USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 634 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 Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 MET CE :methyl -113:sc= -3! (180deg=-8.01!) USER MOD Single : A 22 GLN : amide:sc= 0.414 X(o=0.41,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 25 MET CE :methyl -155:sc= -5.05! (180deg=-8.31!) USER MOD Single : A 27 SER OG : rot 107:sc= 0.647 USER MOD Single : A 36 HIS : no HE2:sc= -5.85! C(o=-5.9!,f=-5.8!) USER MOD Single : A 37 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.24) USER MOD Single : A 43 SER OG : rot 118:sc= 0.355 USER MOD Single : A 45 ASN : amide:sc=-0.00665 X(o=-0.0066,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 36:sc= 0.698 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 86:sc= -0.889! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -49:sc= 0.263 USER MOD Single : A 59 GLN : amide:sc= -1.61! C(o=-1.6!,f=-2.9!) USER MOD Single : A 60 LYS NZ :NH3+ -133:sc= -2.24 (180deg=-5.32!) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot -52:sc= -0.2 USER MOD Single : A 65 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.16) USER MOD Single : A 68 ASN : amide:sc= -1.18 K(o=-1.2,f=-2.9!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00162 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 82:sc= -4.56! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 180:sc= -0.0268 USER MOD Single : A 92 GLN : amide:sc= -0.0417 X(o=-0.042,f=-0.042) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 179:sc= 0 (180deg=-7.58e-06) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 14 -1.916 -3.486 -2.357 1.00 0.00 N ATOM 2 CA GLU A 14 -0.544 -3.201 -1.973 1.00 0.00 C ATOM 3 C GLU A 14 0.230 -2.622 -3.159 1.00 0.00 C ATOM 4 O GLU A 14 1.079 -1.749 -2.984 1.00 0.00 O ATOM 5 CB GLU A 14 0.144 -4.454 -1.428 1.00 0.00 C ATOM 6 CG GLU A 14 -0.641 -5.044 -0.254 1.00 0.00 C ATOM 7 CD GLU A 14 0.094 -6.242 0.350 1.00 0.00 C ATOM 8 OE1 GLU A 14 -0.123 -7.384 -0.081 1.00 0.00 O ATOM 9 OE2 GLU A 14 0.918 -5.954 1.300 1.00 0.00 O ATOM 0 HA GLU A 14 -0.557 -2.458 -1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.234 -5.197 -2.220 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.156 -4.207 -1.106 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.789 -4.280 0.510 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.630 -5.352 -0.592 1.00 0.00 H new ATOM 17 N ASP A 15 -0.090 -3.132 -4.339 1.00 0.00 N ATOM 18 CA ASP A 15 0.565 -2.676 -5.553 1.00 0.00 C ATOM 19 C ASP A 15 2.075 -2.884 -5.422 1.00 0.00 C ATOM 20 O ASP A 15 2.858 -1.996 -5.753 1.00 0.00 O ATOM 21 CB ASP A 15 0.312 -1.186 -5.790 1.00 0.00 C ATOM 22 CG ASP A 15 -1.051 -0.678 -5.313 1.00 0.00 C ATOM 23 OD1 ASP A 15 -2.085 -0.934 -5.947 1.00 0.00 O ATOM 24 OD2 ASP A 15 -1.023 0.019 -4.228 1.00 0.00 O ATOM 0 H ASP A 15 -0.794 -3.856 -4.480 1.00 0.00 H new ATOM 0 HA ASP A 15 0.161 -3.247 -6.389 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.092 -0.616 -5.286 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.406 -0.982 -6.857 1.00 0.00 H new ATOM 30 N GLN A 16 2.437 -4.063 -4.938 1.00 0.00 N ATOM 31 CA GLN A 16 3.840 -4.399 -4.759 1.00 0.00 C ATOM 32 C GLN A 16 4.518 -4.590 -6.117 1.00 0.00 C ATOM 33 O GLN A 16 5.667 -4.193 -6.302 1.00 0.00 O ATOM 34 CB GLN A 16 3.998 -5.647 -3.887 1.00 0.00 C ATOM 35 CG GLN A 16 3.927 -5.290 -2.401 1.00 0.00 C ATOM 36 CD GLN A 16 4.542 -6.396 -1.542 1.00 0.00 C ATOM 37 OE1 GLN A 16 4.519 -7.567 -1.883 1.00 0.00 O ATOM 38 NE2 GLN A 16 5.090 -5.961 -0.411 1.00 0.00 N ATOM 0 H GLN A 16 1.784 -4.797 -4.664 1.00 0.00 H new ATOM 0 HA GLN A 16 4.329 -3.572 -4.244 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.216 -6.366 -4.130 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.952 -6.128 -4.104 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.453 -4.352 -2.223 1.00 0.00 H new ATOM 0 HG3 GLN A 16 2.888 -5.134 -2.110 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.075 -4.966 -0.186 1.00 0.00 H new ATOM 0 HE22 GLN A 16 5.526 -6.622 0.232 1.00 0.00 H new ATOM 47 N GLU A 17 3.777 -5.197 -7.032 1.00 0.00 N ATOM 48 CA GLU A 17 4.292 -5.446 -8.368 1.00 0.00 C ATOM 49 C GLU A 17 4.820 -4.148 -8.983 1.00 0.00 C ATOM 50 O GLU A 17 5.805 -4.161 -9.719 1.00 0.00 O ATOM 51 CB GLU A 17 3.222 -6.079 -9.259 1.00 0.00 C ATOM 52 CG GLU A 17 2.104 -5.081 -9.567 1.00 0.00 C ATOM 53 CD GLU A 17 2.425 -4.267 -10.822 1.00 0.00 C ATOM 54 OE1 GLU A 17 2.487 -3.030 -10.759 1.00 0.00 O ATOM 55 OE2 GLU A 17 2.616 -4.964 -11.890 1.00 0.00 O ATOM 0 H GLU A 17 2.824 -5.524 -6.875 1.00 0.00 H new ATOM 0 HA GLU A 17 5.119 -6.152 -8.292 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.675 -6.422 -10.189 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.805 -6.957 -8.765 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.164 -5.615 -9.706 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.967 -4.410 -8.719 1.00 0.00 H new ATOM 63 N GLN A 18 4.141 -3.057 -8.658 1.00 0.00 N ATOM 64 CA GLN A 18 4.529 -1.754 -9.169 1.00 0.00 C ATOM 65 C GLN A 18 5.980 -1.447 -8.793 1.00 0.00 C ATOM 66 O GLN A 18 6.684 -0.759 -9.530 1.00 0.00 O ATOM 67 CB GLN A 18 3.588 -0.662 -8.657 1.00 0.00 C ATOM 68 CG GLN A 18 3.609 0.557 -9.582 1.00 0.00 C ATOM 69 CD GLN A 18 2.713 1.673 -9.039 1.00 0.00 C ATOM 70 OE1 GLN A 18 1.503 1.664 -9.194 1.00 0.00 O ATOM 71 NE2 GLN A 18 3.373 2.631 -8.394 1.00 0.00 N ATOM 0 H GLN A 18 3.324 -3.049 -8.047 1.00 0.00 H new ATOM 0 HA GLN A 18 4.452 -1.774 -10.256 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.573 -1.054 -8.589 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.883 -0.365 -7.651 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.631 0.923 -9.684 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.273 0.268 -10.578 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.387 2.577 -8.300 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.865 3.419 -7.993 1.00 0.00 H new ATOM 80 N TRP A 19 6.385 -1.972 -7.646 1.00 0.00 N ATOM 81 CA TRP A 19 7.739 -1.763 -7.163 1.00 0.00 C ATOM 82 C TRP A 19 8.707 -2.228 -8.253 1.00 0.00 C ATOM 83 O TRP A 19 9.672 -1.534 -8.568 1.00 0.00 O ATOM 84 CB TRP A 19 7.960 -2.472 -5.825 1.00 0.00 C ATOM 85 CG TRP A 19 9.174 -1.964 -5.045 1.00 0.00 C ATOM 86 CD1 TRP A 19 9.292 -0.821 -4.356 1.00 0.00 C ATOM 87 CD2 TRP A 19 10.444 -2.633 -4.900 1.00 0.00 C ATOM 88 NE1 TRP A 19 10.541 -0.705 -3.780 1.00 0.00 N ATOM 89 CE2 TRP A 19 11.264 -1.842 -4.121 1.00 0.00 C ATOM 90 CE3 TRP A 19 10.887 -3.867 -5.410 1.00 0.00 C ATOM 91 CZ2 TRP A 19 12.576 -2.196 -3.783 1.00 0.00 C ATOM 92 CZ3 TRP A 19 12.200 -4.206 -5.063 1.00 0.00 C ATOM 93 CH2 TRP A 19 13.038 -3.420 -4.280 1.00 0.00 C ATOM 0 H TRP A 19 5.798 -2.542 -7.037 1.00 0.00 H new ATOM 0 HA TRP A 19 7.919 -0.706 -6.965 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.069 -2.350 -5.209 1.00 0.00 H new ATOM 0 HB3 TRP A 19 8.079 -3.540 -6.007 1.00 0.00 H new ATOM 0 HD1 TRP A 19 8.509 -0.083 -4.263 1.00 0.00 H new ATOM 0 HE1 TRP A 19 10.873 0.072 -3.209 1.00 0.00 H new ATOM 0 HE3 TRP A 19 10.263 -4.503 -6.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 13.198 -1.559 -3.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 12.590 -5.144 -5.429 1.00 0.00 H new ATOM 0 HH2 TRP A 19 14.041 -3.753 -4.056 1.00 0.00 H new ATOM 104 N ALA A 20 8.414 -3.400 -8.799 1.00 0.00 N ATOM 105 CA ALA A 20 9.247 -3.965 -9.847 1.00 0.00 C ATOM 106 C ALA A 20 9.244 -3.028 -11.056 1.00 0.00 C ATOM 107 O ALA A 20 10.247 -2.912 -11.758 1.00 0.00 O ATOM 108 CB ALA A 20 8.746 -5.368 -10.195 1.00 0.00 C ATOM 0 H ALA A 20 7.612 -3.973 -8.535 1.00 0.00 H new ATOM 0 HA ALA A 20 10.278 -4.061 -9.508 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.370 -5.793 -10.981 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.796 -6.002 -9.310 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.714 -5.310 -10.542 1.00 0.00 H new ATOM 114 N MET A 21 8.104 -2.383 -11.262 1.00 0.00 N ATOM 115 CA MET A 21 7.957 -1.460 -12.375 1.00 0.00 C ATOM 116 C MET A 21 8.972 -0.319 -12.278 1.00 0.00 C ATOM 117 O MET A 21 9.299 0.313 -13.281 1.00 0.00 O ATOM 118 CB MET A 21 6.540 -0.884 -12.376 1.00 0.00 C ATOM 119 CG MET A 21 5.823 -1.195 -13.692 1.00 0.00 C ATOM 120 SD MET A 21 5.664 0.292 -14.666 1.00 0.00 S ATOM 121 CE MET A 21 4.309 1.079 -13.812 1.00 0.00 C ATOM 0 H MET A 21 7.274 -2.482 -10.677 1.00 0.00 H new ATOM 0 HA MET A 21 8.138 -2.005 -13.302 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.974 -1.299 -11.542 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.582 0.195 -12.227 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.380 -1.947 -14.250 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.837 -1.614 -13.489 1.00 0.00 H new ATOM 0 HE1 MET A 21 3.436 1.109 -14.464 1.00 0.00 H new ATOM 0 HE2 MET A 21 4.070 0.514 -12.911 1.00 0.00 H new ATOM 0 HE3 MET A 21 4.592 2.095 -13.539 1.00 0.00 H new ATOM 131 N GLN A 22 9.443 -0.091 -11.061 1.00 0.00 N ATOM 132 CA GLN A 22 10.415 0.963 -10.820 1.00 0.00 C ATOM 133 C GLN A 22 11.610 0.809 -11.763 1.00 0.00 C ATOM 134 O GLN A 22 12.079 1.787 -12.342 1.00 0.00 O ATOM 135 CB GLN A 22 10.866 0.969 -9.358 1.00 0.00 C ATOM 136 CG GLN A 22 12.090 0.072 -9.159 1.00 0.00 C ATOM 137 CD GLN A 22 12.526 0.057 -7.692 1.00 0.00 C ATOM 138 OE1 GLN A 22 13.014 1.037 -7.153 1.00 0.00 O ATOM 139 NE2 GLN A 22 12.322 -1.105 -7.079 1.00 0.00 N ATOM 0 H GLN A 22 9.170 -0.618 -10.231 1.00 0.00 H new ATOM 0 HA GLN A 22 9.939 1.923 -11.023 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.103 1.988 -9.051 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.051 0.625 -8.721 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.859 -0.942 -9.484 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.911 0.427 -9.782 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.909 -1.885 -7.590 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.578 -1.216 -6.098 1.00 0.00 H new ATOM 148 N THR A 23 12.069 -0.428 -11.887 1.00 0.00 N ATOM 149 CA THR A 23 13.200 -0.723 -12.750 1.00 0.00 C ATOM 150 C THR A 23 12.767 -0.722 -14.217 1.00 0.00 C ATOM 151 O THR A 23 13.217 0.113 -15.000 1.00 0.00 O ATOM 152 CB THR A 23 13.807 -2.053 -12.296 1.00 0.00 C ATOM 153 OG1 THR A 23 13.739 -1.998 -10.874 1.00 0.00 O ATOM 154 CG2 THR A 23 15.304 -2.145 -12.594 1.00 0.00 C ATOM 0 H THR A 23 11.678 -1.237 -11.404 1.00 0.00 H new ATOM 0 HA THR A 23 13.969 0.046 -12.671 1.00 0.00 H new ATOM 0 HB THR A 23 13.288 -2.876 -12.788 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.111 -2.823 -10.497 1.00 0.00 H new ATOM 0 HG21 THR A 23 15.685 -3.107 -12.252 1.00 0.00 H new ATOM 0 HG22 THR A 23 15.468 -2.051 -13.667 1.00 0.00 H new ATOM 0 HG23 THR A 23 15.828 -1.343 -12.075 1.00 0.00 H new ATOM 162 N LEU A 24 11.898 -1.667 -14.545 1.00 0.00 N ATOM 163 CA LEU A 24 11.399 -1.786 -15.904 1.00 0.00 C ATOM 164 C LEU A 24 11.211 -0.388 -16.498 1.00 0.00 C ATOM 165 O LEU A 24 11.736 -0.090 -17.569 1.00 0.00 O ATOM 166 CB LEU A 24 10.132 -2.643 -15.937 1.00 0.00 C ATOM 167 CG LEU A 24 9.106 -2.283 -17.013 1.00 0.00 C ATOM 168 CD1 LEU A 24 8.472 -3.541 -17.609 1.00 0.00 C ATOM 169 CD2 LEU A 24 8.054 -1.316 -16.465 1.00 0.00 C ATOM 0 H LEU A 24 11.527 -2.358 -13.892 1.00 0.00 H new ATOM 0 HA LEU A 24 12.124 -2.305 -16.531 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.425 -3.684 -16.076 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.647 -2.576 -14.963 1.00 0.00 H new ATOM 0 HG LEU A 24 9.625 -1.770 -17.822 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.747 -3.257 -18.371 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.247 -4.161 -18.059 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.970 -4.103 -16.822 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.337 -1.076 -17.250 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.534 -1.781 -15.627 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.541 -0.402 -16.127 1.00 0.00 H new ATOM 181 N MET A 25 10.461 0.431 -15.775 1.00 0.00 N ATOM 182 CA MET A 25 10.198 1.790 -16.217 1.00 0.00 C ATOM 183 C MET A 25 11.437 2.671 -16.048 1.00 0.00 C ATOM 184 O MET A 25 11.680 3.567 -16.855 1.00 0.00 O ATOM 185 CB MET A 25 9.040 2.375 -15.405 1.00 0.00 C ATOM 186 CG MET A 25 9.547 3.401 -14.389 1.00 0.00 C ATOM 187 SD MET A 25 8.185 4.019 -13.415 1.00 0.00 S ATOM 188 CE MET A 25 7.043 4.451 -14.717 1.00 0.00 C ATOM 0 H MET A 25 10.027 0.180 -14.887 1.00 0.00 H new ATOM 0 HA MET A 25 9.936 1.764 -17.275 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.322 2.846 -16.076 1.00 0.00 H new ATOM 0 HB3 MET A 25 8.513 1.574 -14.887 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.292 2.943 -13.738 1.00 0.00 H new ATOM 0 HG3 MET A 25 10.039 4.225 -14.906 1.00 0.00 H new ATOM 0 HE1 MET A 25 6.364 5.226 -14.363 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.598 4.821 -15.579 1.00 0.00 H new ATOM 0 HE3 MET A 25 6.470 3.570 -15.005 1.00 0.00 H new ATOM 198 N GLY A 26 12.187 2.386 -14.994 1.00 0.00 N ATOM 199 CA GLY A 26 13.395 3.142 -14.709 1.00 0.00 C ATOM 200 C GLY A 26 14.454 2.911 -15.789 1.00 0.00 C ATOM 201 O GLY A 26 15.483 3.585 -15.810 1.00 0.00 O ATOM 0 H GLY A 26 11.982 1.642 -14.327 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.158 4.204 -14.649 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.791 2.848 -13.737 1.00 0.00 H new ATOM 205 N SER A 27 14.166 1.955 -16.660 1.00 0.00 N ATOM 206 CA SER A 27 15.080 1.626 -17.741 1.00 0.00 C ATOM 207 C SER A 27 15.234 2.825 -18.679 1.00 0.00 C ATOM 208 O SER A 27 16.084 2.816 -19.569 1.00 0.00 O ATOM 209 CB SER A 27 14.596 0.401 -18.519 1.00 0.00 C ATOM 210 OG SER A 27 14.456 -0.743 -17.681 1.00 0.00 O ATOM 0 H SER A 27 13.312 1.397 -16.639 1.00 0.00 H new ATOM 0 HA SER A 27 16.050 1.386 -17.307 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.639 0.625 -18.989 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.300 0.179 -19.321 1.00 0.00 H new ATOM 0 HG SER A 27 13.505 -0.924 -17.530 1.00 0.00 H new ATOM 216 N GLY A 28 14.399 3.827 -18.448 1.00 0.00 N ATOM 217 CA GLY A 28 14.432 5.031 -19.262 1.00 0.00 C ATOM 218 C GLY A 28 13.347 4.993 -20.340 1.00 0.00 C ATOM 219 O GLY A 28 13.263 5.894 -21.173 1.00 0.00 O ATOM 0 H GLY A 28 13.696 3.830 -17.709 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.290 5.907 -18.629 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.411 5.131 -19.730 1.00 0.00 H new ATOM 223 N VAL A 29 12.544 3.940 -20.290 1.00 0.00 N ATOM 224 CA VAL A 29 11.468 3.773 -21.252 1.00 0.00 C ATOM 225 C VAL A 29 10.343 4.757 -20.928 1.00 0.00 C ATOM 226 O VAL A 29 9.826 5.430 -21.818 1.00 0.00 O ATOM 227 CB VAL A 29 11.002 2.316 -21.268 1.00 0.00 C ATOM 228 CG1 VAL A 29 9.692 2.168 -22.044 1.00 0.00 C ATOM 229 CG2 VAL A 29 12.085 1.400 -21.842 1.00 0.00 C ATOM 0 H VAL A 29 12.617 3.194 -19.598 1.00 0.00 H new ATOM 0 HA VAL A 29 11.818 3.999 -22.259 1.00 0.00 H new ATOM 0 HB VAL A 29 10.818 2.012 -20.238 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.383 1.123 -22.040 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.920 2.777 -21.574 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.839 2.499 -23.072 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.728 0.370 -21.842 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.315 1.704 -22.863 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.984 1.472 -21.230 1.00 0.00 H new ATOM 239 N LEU A 30 9.995 4.810 -19.650 1.00 0.00 N ATOM 240 CA LEU A 30 8.940 5.700 -19.197 1.00 0.00 C ATOM 241 C LEU A 30 9.566 6.948 -18.571 1.00 0.00 C ATOM 242 O LEU A 30 10.788 7.055 -18.480 1.00 0.00 O ATOM 243 CB LEU A 30 7.978 4.961 -18.266 1.00 0.00 C ATOM 244 CG LEU A 30 7.249 3.759 -18.871 1.00 0.00 C ATOM 245 CD1 LEU A 30 6.450 3.008 -17.804 1.00 0.00 C ATOM 246 CD2 LEU A 30 6.371 4.187 -20.049 1.00 0.00 C ATOM 0 H LEU A 30 10.426 4.250 -18.914 1.00 0.00 H new ATOM 0 HA LEU A 30 8.336 6.035 -20.040 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.537 4.621 -17.394 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.232 5.671 -17.909 1.00 0.00 H new ATOM 0 HG LEU A 30 7.996 3.067 -19.260 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.942 2.159 -18.261 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.126 2.651 -17.027 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.712 3.678 -17.363 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.864 3.314 -20.461 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.630 4.909 -19.707 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.993 4.643 -20.820 1.00 0.00 H new ATOM 258 N ALA A 31 8.700 7.860 -18.154 1.00 0.00 N ATOM 259 CA ALA A 31 9.152 9.095 -17.538 1.00 0.00 C ATOM 260 C ALA A 31 8.490 9.249 -16.168 1.00 0.00 C ATOM 261 O ALA A 31 7.276 9.099 -16.040 1.00 0.00 O ATOM 262 CB ALA A 31 8.847 10.271 -18.469 1.00 0.00 C ATOM 0 H ALA A 31 7.687 7.768 -18.231 1.00 0.00 H new ATOM 0 HA ALA A 31 10.231 9.074 -17.382 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.186 11.198 -18.007 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.364 10.128 -19.418 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.773 10.326 -18.646 1.00 0.00 H new ATOM 268 N ARG A 32 9.317 9.548 -15.177 1.00 0.00 N ATOM 269 CA ARG A 32 8.828 9.723 -13.820 1.00 0.00 C ATOM 270 C ARG A 32 9.260 11.085 -13.272 1.00 0.00 C ATOM 271 O ARG A 32 10.277 11.633 -13.693 1.00 0.00 O ATOM 272 CB ARG A 32 9.351 8.620 -12.898 1.00 0.00 C ATOM 273 CG ARG A 32 10.803 8.270 -13.231 1.00 0.00 C ATOM 274 CD ARG A 32 11.336 7.190 -12.288 1.00 0.00 C ATOM 275 NE ARG A 32 11.768 7.800 -11.011 1.00 0.00 N ATOM 276 CZ ARG A 32 12.372 7.127 -10.023 1.00 0.00 C ATOM 277 NH1 ARG A 32 12.620 5.817 -10.159 1.00 0.00 N ATOM 278 NH2 ARG A 32 12.729 7.763 -8.899 1.00 0.00 N ATOM 0 H ARG A 32 10.323 9.674 -15.287 1.00 0.00 H new ATOM 0 HA ARG A 32 7.740 9.668 -13.850 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.280 8.945 -11.860 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.727 7.732 -12.997 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.870 7.923 -14.262 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.423 9.163 -13.154 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.563 6.445 -12.101 1.00 0.00 H new ATOM 0 HD3 ARG A 32 12.173 6.670 -12.754 1.00 0.00 H new ATOM 0 HE ARG A 32 11.595 8.796 -10.875 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.349 5.333 -11.015 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.080 5.304 -9.407 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.541 8.760 -8.795 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.189 7.250 -8.147 1.00 0.00 H new ATOM 292 N CYS A 33 8.466 11.591 -12.340 1.00 0.00 N ATOM 293 CA CYS A 33 8.754 12.878 -11.730 1.00 0.00 C ATOM 294 C CYS A 33 9.633 12.640 -10.500 1.00 0.00 C ATOM 295 O CYS A 33 9.384 11.719 -9.724 1.00 0.00 O ATOM 296 CB CYS A 33 7.473 13.637 -11.378 1.00 0.00 C ATOM 297 SG CYS A 33 7.813 15.433 -11.294 1.00 0.00 S ATOM 0 H CYS A 33 7.623 11.133 -11.992 1.00 0.00 H new ATOM 0 HA CYS A 33 9.288 13.509 -12.441 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.706 13.438 -12.126 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.084 13.287 -10.422 1.00 0.00 H new ATOM 302 N ARG A 34 10.642 13.488 -10.360 1.00 0.00 N ATOM 303 CA ARG A 34 11.558 13.381 -9.238 1.00 0.00 C ATOM 304 C ARG A 34 10.823 13.658 -7.924 1.00 0.00 C ATOM 305 O ARG A 34 11.365 13.425 -6.845 1.00 0.00 O ATOM 306 CB ARG A 34 12.721 14.365 -9.381 1.00 0.00 C ATOM 307 CG ARG A 34 13.742 13.863 -10.404 1.00 0.00 C ATOM 308 CD ARG A 34 14.237 12.461 -10.041 1.00 0.00 C ATOM 309 NE ARG A 34 15.525 12.189 -10.716 1.00 0.00 N ATOM 310 CZ ARG A 34 16.700 12.704 -10.328 1.00 0.00 C ATOM 311 NH1 ARG A 34 16.756 13.522 -9.268 1.00 0.00 N ATOM 312 NH2 ARG A 34 17.819 12.403 -11.001 1.00 0.00 N ATOM 0 H ARG A 34 10.845 14.252 -11.005 1.00 0.00 H new ATOM 0 HA ARG A 34 11.955 12.366 -9.229 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.342 15.339 -9.689 1.00 0.00 H new ATOM 0 HB3 ARG A 34 13.206 14.502 -8.415 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.291 13.848 -11.396 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.586 14.551 -10.448 1.00 0.00 H new ATOM 0 HD2 ARG A 34 14.358 12.377 -8.961 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.497 11.717 -10.337 1.00 0.00 H new ATOM 0 HE ARG A 34 15.518 11.571 -11.527 1.00 0.00 H new ATOM 0 HH11 ARG A 34 15.904 13.753 -8.756 1.00 0.00 H new ATOM 0 HH12 ARG A 34 17.650 13.914 -8.973 1.00 0.00 H new ATOM 0 HH21 ARG A 34 17.777 11.782 -11.809 1.00 0.00 H new ATOM 0 HH22 ARG A 34 18.713 12.795 -10.705 1.00 0.00 H new ATOM 326 N ILE A 35 9.601 14.151 -8.060 1.00 0.00 N ATOM 327 CA ILE A 35 8.787 14.462 -6.897 1.00 0.00 C ATOM 328 C ILE A 35 7.672 13.422 -6.768 1.00 0.00 C ATOM 329 O ILE A 35 6.899 13.451 -5.811 1.00 0.00 O ATOM 330 CB ILE A 35 8.277 15.903 -6.970 1.00 0.00 C ATOM 331 CG1 ILE A 35 9.438 16.888 -7.122 1.00 0.00 C ATOM 332 CG2 ILE A 35 7.398 16.235 -5.763 1.00 0.00 C ATOM 333 CD1 ILE A 35 8.924 18.311 -7.350 1.00 0.00 C ATOM 0 H ILE A 35 9.155 14.343 -8.957 1.00 0.00 H new ATOM 0 HA ILE A 35 9.385 14.405 -5.987 1.00 0.00 H new ATOM 0 HB ILE A 35 7.653 16.000 -7.859 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.061 16.862 -6.228 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.068 16.587 -7.959 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.049 17.265 -5.839 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.541 15.562 -5.741 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.977 16.115 -4.847 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.770 18.991 -7.455 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.321 18.339 -8.258 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.315 18.618 -6.500 1.00 0.00 H new ATOM 345 N HIS A 36 7.625 12.527 -7.744 1.00 0.00 N ATOM 346 CA HIS A 36 6.618 11.480 -7.751 1.00 0.00 C ATOM 347 C HIS A 36 7.219 10.194 -8.322 1.00 0.00 C ATOM 348 O HIS A 36 7.588 10.145 -9.495 1.00 0.00 O ATOM 349 CB HIS A 36 5.366 11.935 -8.505 1.00 0.00 C ATOM 350 CG HIS A 36 5.125 13.425 -8.452 1.00 0.00 C ATOM 351 ND1 HIS A 36 4.857 14.099 -7.274 1.00 0.00 N ATOM 352 CD2 HIS A 36 5.116 14.362 -9.443 1.00 0.00 C ATOM 353 CE1 HIS A 36 4.694 15.384 -7.555 1.00 0.00 C ATOM 354 NE2 HIS A 36 4.854 15.544 -8.900 1.00 0.00 N ATOM 0 H HIS A 36 8.268 12.506 -8.535 1.00 0.00 H new ATOM 0 HA HIS A 36 6.300 11.269 -6.730 1.00 0.00 H new ATOM 0 HB2 HIS A 36 5.450 11.628 -9.547 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.498 11.422 -8.091 1.00 0.00 H new ATOM 0 HD1 HIS A 36 4.795 13.679 -6.347 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.292 14.174 -10.492 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.473 16.167 -6.844 1.00 0.00 H new ATOM 362 N ASN A 37 7.298 9.185 -7.467 1.00 0.00 N ATOM 363 CA ASN A 37 7.848 7.903 -7.872 1.00 0.00 C ATOM 364 C ASN A 37 6.704 6.955 -8.239 1.00 0.00 C ATOM 365 O ASN A 37 6.939 5.865 -8.758 1.00 0.00 O ATOM 366 CB ASN A 37 8.646 7.262 -6.735 1.00 0.00 C ATOM 367 CG ASN A 37 9.685 6.280 -7.279 1.00 0.00 C ATOM 368 OD1 ASN A 37 9.595 5.797 -8.396 1.00 0.00 O ATOM 369 ND2 ASN A 37 10.673 6.012 -6.431 1.00 0.00 N ATOM 0 H ASN A 37 6.990 9.230 -6.496 1.00 0.00 H new ATOM 0 HA ASN A 37 8.506 8.073 -8.724 1.00 0.00 H new ATOM 0 HB2 ASN A 37 9.144 8.038 -6.153 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.968 6.742 -6.059 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.416 5.367 -6.701 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.688 6.451 -5.510 1.00 0.00 H new ATOM 376 N ASP A 38 5.491 7.406 -7.956 1.00 0.00 N ATOM 377 CA ASP A 38 4.310 6.612 -8.250 1.00 0.00 C ATOM 378 C ASP A 38 3.714 7.067 -9.583 1.00 0.00 C ATOM 379 O ASP A 38 2.798 6.434 -10.107 1.00 0.00 O ATOM 380 CB ASP A 38 3.242 6.792 -7.169 1.00 0.00 C ATOM 381 CG ASP A 38 2.650 8.199 -7.073 1.00 0.00 C ATOM 382 OD1 ASP A 38 1.432 8.390 -7.205 1.00 0.00 O ATOM 383 OD2 ASP A 38 3.507 9.137 -6.849 1.00 0.00 O ATOM 0 H ASP A 38 5.300 8.311 -7.526 1.00 0.00 H new ATOM 0 HA ASP A 38 4.609 5.565 -8.290 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.433 6.086 -7.357 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.676 6.530 -6.204 1.00 0.00 H new ATOM 389 N VAL A 39 4.257 8.162 -10.095 1.00 0.00 N ATOM 390 CA VAL A 39 3.791 8.709 -11.358 1.00 0.00 C ATOM 391 C VAL A 39 4.505 8.001 -12.511 1.00 0.00 C ATOM 392 O VAL A 39 5.724 7.835 -12.483 1.00 0.00 O ATOM 393 CB VAL A 39 3.987 10.226 -11.375 1.00 0.00 C ATOM 394 CG1 VAL A 39 5.357 10.595 -11.946 1.00 0.00 C ATOM 395 CG2 VAL A 39 2.865 10.915 -12.153 1.00 0.00 C ATOM 0 H VAL A 39 5.016 8.685 -9.658 1.00 0.00 H new ATOM 0 HA VAL A 39 2.723 8.531 -11.480 1.00 0.00 H new ATOM 0 HB VAL A 39 3.947 10.581 -10.345 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.471 11.679 -11.947 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.139 10.149 -11.332 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.439 10.221 -12.966 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.028 11.993 -12.150 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.859 10.552 -13.181 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.907 10.692 -11.684 1.00 0.00 H new ATOM 405 N ILE A 40 3.716 7.602 -13.498 1.00 0.00 N ATOM 406 CA ILE A 40 4.258 6.915 -14.658 1.00 0.00 C ATOM 407 C ILE A 40 3.816 7.644 -15.929 1.00 0.00 C ATOM 408 O ILE A 40 2.622 7.758 -16.200 1.00 0.00 O ATOM 409 CB ILE A 40 3.873 5.435 -14.633 1.00 0.00 C ATOM 410 CG1 ILE A 40 3.985 4.815 -16.027 1.00 0.00 C ATOM 411 CG2 ILE A 40 2.480 5.241 -14.030 1.00 0.00 C ATOM 412 CD1 ILE A 40 3.754 3.304 -15.976 1.00 0.00 C ATOM 0 H ILE A 40 2.706 7.741 -13.518 1.00 0.00 H new ATOM 0 HA ILE A 40 5.348 6.937 -14.639 1.00 0.00 H new ATOM 0 HB ILE A 40 4.579 4.910 -13.990 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.256 5.276 -16.693 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.971 5.022 -16.443 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.231 4.180 -14.024 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.469 5.622 -13.009 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.746 5.783 -14.627 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.839 2.889 -16.980 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.500 2.844 -15.328 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.758 3.101 -15.583 1.00 0.00 H new ATOM 424 N LEU A 41 4.804 8.119 -16.674 1.00 0.00 N ATOM 425 CA LEU A 41 4.532 8.833 -17.909 1.00 0.00 C ATOM 426 C LEU A 41 5.018 7.997 -19.095 1.00 0.00 C ATOM 427 O LEU A 41 5.922 7.176 -18.950 1.00 0.00 O ATOM 428 CB LEU A 41 5.136 10.238 -17.860 1.00 0.00 C ATOM 429 CG LEU A 41 5.076 10.947 -16.505 1.00 0.00 C ATOM 430 CD1 LEU A 41 6.181 11.998 -16.387 1.00 0.00 C ATOM 431 CD2 LEU A 41 3.689 11.543 -16.259 1.00 0.00 C ATOM 0 H LEU A 41 5.793 8.023 -16.446 1.00 0.00 H new ATOM 0 HA LEU A 41 3.459 8.976 -18.037 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.179 10.174 -18.169 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.623 10.858 -18.595 1.00 0.00 H new ATOM 0 HG LEU A 41 5.251 10.207 -15.724 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.116 12.487 -15.415 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.154 11.516 -16.486 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.062 12.741 -17.176 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.674 12.041 -15.289 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.460 12.266 -17.042 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.944 10.747 -16.270 1.00 0.00 H new ATOM 443 N ASP A 42 4.395 8.234 -20.240 1.00 0.00 N ATOM 444 CA ASP A 42 4.753 7.513 -21.450 1.00 0.00 C ATOM 445 C ASP A 42 5.730 8.356 -22.271 1.00 0.00 C ATOM 446 O ASP A 42 5.546 9.564 -22.413 1.00 0.00 O ATOM 447 CB ASP A 42 3.520 7.242 -22.314 1.00 0.00 C ATOM 448 CG ASP A 42 3.674 6.098 -23.319 1.00 0.00 C ATOM 449 OD1 ASP A 42 3.195 6.183 -24.460 1.00 0.00 O ATOM 450 OD2 ASP A 42 4.325 5.073 -22.884 1.00 0.00 O ATOM 0 H ASP A 42 3.645 8.915 -20.356 1.00 0.00 H new ATOM 0 HA ASP A 42 5.204 6.565 -21.157 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.678 7.019 -21.659 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.269 8.152 -22.858 1.00 0.00 H new ATOM 456 N SER A 43 6.748 7.686 -22.791 1.00 0.00 N ATOM 457 CA SER A 43 7.754 8.358 -23.595 1.00 0.00 C ATOM 458 C SER A 43 7.585 7.982 -25.068 1.00 0.00 C ATOM 459 O SER A 43 7.729 8.829 -25.949 1.00 0.00 O ATOM 460 CB SER A 43 9.165 8.008 -23.117 1.00 0.00 C ATOM 461 OG SER A 43 9.332 8.250 -21.722 1.00 0.00 O ATOM 0 H SER A 43 6.898 6.684 -22.671 1.00 0.00 H new ATOM 0 HA SER A 43 7.617 9.434 -23.483 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.370 6.959 -23.330 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.893 8.595 -23.676 1.00 0.00 H new ATOM 0 HG SER A 43 9.535 7.407 -21.266 1.00 0.00 H new ATOM 467 N GLY A 44 7.280 6.712 -25.290 1.00 0.00 N ATOM 468 CA GLY A 44 7.089 6.214 -26.642 1.00 0.00 C ATOM 469 C GLY A 44 8.314 5.430 -27.116 1.00 0.00 C ATOM 470 O GLY A 44 8.273 4.776 -28.157 1.00 0.00 O ATOM 0 H GLY A 44 7.160 6.013 -24.557 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.208 5.574 -26.676 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.903 7.049 -27.318 1.00 0.00 H new ATOM 474 N ASN A 45 9.376 5.521 -26.329 1.00 0.00 N ATOM 475 CA ASN A 45 10.611 4.829 -26.655 1.00 0.00 C ATOM 476 C ASN A 45 10.359 3.320 -26.658 1.00 0.00 C ATOM 477 O ASN A 45 9.311 2.861 -26.205 1.00 0.00 O ATOM 478 CB ASN A 45 11.698 5.124 -25.619 1.00 0.00 C ATOM 479 CG ASN A 45 12.361 6.476 -25.891 1.00 0.00 C ATOM 480 OD1 ASN A 45 11.782 7.532 -25.691 1.00 0.00 O ATOM 481 ND2 ASN A 45 13.603 6.386 -26.356 1.00 0.00 N ATOM 0 H ASN A 45 9.406 6.064 -25.466 1.00 0.00 H new ATOM 0 HA ASN A 45 10.943 5.174 -27.634 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.263 5.123 -24.620 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.450 4.335 -25.641 1.00 0.00 H new ATOM 0 HD21 ASN A 45 14.131 7.233 -26.568 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.028 5.470 -26.501 1.00 0.00 H new ATOM 488 N ASP A 46 11.337 2.590 -27.173 1.00 0.00 N ATOM 489 CA ASP A 46 11.234 1.142 -27.241 1.00 0.00 C ATOM 490 C ASP A 46 10.803 0.601 -25.877 1.00 0.00 C ATOM 491 O ASP A 46 11.611 0.518 -24.954 1.00 0.00 O ATOM 492 CB ASP A 46 12.582 0.510 -27.596 1.00 0.00 C ATOM 493 CG ASP A 46 12.542 -0.998 -27.849 1.00 0.00 C ATOM 494 OD1 ASP A 46 11.466 -1.588 -28.026 1.00 0.00 O ATOM 495 OD2 ASP A 46 13.694 -1.580 -27.861 1.00 0.00 O ATOM 0 H ASP A 46 12.205 2.974 -27.547 1.00 0.00 H new ATOM 0 HA ASP A 46 10.504 0.892 -28.011 1.00 0.00 H new ATOM 0 HB2 ASP A 46 12.974 1.002 -28.486 1.00 0.00 H new ATOM 0 HB3 ASP A 46 13.284 0.709 -26.786 1.00 0.00 H new ATOM 501 N ALA A 47 9.529 0.247 -25.792 1.00 0.00 N ATOM 502 CA ALA A 47 8.980 -0.284 -24.556 1.00 0.00 C ATOM 503 C ALA A 47 9.422 -1.739 -24.390 1.00 0.00 C ATOM 504 O ALA A 47 9.248 -2.327 -23.323 1.00 0.00 O ATOM 505 CB ALA A 47 7.457 -0.135 -24.568 1.00 0.00 C ATOM 0 H ALA A 47 8.861 0.318 -26.560 1.00 0.00 H new ATOM 0 HA ALA A 47 9.355 0.274 -23.698 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.045 -0.533 -23.641 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.195 0.919 -24.658 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.044 -0.685 -25.414 1.00 0.00 H new ATOM 511 N SER A 48 9.986 -2.279 -25.461 1.00 0.00 N ATOM 512 CA SER A 48 10.455 -3.654 -25.447 1.00 0.00 C ATOM 513 C SER A 48 11.577 -3.814 -24.419 1.00 0.00 C ATOM 514 O SER A 48 11.644 -4.825 -23.721 1.00 0.00 O ATOM 515 CB SER A 48 10.939 -4.085 -26.833 1.00 0.00 C ATOM 516 OG SER A 48 10.855 -5.496 -27.012 1.00 0.00 O ATOM 0 H SER A 48 10.129 -1.789 -26.344 1.00 0.00 H new ATOM 0 HA SER A 48 9.621 -4.297 -25.167 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.342 -3.586 -27.597 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.971 -3.762 -26.973 1.00 0.00 H new ATOM 0 HG SER A 48 11.171 -5.731 -27.909 1.00 0.00 H new ATOM 522 N SER A 49 12.429 -2.802 -24.359 1.00 0.00 N ATOM 523 CA SER A 49 13.545 -2.818 -23.428 1.00 0.00 C ATOM 524 C SER A 49 13.027 -2.896 -21.991 1.00 0.00 C ATOM 525 O SER A 49 13.407 -3.791 -21.238 1.00 0.00 O ATOM 526 CB SER A 49 14.429 -1.582 -23.607 1.00 0.00 C ATOM 527 OG SER A 49 15.247 -1.674 -24.770 1.00 0.00 O ATOM 0 H SER A 49 12.370 -1.965 -24.940 1.00 0.00 H new ATOM 0 HA SER A 49 14.152 -3.699 -23.637 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.801 -0.694 -23.675 1.00 0.00 H new ATOM 0 HB3 SER A 49 15.061 -1.458 -22.728 1.00 0.00 H new ATOM 0 HG SER A 49 15.795 -0.865 -24.850 1.00 0.00 H new ATOM 533 N ALA A 50 12.166 -1.947 -21.654 1.00 0.00 N ATOM 534 CA ALA A 50 11.591 -1.898 -20.320 1.00 0.00 C ATOM 535 C ALA A 50 10.857 -3.210 -20.037 1.00 0.00 C ATOM 536 O ALA A 50 11.083 -3.842 -19.006 1.00 0.00 O ATOM 537 CB ALA A 50 10.673 -0.679 -20.204 1.00 0.00 C ATOM 0 H ALA A 50 11.853 -1.206 -22.281 1.00 0.00 H new ATOM 0 HA ALA A 50 12.373 -1.790 -19.569 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.242 -0.642 -19.204 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.249 0.229 -20.385 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.874 -0.754 -20.941 1.00 0.00 H new ATOM 543 N TYR A 51 9.991 -3.580 -20.969 1.00 0.00 N ATOM 544 CA TYR A 51 9.222 -4.805 -20.833 1.00 0.00 C ATOM 545 C TYR A 51 10.138 -5.999 -20.558 1.00 0.00 C ATOM 546 O TYR A 51 9.767 -6.915 -19.825 1.00 0.00 O ATOM 547 CB TYR A 51 8.520 -5.014 -22.176 1.00 0.00 C ATOM 548 CG TYR A 51 7.438 -3.976 -22.481 1.00 0.00 C ATOM 549 CD1 TYR A 51 7.139 -2.999 -21.554 1.00 0.00 C ATOM 550 CD2 TYR A 51 6.762 -4.017 -23.684 1.00 0.00 C ATOM 551 CE1 TYR A 51 6.121 -2.022 -21.841 1.00 0.00 C ATOM 552 CE2 TYR A 51 5.744 -3.040 -23.971 1.00 0.00 C ATOM 553 CZ TYR A 51 5.473 -2.091 -23.035 1.00 0.00 C ATOM 554 OH TYR A 51 4.512 -1.168 -23.306 1.00 0.00 O ATOM 0 H TYR A 51 9.805 -3.052 -21.822 1.00 0.00 H new ATOM 0 HA TYR A 51 8.520 -4.728 -20.003 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.265 -4.991 -22.971 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.070 -6.007 -22.189 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.668 -2.967 -20.613 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.997 -4.782 -24.410 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.877 -1.252 -21.124 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.208 -3.060 -24.908 1.00 0.00 H new ATOM 0 HH TYR A 51 4.776 -0.301 -22.933 1.00 0.00 H new ATOM 564 N LYS A 52 11.316 -5.952 -21.162 1.00 0.00 N ATOM 565 CA LYS A 52 12.288 -7.019 -20.991 1.00 0.00 C ATOM 566 C LYS A 52 12.784 -7.024 -19.544 1.00 0.00 C ATOM 567 O LYS A 52 12.814 -8.071 -18.898 1.00 0.00 O ATOM 568 CB LYS A 52 13.409 -6.893 -22.025 1.00 0.00 C ATOM 569 CG LYS A 52 14.031 -8.258 -22.328 1.00 0.00 C ATOM 570 CD LYS A 52 15.104 -8.612 -21.297 1.00 0.00 C ATOM 571 CE LYS A 52 16.380 -7.802 -21.533 1.00 0.00 C ATOM 572 NZ LYS A 52 17.123 -7.623 -20.266 1.00 0.00 N ATOM 0 H LYS A 52 11.620 -5.192 -21.771 1.00 0.00 H new ATOM 0 HA LYS A 52 11.825 -7.989 -21.173 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.015 -6.457 -22.943 1.00 0.00 H new ATOM 0 HB3 LYS A 52 14.177 -6.214 -21.654 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.255 -9.023 -22.328 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.469 -8.249 -23.326 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.727 -8.418 -20.293 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.330 -9.677 -21.353 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.011 -8.310 -22.262 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.127 -6.829 -21.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.986 -7.071 -20.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.525 -7.118 -19.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 17.381 -8.554 -19.880 1.00 0.00 H new ATOM 586 N LEU A 53 13.162 -5.843 -19.077 1.00 0.00 N ATOM 587 CA LEU A 53 13.655 -5.698 -17.718 1.00 0.00 C ATOM 588 C LEU A 53 12.584 -6.179 -16.737 1.00 0.00 C ATOM 589 O LEU A 53 12.870 -6.965 -15.836 1.00 0.00 O ATOM 590 CB LEU A 53 14.120 -4.262 -17.467 1.00 0.00 C ATOM 591 CG LEU A 53 14.815 -4.007 -16.128 1.00 0.00 C ATOM 592 CD1 LEU A 53 13.792 -3.758 -15.018 1.00 0.00 C ATOM 593 CD2 LEU A 53 15.771 -5.149 -15.780 1.00 0.00 C ATOM 0 H LEU A 53 13.137 -4.977 -19.616 1.00 0.00 H new ATOM 0 HA LEU A 53 14.533 -6.324 -17.563 1.00 0.00 H new ATOM 0 HB2 LEU A 53 14.802 -3.977 -18.268 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.254 -3.603 -17.536 1.00 0.00 H new ATOM 0 HG LEU A 53 15.415 -3.102 -16.222 1.00 0.00 H new ATOM 0 HD11 LEU A 53 14.312 -3.580 -14.077 1.00 0.00 H new ATOM 0 HD12 LEU A 53 13.187 -2.887 -15.269 1.00 0.00 H new ATOM 0 HD13 LEU A 53 13.146 -4.630 -14.916 1.00 0.00 H new ATOM 0 HD21 LEU A 53 16.252 -4.942 -14.824 1.00 0.00 H new ATOM 0 HD22 LEU A 53 15.213 -6.083 -15.711 1.00 0.00 H new ATOM 0 HD23 LEU A 53 16.531 -5.237 -16.557 1.00 0.00 H new ATOM 605 N GLY A 54 11.372 -5.685 -16.946 1.00 0.00 N ATOM 606 CA GLY A 54 10.256 -6.054 -16.091 1.00 0.00 C ATOM 607 C GLY A 54 9.921 -7.540 -16.238 1.00 0.00 C ATOM 608 O GLY A 54 9.540 -8.192 -15.267 1.00 0.00 O ATOM 0 H GLY A 54 11.139 -5.033 -17.695 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.501 -5.834 -15.052 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.383 -5.454 -16.347 1.00 0.00 H new ATOM 612 N THR A 55 10.074 -8.030 -17.459 1.00 0.00 N ATOM 613 CA THR A 55 9.793 -9.427 -17.745 1.00 0.00 C ATOM 614 C THR A 55 10.638 -10.335 -16.850 1.00 0.00 C ATOM 615 O THR A 55 10.111 -11.238 -16.202 1.00 0.00 O ATOM 616 CB THR A 55 10.025 -9.659 -19.240 1.00 0.00 C ATOM 617 OG1 THR A 55 8.770 -9.348 -19.838 1.00 0.00 O ATOM 618 CG2 THR A 55 10.242 -11.136 -19.576 1.00 0.00 C ATOM 0 H THR A 55 10.389 -7.485 -18.262 1.00 0.00 H new ATOM 0 HA THR A 55 8.756 -9.677 -17.520 1.00 0.00 H new ATOM 0 HB THR A 55 10.889 -9.081 -19.567 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.718 -8.384 -20.007 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.402 -11.245 -20.649 1.00 0.00 H new ATOM 0 HG22 THR A 55 11.115 -11.507 -19.039 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.364 -11.709 -19.280 1.00 0.00 H new ATOM 626 N TYR A 56 11.935 -10.065 -16.844 1.00 0.00 N ATOM 627 CA TYR A 56 12.858 -10.847 -16.039 1.00 0.00 C ATOM 628 C TYR A 56 12.706 -10.517 -14.553 1.00 0.00 C ATOM 629 O TYR A 56 12.908 -11.378 -13.698 1.00 0.00 O ATOM 630 CB TYR A 56 14.261 -10.446 -16.497 1.00 0.00 C ATOM 631 CG TYR A 56 15.374 -10.864 -15.534 1.00 0.00 C ATOM 632 CD1 TYR A 56 15.475 -12.179 -15.126 1.00 0.00 C ATOM 633 CD2 TYR A 56 16.276 -9.927 -15.073 1.00 0.00 C ATOM 634 CE1 TYR A 56 16.523 -12.573 -14.220 1.00 0.00 C ATOM 635 CE2 TYR A 56 17.323 -10.321 -14.167 1.00 0.00 C ATOM 636 CZ TYR A 56 17.395 -11.624 -13.785 1.00 0.00 C ATOM 637 OH TYR A 56 18.384 -11.996 -12.929 1.00 0.00 O ATOM 0 H TYR A 56 12.369 -9.316 -17.384 1.00 0.00 H new ATOM 0 HA TYR A 56 12.666 -11.913 -16.163 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.454 -10.890 -17.474 1.00 0.00 H new ATOM 0 HB3 TYR A 56 14.294 -9.364 -16.627 1.00 0.00 H new ATOM 0 HD1 TYR A 56 14.768 -12.912 -15.486 1.00 0.00 H new ATOM 0 HD2 TYR A 56 16.196 -8.898 -15.392 1.00 0.00 H new ATOM 0 HE1 TYR A 56 16.614 -13.598 -13.894 1.00 0.00 H new ATOM 0 HE2 TYR A 56 18.036 -9.598 -13.799 1.00 0.00 H new ATOM 0 HH TYR A 56 18.932 -11.216 -12.703 1.00 0.00 H new ATOM 647 N LEU A 57 12.351 -9.267 -14.291 1.00 0.00 N ATOM 648 CA LEU A 57 12.169 -8.813 -12.923 1.00 0.00 C ATOM 649 C LEU A 57 10.875 -9.405 -12.360 1.00 0.00 C ATOM 650 O LEU A 57 10.739 -9.570 -11.149 1.00 0.00 O ATOM 651 CB LEU A 57 12.227 -7.285 -12.854 1.00 0.00 C ATOM 652 CG LEU A 57 12.524 -6.687 -11.477 1.00 0.00 C ATOM 653 CD1 LEU A 57 12.869 -5.201 -11.588 1.00 0.00 C ATOM 654 CD2 LEU A 57 11.364 -6.935 -10.510 1.00 0.00 C ATOM 0 H LEU A 57 12.185 -8.555 -15.003 1.00 0.00 H new ATOM 0 HA LEU A 57 12.983 -9.170 -12.292 1.00 0.00 H new ATOM 0 HB2 LEU A 57 12.990 -6.938 -13.551 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.273 -6.889 -13.202 1.00 0.00 H new ATOM 0 HG LEU A 57 13.399 -7.191 -11.067 1.00 0.00 H new ATOM 0 HD11 LEU A 57 13.076 -4.800 -10.596 1.00 0.00 H new ATOM 0 HD12 LEU A 57 13.749 -5.078 -12.220 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.029 -4.664 -12.028 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.601 -6.500 -9.539 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.458 -6.474 -10.903 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.206 -8.008 -10.398 1.00 0.00 H new ATOM 666 N TYR A 58 9.958 -9.708 -13.267 1.00 0.00 N ATOM 667 CA TYR A 58 8.680 -10.279 -12.877 1.00 0.00 C ATOM 668 C TYR A 58 8.756 -11.806 -12.817 1.00 0.00 C ATOM 669 O TYR A 58 8.072 -12.434 -12.010 1.00 0.00 O ATOM 670 CB TYR A 58 7.686 -9.872 -13.967 1.00 0.00 C ATOM 671 CG TYR A 58 7.072 -8.486 -13.763 1.00 0.00 C ATOM 672 CD1 TYR A 58 6.565 -8.130 -12.530 1.00 0.00 C ATOM 673 CD2 TYR A 58 7.025 -7.591 -14.812 1.00 0.00 C ATOM 674 CE1 TYR A 58 5.987 -6.825 -12.338 1.00 0.00 C ATOM 675 CE2 TYR A 58 6.447 -6.286 -14.621 1.00 0.00 C ATOM 676 CZ TYR A 58 5.956 -5.968 -13.393 1.00 0.00 C ATOM 677 OH TYR A 58 5.410 -4.735 -13.212 1.00 0.00 O ATOM 0 H TYR A 58 10.075 -9.569 -14.271 1.00 0.00 H new ATOM 0 HA TYR A 58 8.387 -9.923 -11.889 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.191 -9.896 -14.932 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.885 -10.610 -14.008 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.602 -8.830 -11.709 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.422 -7.869 -15.777 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.587 -6.534 -11.378 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.404 -5.576 -15.434 1.00 0.00 H new ATOM 0 HH TYR A 58 4.535 -4.825 -12.780 1.00 0.00 H new ATOM 687 N GLN A 59 9.595 -12.359 -13.681 1.00 0.00 N ATOM 688 CA GLN A 59 9.770 -13.800 -13.736 1.00 0.00 C ATOM 689 C GLN A 59 10.680 -14.268 -12.600 1.00 0.00 C ATOM 690 O GLN A 59 10.868 -15.468 -12.404 1.00 0.00 O ATOM 691 CB GLN A 59 10.322 -14.234 -15.095 1.00 0.00 C ATOM 692 CG GLN A 59 11.852 -14.216 -15.097 1.00 0.00 C ATOM 693 CD GLN A 59 12.400 -14.319 -16.521 1.00 0.00 C ATOM 694 OE1 GLN A 59 11.748 -13.969 -17.492 1.00 0.00 O ATOM 695 NE2 GLN A 59 13.631 -14.817 -16.593 1.00 0.00 N ATOM 0 H GLN A 59 10.161 -11.835 -14.348 1.00 0.00 H new ATOM 0 HA GLN A 59 8.794 -14.270 -13.610 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.966 -15.237 -15.333 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.946 -13.570 -15.873 1.00 0.00 H new ATOM 0 HG2 GLN A 59 12.209 -13.297 -14.632 1.00 0.00 H new ATOM 0 HG3 GLN A 59 12.230 -15.044 -14.497 1.00 0.00 H new ATOM 0 HE21 GLN A 59 14.121 -15.090 -15.741 1.00 0.00 H new ATOM 0 HE22 GLN A 59 14.085 -14.925 -17.500 1.00 0.00 H new ATOM 704 N LYS A 60 11.222 -13.297 -11.879 1.00 0.00 N ATOM 705 CA LYS A 60 12.109 -13.595 -10.768 1.00 0.00 C ATOM 706 C LYS A 60 11.291 -13.680 -9.477 1.00 0.00 C ATOM 707 O LYS A 60 10.575 -12.742 -9.129 1.00 0.00 O ATOM 708 CB LYS A 60 13.251 -12.579 -10.706 1.00 0.00 C ATOM 709 CG LYS A 60 14.502 -13.197 -10.077 1.00 0.00 C ATOM 710 CD LYS A 60 15.397 -13.828 -11.145 1.00 0.00 C ATOM 711 CE LYS A 60 14.807 -15.148 -11.645 1.00 0.00 C ATOM 712 NZ LYS A 60 13.910 -14.911 -12.798 1.00 0.00 N ATOM 0 H LYS A 60 11.064 -12.303 -12.043 1.00 0.00 H new ATOM 0 HA LYS A 60 12.584 -14.566 -10.910 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.482 -12.225 -11.711 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.939 -11.711 -10.126 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.058 -12.431 -9.537 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.211 -13.953 -9.348 1.00 0.00 H new ATOM 0 HD2 LYS A 60 15.514 -13.138 -11.981 1.00 0.00 H new ATOM 0 HD3 LYS A 60 16.392 -14.002 -10.734 1.00 0.00 H new ATOM 0 HE2 LYS A 60 15.610 -15.826 -11.935 1.00 0.00 H new ATOM 0 HE3 LYS A 60 14.255 -15.634 -10.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.021 -15.433 -12.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.706 -13.894 -12.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.372 -15.239 -13.670 1.00 0.00 H new ATOM 726 N ASP A 61 11.425 -14.812 -8.803 1.00 0.00 N ATOM 727 CA ASP A 61 10.708 -15.032 -7.559 1.00 0.00 C ATOM 728 C ASP A 61 11.526 -15.961 -6.660 1.00 0.00 C ATOM 729 O ASP A 61 12.165 -16.895 -7.144 1.00 0.00 O ATOM 730 CB ASP A 61 9.353 -15.694 -7.814 1.00 0.00 C ATOM 731 CG ASP A 61 8.689 -15.319 -9.141 1.00 0.00 C ATOM 732 OD1 ASP A 61 8.665 -16.116 -10.090 1.00 0.00 O ATOM 733 OD2 ASP A 61 8.175 -14.137 -9.178 1.00 0.00 O ATOM 0 H ASP A 61 12.020 -15.587 -9.095 1.00 0.00 H new ATOM 0 HA ASP A 61 10.553 -14.063 -7.084 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.483 -16.776 -7.783 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.678 -15.430 -7.000 1.00 0.00 H new ATOM 739 N ASN A 62 11.481 -15.673 -5.368 1.00 0.00 N ATOM 740 CA ASN A 62 12.211 -16.472 -4.397 1.00 0.00 C ATOM 741 C ASN A 62 11.368 -17.688 -4.007 1.00 0.00 C ATOM 742 O ASN A 62 11.896 -18.788 -3.849 1.00 0.00 O ATOM 743 CB ASN A 62 12.497 -15.668 -3.127 1.00 0.00 C ATOM 744 CG ASN A 62 13.436 -16.434 -2.193 1.00 0.00 C ATOM 745 OD1 ASN A 62 14.296 -17.188 -2.618 1.00 0.00 O ATOM 746 ND2 ASN A 62 13.225 -16.200 -0.902 1.00 0.00 N ATOM 0 H ASN A 62 10.951 -14.898 -4.970 1.00 0.00 H new ATOM 0 HA ASN A 62 13.154 -16.777 -4.851 1.00 0.00 H new ATOM 0 HB2 ASN A 62 12.944 -14.710 -3.392 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.562 -15.452 -2.611 1.00 0.00 H new ATOM 0 HD21 ASN A 62 13.800 -16.664 -0.199 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.488 -15.557 -0.614 1.00 0.00 H new ATOM 753 N SER A 63 10.073 -17.450 -3.864 1.00 0.00 N ATOM 754 CA SER A 63 9.153 -18.512 -3.496 1.00 0.00 C ATOM 755 C SER A 63 9.057 -19.537 -4.628 1.00 0.00 C ATOM 756 O SER A 63 9.444 -20.692 -4.458 1.00 0.00 O ATOM 757 CB SER A 63 7.767 -17.952 -3.168 1.00 0.00 C ATOM 758 OG SER A 63 7.764 -17.214 -1.949 1.00 0.00 O ATOM 0 H SER A 63 9.639 -16.537 -3.996 1.00 0.00 H new ATOM 0 HA SER A 63 9.538 -19.002 -2.602 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.434 -17.308 -3.982 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.052 -18.772 -3.097 1.00 0.00 H new ATOM 0 HG SER A 63 6.862 -16.872 -1.776 1.00 0.00 H new ATOM 764 N CYS A 64 8.538 -19.077 -5.757 1.00 0.00 N ATOM 765 CA CYS A 64 8.387 -19.940 -6.916 1.00 0.00 C ATOM 766 C CYS A 64 7.410 -21.061 -6.557 1.00 0.00 C ATOM 767 O CYS A 64 7.595 -22.206 -6.967 1.00 0.00 O ATOM 768 CB CYS A 64 9.733 -20.488 -7.394 1.00 0.00 C ATOM 769 SG CYS A 64 9.547 -21.255 -9.044 1.00 0.00 S ATOM 0 H CYS A 64 8.217 -18.119 -5.894 1.00 0.00 H new ATOM 0 HA CYS A 64 7.987 -19.364 -7.750 1.00 0.00 H new ATOM 0 HB2 CYS A 64 10.467 -19.684 -7.439 1.00 0.00 H new ATOM 0 HB3 CYS A 64 10.109 -21.223 -6.683 1.00 0.00 H new ATOM 0 HG CYS A 64 8.566 -22.108 -9.018 1.00 0.00 H new ATOM 775 N ASN A 65 6.391 -20.692 -5.794 1.00 0.00 N ATOM 776 CA ASN A 65 5.385 -21.653 -5.374 1.00 0.00 C ATOM 777 C ASN A 65 4.278 -21.719 -6.429 1.00 0.00 C ATOM 778 O ASN A 65 3.589 -22.731 -6.548 1.00 0.00 O ATOM 779 CB ASN A 65 4.748 -21.238 -4.046 1.00 0.00 C ATOM 780 CG ASN A 65 3.605 -20.247 -4.272 1.00 0.00 C ATOM 781 OD1 ASN A 65 3.809 -19.081 -4.570 1.00 0.00 O ATOM 782 ND2 ASN A 65 2.393 -20.773 -4.115 1.00 0.00 N ATOM 0 H ASN A 65 6.241 -19.741 -5.456 1.00 0.00 H new ATOM 0 HA ASN A 65 5.872 -22.621 -5.254 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.372 -22.120 -3.528 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.503 -20.787 -3.402 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.564 -20.192 -4.245 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.292 -21.757 -3.865 1.00 0.00 H new ATOM 789 N LEU A 66 4.142 -20.627 -7.167 1.00 0.00 N ATOM 790 CA LEU A 66 3.131 -20.549 -8.208 1.00 0.00 C ATOM 791 C LEU A 66 3.739 -19.905 -9.456 1.00 0.00 C ATOM 792 O LEU A 66 4.295 -18.810 -9.386 1.00 0.00 O ATOM 793 CB LEU A 66 1.884 -19.830 -7.690 1.00 0.00 C ATOM 794 CG LEU A 66 0.787 -19.562 -8.723 1.00 0.00 C ATOM 795 CD1 LEU A 66 -0.585 -19.466 -8.052 1.00 0.00 C ATOM 796 CD2 LEU A 66 1.108 -18.317 -9.553 1.00 0.00 C ATOM 0 H LEU A 66 4.715 -19.789 -7.065 1.00 0.00 H new ATOM 0 HA LEU A 66 2.800 -21.547 -8.494 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.457 -20.423 -6.881 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.191 -18.877 -7.259 1.00 0.00 H new ATOM 0 HG LEU A 66 0.751 -20.407 -9.411 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.347 -19.275 -8.808 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.807 -20.403 -7.542 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.580 -18.651 -7.328 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.313 -18.149 -10.279 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.187 -17.452 -8.895 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.053 -18.462 -10.077 1.00 0.00 H new ATOM 808 N PHE A 67 3.612 -20.613 -10.569 1.00 0.00 N ATOM 809 CA PHE A 67 4.142 -20.124 -11.831 1.00 0.00 C ATOM 810 C PHE A 67 3.327 -18.935 -12.344 1.00 0.00 C ATOM 811 O PHE A 67 2.192 -19.101 -12.789 1.00 0.00 O ATOM 812 CB PHE A 67 4.034 -21.273 -12.836 1.00 0.00 C ATOM 813 CG PHE A 67 5.122 -22.338 -12.683 1.00 0.00 C ATOM 814 CD1 PHE A 67 6.391 -22.078 -13.097 1.00 0.00 C ATOM 815 CD2 PHE A 67 4.819 -23.544 -12.132 1.00 0.00 C ATOM 816 CE1 PHE A 67 7.400 -23.067 -12.955 1.00 0.00 C ATOM 817 CE2 PHE A 67 5.829 -24.533 -11.990 1.00 0.00 C ATOM 818 CZ PHE A 67 7.098 -24.273 -12.404 1.00 0.00 C ATOM 0 H PHE A 67 3.150 -21.521 -10.623 1.00 0.00 H new ATOM 0 HA PHE A 67 5.172 -19.794 -11.699 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.058 -21.747 -12.727 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.079 -20.865 -13.846 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.631 -21.120 -13.534 1.00 0.00 H new ATOM 0 HD2 PHE A 67 3.811 -23.750 -11.803 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.408 -22.861 -13.285 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.589 -25.491 -11.553 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.866 -25.024 -12.295 1.00 0.00 H new ATOM 828 N ASN A 68 3.938 -17.762 -12.264 1.00 0.00 N ATOM 829 CA ASN A 68 3.283 -16.546 -12.715 1.00 0.00 C ATOM 830 C ASN A 68 3.489 -16.390 -14.223 1.00 0.00 C ATOM 831 O ASN A 68 4.588 -16.609 -14.729 1.00 0.00 O ATOM 832 CB ASN A 68 3.875 -15.314 -12.027 1.00 0.00 C ATOM 833 CG ASN A 68 5.358 -15.155 -12.369 1.00 0.00 C ATOM 834 OD1 ASN A 68 5.733 -14.802 -13.475 1.00 0.00 O ATOM 835 ND2 ASN A 68 6.179 -15.435 -11.360 1.00 0.00 N ATOM 0 H ASN A 68 4.879 -17.628 -11.894 1.00 0.00 H new ATOM 0 HA ASN A 68 2.224 -16.622 -12.469 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.329 -14.423 -12.336 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.755 -15.403 -10.947 1.00 0.00 H new ATOM 0 HD21 ASN A 68 7.188 -15.359 -11.488 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.799 -15.725 -10.459 1.00 0.00 H new ATOM 842 N THR A 69 2.414 -16.012 -14.899 1.00 0.00 N ATOM 843 CA THR A 69 2.462 -15.824 -16.339 1.00 0.00 C ATOM 844 C THR A 69 3.063 -14.459 -16.679 1.00 0.00 C ATOM 845 O THR A 69 2.839 -13.483 -15.965 1.00 0.00 O ATOM 846 CB THR A 69 1.048 -16.020 -16.889 1.00 0.00 C ATOM 847 OG1 THR A 69 0.506 -17.066 -16.088 1.00 0.00 O ATOM 848 CG2 THR A 69 1.046 -16.597 -18.307 1.00 0.00 C ATOM 0 H THR A 69 1.504 -15.831 -14.476 1.00 0.00 H new ATOM 0 HA THR A 69 3.114 -16.558 -16.812 1.00 0.00 H new ATOM 0 HB THR A 69 0.521 -15.066 -16.885 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.411 -17.257 -16.376 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.018 -16.716 -18.650 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.575 -15.919 -18.976 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.543 -17.567 -18.306 1.00 0.00 H new ATOM 856 N LEU A 70 3.815 -14.434 -17.770 1.00 0.00 N ATOM 857 CA LEU A 70 4.449 -13.204 -18.213 1.00 0.00 C ATOM 858 C LEU A 70 3.387 -12.267 -18.791 1.00 0.00 C ATOM 859 O LEU A 70 3.538 -11.047 -18.743 1.00 0.00 O ATOM 860 CB LEU A 70 5.592 -13.511 -19.183 1.00 0.00 C ATOM 861 CG LEU A 70 6.708 -12.466 -19.257 1.00 0.00 C ATOM 862 CD1 LEU A 70 6.299 -11.289 -20.145 1.00 0.00 C ATOM 863 CD2 LEU A 70 7.125 -12.011 -17.857 1.00 0.00 C ATOM 0 H LEU A 70 3.999 -15.246 -18.360 1.00 0.00 H new ATOM 0 HA LEU A 70 4.906 -12.686 -17.370 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.034 -14.467 -18.901 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.172 -13.636 -20.181 1.00 0.00 H new ATOM 0 HG LEU A 70 7.580 -12.929 -19.719 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.110 -10.561 -20.180 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.090 -11.649 -21.152 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.406 -10.817 -19.736 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.919 -11.269 -17.937 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.268 -11.572 -17.347 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.486 -12.868 -17.288 1.00 0.00 H new ATOM 875 N THR A 71 2.335 -12.872 -19.323 1.00 0.00 N ATOM 876 CA THR A 71 1.248 -12.106 -19.908 1.00 0.00 C ATOM 877 C THR A 71 0.723 -11.075 -18.908 1.00 0.00 C ATOM 878 O THR A 71 0.446 -9.934 -19.275 1.00 0.00 O ATOM 879 CB THR A 71 0.178 -13.092 -20.383 1.00 0.00 C ATOM 880 OG1 THR A 71 0.717 -13.637 -21.584 1.00 0.00 O ATOM 881 CG2 THR A 71 -1.104 -12.391 -20.835 1.00 0.00 C ATOM 0 H THR A 71 2.212 -13.884 -19.361 1.00 0.00 H new ATOM 0 HA THR A 71 1.588 -11.532 -20.770 1.00 0.00 H new ATOM 0 HB THR A 71 -0.054 -13.791 -19.579 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.088 -14.288 -21.959 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.830 -13.135 -21.162 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.519 -11.820 -20.004 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.878 -11.717 -21.661 1.00 0.00 H new ATOM 889 N GLU A 72 0.600 -11.513 -17.664 1.00 0.00 N ATOM 890 CA GLU A 72 0.113 -10.642 -16.608 1.00 0.00 C ATOM 891 C GLU A 72 0.972 -9.379 -16.522 1.00 0.00 C ATOM 892 O GLU A 72 0.448 -8.267 -16.516 1.00 0.00 O ATOM 893 CB GLU A 72 0.080 -11.375 -15.265 1.00 0.00 C ATOM 894 CG GLU A 72 -0.654 -10.547 -14.207 1.00 0.00 C ATOM 895 CD GLU A 72 0.215 -9.385 -13.721 1.00 0.00 C ATOM 896 OE1 GLU A 72 1.448 -9.440 -13.840 1.00 0.00 O ATOM 897 OE2 GLU A 72 -0.436 -8.398 -13.205 1.00 0.00 O ATOM 0 H GLU A 72 0.829 -12.460 -17.363 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.908 -10.347 -16.849 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.414 -12.339 -15.385 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.098 -11.578 -14.932 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.584 -10.161 -14.623 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.922 -11.183 -13.363 1.00 0.00 H new ATOM 905 N ALA A 73 2.278 -9.594 -16.458 1.00 0.00 N ATOM 906 CA ALA A 73 3.215 -8.487 -16.374 1.00 0.00 C ATOM 907 C ALA A 73 3.024 -7.568 -17.583 1.00 0.00 C ATOM 908 O ALA A 73 2.857 -6.359 -17.428 1.00 0.00 O ATOM 909 CB ALA A 73 4.642 -9.031 -16.276 1.00 0.00 C ATOM 0 H ALA A 73 2.709 -10.518 -16.463 1.00 0.00 H new ATOM 0 HA ALA A 73 3.029 -7.896 -15.478 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.345 -8.200 -16.213 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.734 -9.652 -15.385 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.865 -9.629 -17.160 1.00 0.00 H new ATOM 915 N ARG A 74 3.053 -8.178 -18.759 1.00 0.00 N ATOM 916 CA ARG A 74 2.885 -7.430 -19.993 1.00 0.00 C ATOM 917 C ARG A 74 1.609 -6.587 -19.933 1.00 0.00 C ATOM 918 O ARG A 74 1.553 -5.499 -20.505 1.00 0.00 O ATOM 919 CB ARG A 74 2.811 -8.368 -21.200 1.00 0.00 C ATOM 920 CG ARG A 74 4.161 -9.041 -21.454 1.00 0.00 C ATOM 921 CD ARG A 74 4.207 -9.670 -22.848 1.00 0.00 C ATOM 922 NE ARG A 74 4.450 -8.624 -23.867 1.00 0.00 N ATOM 923 CZ ARG A 74 4.951 -8.864 -25.086 1.00 0.00 C ATOM 924 NH1 ARG A 74 5.267 -10.116 -25.445 1.00 0.00 N ATOM 925 NH2 ARG A 74 5.138 -7.853 -25.945 1.00 0.00 N ATOM 0 H ARG A 74 3.190 -9.181 -18.883 1.00 0.00 H new ATOM 0 HA ARG A 74 3.751 -6.778 -20.106 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.048 -9.128 -21.029 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.509 -7.806 -22.084 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.961 -8.307 -21.356 1.00 0.00 H new ATOM 0 HG3 ARG A 74 4.337 -9.808 -20.699 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.995 -10.422 -22.891 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.267 -10.181 -23.057 1.00 0.00 H new ATOM 0 HE ARG A 74 4.222 -7.660 -23.626 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.126 -10.885 -24.790 1.00 0.00 H new ATOM 0 HH12 ARG A 74 5.648 -10.300 -26.373 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.899 -6.900 -25.671 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.520 -8.036 -26.873 1.00 0.00 H new ATOM 939 N ASP A 75 0.617 -7.121 -19.236 1.00 0.00 N ATOM 940 CA ASP A 75 -0.654 -6.431 -19.094 1.00 0.00 C ATOM 941 C ASP A 75 -0.501 -5.293 -18.082 1.00 0.00 C ATOM 942 O ASP A 75 -1.157 -4.260 -18.201 1.00 0.00 O ATOM 943 CB ASP A 75 -1.740 -7.378 -18.581 1.00 0.00 C ATOM 944 CG ASP A 75 -2.857 -6.706 -17.779 1.00 0.00 C ATOM 945 OD1 ASP A 75 -3.998 -6.589 -18.248 1.00 0.00 O ATOM 946 OD2 ASP A 75 -2.511 -6.288 -16.608 1.00 0.00 O ATOM 0 H ASP A 75 0.668 -8.023 -18.763 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.942 -6.049 -20.073 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.184 -7.893 -19.433 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.272 -8.139 -17.957 1.00 0.00 H new ATOM 952 N ALA A 76 0.369 -5.522 -17.109 1.00 0.00 N ATOM 953 CA ALA A 76 0.616 -4.530 -16.077 1.00 0.00 C ATOM 954 C ALA A 76 1.266 -3.296 -16.707 1.00 0.00 C ATOM 955 O ALA A 76 0.806 -2.174 -16.501 1.00 0.00 O ATOM 956 CB ALA A 76 1.479 -5.144 -14.973 1.00 0.00 C ATOM 0 H ALA A 76 0.912 -6.380 -17.014 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.321 -4.212 -15.619 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.664 -4.399 -14.199 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.960 -5.998 -14.538 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.429 -5.473 -15.394 1.00 0.00 H new ATOM 962 N ILE A 77 2.326 -3.546 -17.462 1.00 0.00 N ATOM 963 CA ILE A 77 3.044 -2.470 -18.123 1.00 0.00 C ATOM 964 C ILE A 77 2.190 -1.921 -19.268 1.00 0.00 C ATOM 965 O ILE A 77 2.083 -0.707 -19.440 1.00 0.00 O ATOM 966 CB ILE A 77 4.431 -2.943 -18.563 1.00 0.00 C ATOM 967 CG1 ILE A 77 4.393 -4.401 -19.025 1.00 0.00 C ATOM 968 CG2 ILE A 77 5.463 -2.719 -17.456 1.00 0.00 C ATOM 969 CD1 ILE A 77 5.543 -4.701 -19.988 1.00 0.00 C ATOM 0 H ILE A 77 2.705 -4.478 -17.630 1.00 0.00 H new ATOM 0 HA ILE A 77 3.218 -1.646 -17.431 1.00 0.00 H new ATOM 0 HB ILE A 77 4.741 -2.343 -19.419 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.456 -5.062 -18.161 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.441 -4.606 -19.515 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.440 -3.064 -17.794 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.516 -1.657 -17.217 1.00 0.00 H new ATOM 0 HG23 ILE A 77 5.170 -3.277 -16.567 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.493 -5.744 -20.301 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.463 -4.055 -20.863 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.494 -4.518 -19.488 1.00 0.00 H new ATOM 981 N LYS A 78 1.604 -2.840 -20.021 1.00 0.00 N ATOM 982 CA LYS A 78 0.763 -2.463 -21.144 1.00 0.00 C ATOM 983 C LYS A 78 -0.440 -1.668 -20.631 1.00 0.00 C ATOM 984 O LYS A 78 -0.937 -0.777 -21.316 1.00 0.00 O ATOM 985 CB LYS A 78 0.380 -3.696 -21.964 1.00 0.00 C ATOM 986 CG LYS A 78 -0.475 -3.308 -23.172 1.00 0.00 C ATOM 987 CD LYS A 78 -0.721 -4.514 -24.081 1.00 0.00 C ATOM 988 CE LYS A 78 -2.071 -4.399 -24.791 1.00 0.00 C ATOM 989 NZ LYS A 78 -1.990 -3.428 -25.905 1.00 0.00 N ATOM 0 H LYS A 78 1.695 -3.845 -19.875 1.00 0.00 H new ATOM 0 HA LYS A 78 1.309 -1.811 -21.826 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.282 -4.207 -22.301 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.169 -4.398 -21.336 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.429 -2.904 -22.832 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.023 -2.519 -23.736 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.077 -4.586 -24.820 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.693 -5.430 -23.491 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.372 -5.375 -25.172 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.836 -4.084 -24.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.915 -3.362 -26.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.724 -2.494 -25.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.274 -3.744 -26.590 1.00 0.00 H new ATOM 1003 N ASP A 79 -0.872 -2.020 -19.428 1.00 0.00 N ATOM 1004 CA ASP A 79 -2.006 -1.351 -18.816 1.00 0.00 C ATOM 1005 C ASP A 79 -1.569 0.026 -18.311 1.00 0.00 C ATOM 1006 O ASP A 79 -2.319 0.996 -18.416 1.00 0.00 O ATOM 1007 CB ASP A 79 -2.535 -2.146 -17.620 1.00 0.00 C ATOM 1008 CG ASP A 79 -3.542 -1.401 -16.742 1.00 0.00 C ATOM 1009 OD1 ASP A 79 -3.185 -0.843 -15.694 1.00 0.00 O ATOM 1010 OD2 ASP A 79 -4.756 -1.408 -17.178 1.00 0.00 O ATOM 0 H ASP A 79 -0.456 -2.760 -18.862 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.791 -1.263 -19.567 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.003 -3.059 -17.988 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.690 -2.448 -17.001 1.00 0.00 H new ATOM 1016 N ALA A 80 -0.359 0.068 -17.775 1.00 0.00 N ATOM 1017 CA ALA A 80 0.187 1.310 -17.254 1.00 0.00 C ATOM 1018 C ALA A 80 0.358 2.307 -18.402 1.00 0.00 C ATOM 1019 O ALA A 80 -0.083 3.451 -18.306 1.00 0.00 O ATOM 1020 CB ALA A 80 1.503 1.025 -16.528 1.00 0.00 C ATOM 0 H ALA A 80 0.260 -0.738 -17.690 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.495 1.755 -16.529 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.912 1.957 -16.137 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.322 0.335 -15.704 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.214 0.580 -17.224 1.00 0.00 H new ATOM 1026 N TYR A 81 1.000 1.837 -19.461 1.00 0.00 N ATOM 1027 CA TYR A 81 1.235 2.673 -20.626 1.00 0.00 C ATOM 1028 C TYR A 81 -0.086 3.129 -21.249 1.00 0.00 C ATOM 1029 O TYR A 81 -0.246 4.302 -21.584 1.00 0.00 O ATOM 1030 CB TYR A 81 1.984 1.796 -21.631 1.00 0.00 C ATOM 1031 CG TYR A 81 3.488 1.697 -21.372 1.00 0.00 C ATOM 1032 CD1 TYR A 81 3.951 1.353 -20.118 1.00 0.00 C ATOM 1033 CD2 TYR A 81 4.382 1.951 -22.392 1.00 0.00 C ATOM 1034 CE1 TYR A 81 5.367 1.260 -19.874 1.00 0.00 C ATOM 1035 CE2 TYR A 81 5.799 1.858 -22.147 1.00 0.00 C ATOM 1036 CZ TYR A 81 6.221 1.517 -20.900 1.00 0.00 C ATOM 1037 OH TYR A 81 7.558 1.429 -20.670 1.00 0.00 O ATOM 0 H TYR A 81 1.365 0.888 -19.537 1.00 0.00 H new ATOM 0 HA TYR A 81 1.797 3.566 -20.351 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.556 0.794 -21.613 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.824 2.193 -22.634 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.251 1.154 -19.320 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.020 2.219 -23.373 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.742 0.992 -18.897 1.00 0.00 H new ATOM 0 HE2 TYR A 81 6.510 2.055 -22.936 1.00 0.00 H new ATOM 0 HH TYR A 81 7.839 0.492 -20.727 1.00 0.00 H new ATOM 1047 N GLU A 82 -0.998 2.178 -21.386 1.00 0.00 N ATOM 1048 CA GLU A 82 -2.300 2.467 -21.964 1.00 0.00 C ATOM 1049 C GLU A 82 -3.163 3.242 -20.966 1.00 0.00 C ATOM 1050 O GLU A 82 -4.083 3.957 -21.359 1.00 0.00 O ATOM 1051 CB GLU A 82 -2.999 1.182 -22.411 1.00 0.00 C ATOM 1052 CG GLU A 82 -2.127 0.396 -23.391 1.00 0.00 C ATOM 1053 CD GLU A 82 -2.369 0.856 -24.831 1.00 0.00 C ATOM 1054 OE1 GLU A 82 -2.523 2.061 -25.078 1.00 0.00 O ATOM 1055 OE2 GLU A 82 -2.392 -0.089 -25.708 1.00 0.00 O ATOM 0 H GLU A 82 -0.861 1.207 -21.107 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.154 3.088 -22.848 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.223 0.564 -21.541 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.951 1.427 -22.882 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.076 0.528 -23.135 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.345 -0.669 -23.304 1.00 0.00 H new ATOM 1063 N SER A 83 -2.835 3.074 -19.693 1.00 0.00 N ATOM 1064 CA SER A 83 -3.568 3.749 -18.636 1.00 0.00 C ATOM 1065 C SER A 83 -3.210 5.237 -18.618 1.00 0.00 C ATOM 1066 O SER A 83 -4.094 6.091 -18.561 1.00 0.00 O ATOM 1067 CB SER A 83 -3.277 3.117 -17.273 1.00 0.00 C ATOM 1068 OG SER A 83 -3.615 3.988 -16.197 1.00 0.00 O ATOM 0 H SER A 83 -2.071 2.480 -19.370 1.00 0.00 H new ATOM 0 HA SER A 83 -4.634 3.640 -18.837 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.839 2.188 -17.177 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.220 2.858 -17.212 1.00 0.00 H new ATOM 0 HG SER A 83 -3.416 3.547 -15.345 1.00 0.00 H new ATOM 1074 N TYR A 84 -1.913 5.501 -18.668 1.00 0.00 N ATOM 1075 CA TYR A 84 -1.428 6.871 -18.659 1.00 0.00 C ATOM 1076 C TYR A 84 -1.085 7.341 -20.074 1.00 0.00 C ATOM 1077 O TYR A 84 -0.599 8.455 -20.261 1.00 0.00 O ATOM 1078 CB TYR A 84 -0.152 6.860 -17.814 1.00 0.00 C ATOM 1079 CG TYR A 84 -0.385 6.530 -16.339 1.00 0.00 C ATOM 1080 CD1 TYR A 84 -0.975 7.461 -15.508 1.00 0.00 C ATOM 1081 CD2 TYR A 84 -0.005 5.301 -15.839 1.00 0.00 C ATOM 1082 CE1 TYR A 84 -1.194 7.149 -14.119 1.00 0.00 C ATOM 1083 CE2 TYR A 84 -0.225 4.990 -14.450 1.00 0.00 C ATOM 1084 CZ TYR A 84 -0.808 5.929 -13.659 1.00 0.00 C ATOM 1085 OH TYR A 84 -1.016 5.635 -12.347 1.00 0.00 O ATOM 0 H TYR A 84 -1.183 4.790 -18.715 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.187 7.545 -18.262 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.543 6.132 -18.233 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.327 7.836 -17.886 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.272 8.423 -15.899 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.457 4.573 -16.489 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.655 7.868 -13.458 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.067 4.032 -14.046 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.692 4.729 -12.159 1.00 0.00 H new ATOM 1095 N CYS A 85 -1.350 6.467 -21.034 1.00 0.00 N ATOM 1096 CA CYS A 85 -1.076 6.778 -22.426 1.00 0.00 C ATOM 1097 C CYS A 85 -1.721 8.127 -22.753 1.00 0.00 C ATOM 1098 O CYS A 85 -2.849 8.395 -22.344 1.00 0.00 O ATOM 1099 CB CYS A 85 -1.565 5.670 -23.361 1.00 0.00 C ATOM 1100 SG CYS A 85 -2.256 6.401 -24.890 1.00 0.00 S ATOM 0 H CYS A 85 -1.752 5.543 -20.875 1.00 0.00 H new ATOM 0 HA CYS A 85 0.001 6.844 -22.581 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.741 5.001 -23.608 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -2.324 5.069 -22.860 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.666 5.452 -25.678 1.00 0.00 H new ATOM 1106 N GLY A 86 -0.976 8.940 -23.488 1.00 0.00 N ATOM 1107 CA GLY A 86 -1.461 10.254 -23.874 1.00 0.00 C ATOM 1108 C GLY A 86 -0.828 11.348 -23.012 1.00 0.00 C ATOM 1109 O GLY A 86 -1.103 12.531 -23.203 1.00 0.00 O ATOM 0 H GLY A 86 -0.041 8.714 -23.826 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.232 10.436 -24.924 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.546 10.289 -23.773 1.00 0.00 H new ATOM 1113 N ILE A 87 0.010 10.913 -22.082 1.00 0.00 N ATOM 1114 CA ILE A 87 0.685 11.841 -21.190 1.00 0.00 C ATOM 1115 C ILE A 87 2.196 11.621 -21.283 1.00 0.00 C ATOM 1116 O ILE A 87 2.692 10.545 -20.952 1.00 0.00 O ATOM 1117 CB ILE A 87 0.131 11.717 -19.770 1.00 0.00 C ATOM 1118 CG1 ILE A 87 0.875 10.636 -18.983 1.00 0.00 C ATOM 1119 CG2 ILE A 87 -1.379 11.474 -19.789 1.00 0.00 C ATOM 1120 CD1 ILE A 87 0.087 10.223 -17.739 1.00 0.00 C ATOM 0 H ILE A 87 0.237 9.931 -21.927 1.00 0.00 H new ATOM 0 HA ILE A 87 0.493 12.870 -21.493 1.00 0.00 H new ATOM 0 HB ILE A 87 0.298 12.663 -19.255 1.00 0.00 H new ATOM 0 HG12 ILE A 87 1.039 9.766 -19.619 1.00 0.00 H new ATOM 0 HG13 ILE A 87 1.857 11.006 -18.689 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.747 11.390 -18.766 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.875 12.308 -20.286 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.592 10.551 -20.329 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.638 9.454 -17.198 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.054 11.090 -17.093 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.885 9.831 -18.038 1.00 0.00 H new ATOM 1132 N ASP A 88 2.886 12.659 -21.734 1.00 0.00 N ATOM 1133 CA ASP A 88 4.331 12.593 -21.874 1.00 0.00 C ATOM 1134 C ASP A 88 4.980 13.554 -20.876 1.00 0.00 C ATOM 1135 O ASP A 88 6.204 13.649 -20.807 1.00 0.00 O ATOM 1136 CB ASP A 88 4.767 13.006 -23.281 1.00 0.00 C ATOM 1137 CG ASP A 88 6.254 13.336 -23.426 1.00 0.00 C ATOM 1138 OD1 ASP A 88 7.099 12.437 -23.545 1.00 0.00 O ATOM 1139 OD2 ASP A 88 6.537 14.595 -23.413 1.00 0.00 O ATOM 0 H ASP A 88 2.471 13.550 -22.007 1.00 0.00 H new ATOM 0 HA ASP A 88 4.642 11.565 -21.688 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.520 12.201 -23.973 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.186 13.877 -23.584 1.00 0.00 H new ATOM 1145 N ASP A 89 4.130 14.242 -20.127 1.00 0.00 N ATOM 1146 CA ASP A 89 4.606 15.192 -19.136 1.00 0.00 C ATOM 1147 C ASP A 89 3.872 14.954 -17.815 1.00 0.00 C ATOM 1148 O ASP A 89 2.724 14.513 -17.809 1.00 0.00 O ATOM 1149 CB ASP A 89 4.331 16.631 -19.577 1.00 0.00 C ATOM 1150 CG ASP A 89 2.919 16.887 -20.106 1.00 0.00 C ATOM 1151 OD1 ASP A 89 2.673 17.869 -20.822 1.00 0.00 O ATOM 1152 OD2 ASP A 89 2.037 16.015 -19.751 1.00 0.00 O ATOM 0 H ASP A 89 3.115 14.160 -20.187 1.00 0.00 H new ATOM 0 HA ASP A 89 5.680 15.049 -19.020 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.512 17.295 -18.732 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.048 16.900 -20.353 1.00 0.00 H new ATOM 1158 N CYS A 90 4.566 15.256 -16.727 1.00 0.00 N ATOM 1159 CA CYS A 90 3.995 15.080 -15.403 1.00 0.00 C ATOM 1160 C CYS A 90 2.713 15.911 -15.318 1.00 0.00 C ATOM 1161 O CYS A 90 2.762 17.140 -15.359 1.00 0.00 O ATOM 1162 CB CYS A 90 4.991 15.454 -14.303 1.00 0.00 C ATOM 1163 SG CYS A 90 4.236 15.188 -12.657 1.00 0.00 S ATOM 0 H CYS A 90 5.518 15.621 -16.736 1.00 0.00 H new ATOM 0 HA CYS A 90 3.756 14.028 -15.244 1.00 0.00 H new ATOM 0 HB2 CYS A 90 5.895 14.852 -14.399 1.00 0.00 H new ATOM 0 HB3 CYS A 90 5.290 16.497 -14.411 1.00 0.00 H new ATOM 1168 N PRO A 91 1.567 15.189 -15.198 1.00 0.00 N ATOM 1169 CA PRO A 91 0.275 15.847 -15.107 1.00 0.00 C ATOM 1170 C PRO A 91 0.071 16.466 -13.723 1.00 0.00 C ATOM 1171 O PRO A 91 -0.525 17.535 -13.599 1.00 0.00 O ATOM 1172 CB PRO A 91 -0.741 14.763 -15.428 1.00 0.00 C ATOM 1173 CG PRO A 91 -0.017 13.441 -15.230 1.00 0.00 C ATOM 1174 CD PRO A 91 1.472 13.733 -15.145 1.00 0.00 C ATOM 0 HA PRO A 91 0.179 16.683 -15.800 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -1.609 14.835 -14.773 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -1.105 14.860 -16.451 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -0.362 12.949 -14.320 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -0.226 12.763 -16.058 1.00 0.00 H new ATOM 0 HD2 PRO A 91 1.900 13.341 -14.222 1.00 0.00 H new ATOM 0 HD3 PRO A 91 2.014 13.270 -15.970 1.00 0.00 H new ATOM 1182 N GLN A 92 0.576 15.768 -12.717 1.00 0.00 N ATOM 1183 CA GLN A 92 0.457 16.236 -11.346 1.00 0.00 C ATOM 1184 C GLN A 92 1.106 17.613 -11.197 1.00 0.00 C ATOM 1185 O GLN A 92 0.627 18.450 -10.434 1.00 0.00 O ATOM 1186 CB GLN A 92 1.070 15.231 -10.368 1.00 0.00 C ATOM 1187 CG GLN A 92 0.758 15.615 -8.921 1.00 0.00 C ATOM 1188 CD GLN A 92 -0.697 15.295 -8.570 1.00 0.00 C ATOM 1189 OE1 GLN A 92 -1.563 16.155 -8.559 1.00 0.00 O ATOM 1190 NE2 GLN A 92 -0.916 14.015 -8.285 1.00 0.00 N ATOM 0 H GLN A 92 1.069 14.881 -12.823 1.00 0.00 H new ATOM 0 HA GLN A 92 -0.602 16.328 -11.105 1.00 0.00 H new ATOM 0 HB2 GLN A 92 0.682 14.234 -10.575 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.150 15.190 -10.512 1.00 0.00 H new ATOM 0 HG2 GLN A 92 1.425 15.078 -8.247 1.00 0.00 H new ATOM 0 HG3 GLN A 92 0.946 16.679 -8.775 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.146 13.347 -8.313 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.855 13.701 -8.038 1.00 0.00 H new ATOM 1199 N CYS A 93 2.188 17.805 -11.937 1.00 0.00 N ATOM 1200 CA CYS A 93 2.909 19.066 -11.897 1.00 0.00 C ATOM 1201 C CYS A 93 2.063 20.125 -12.607 1.00 0.00 C ATOM 1202 O CYS A 93 2.054 21.288 -12.206 1.00 0.00 O ATOM 1203 CB CYS A 93 4.303 18.941 -12.514 1.00 0.00 C ATOM 1204 SG CYS A 93 5.521 18.497 -11.223 1.00 0.00 S ATOM 0 H CYS A 93 2.583 17.108 -12.568 1.00 0.00 H new ATOM 0 HA CYS A 93 3.068 19.364 -10.861 1.00 0.00 H new ATOM 0 HB2 CYS A 93 4.297 18.182 -13.296 1.00 0.00 H new ATOM 0 HB3 CYS A 93 4.587 19.882 -12.985 1.00 0.00 H new ATOM 1209 N SER A 94 1.374 19.685 -13.650 1.00 0.00 N ATOM 1210 CA SER A 94 0.528 20.580 -14.419 1.00 0.00 C ATOM 1211 C SER A 94 -0.750 20.894 -13.638 1.00 0.00 C ATOM 1212 O SER A 94 -1.410 21.898 -13.898 1.00 0.00 O ATOM 1213 CB SER A 94 0.182 19.976 -15.782 1.00 0.00 C ATOM 1214 OG SER A 94 1.189 20.240 -16.755 1.00 0.00 O ATOM 0 H SER A 94 1.385 18.720 -13.980 1.00 0.00 H new ATOM 0 HA SER A 94 1.078 21.506 -14.591 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.052 18.899 -15.678 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.770 20.380 -16.127 1.00 0.00 H new ATOM 0 HG SER A 94 0.931 19.837 -17.610 1.00 0.00 H new ATOM 1220 N LYS A 95 -1.060 20.015 -12.696 1.00 0.00 N ATOM 1221 CA LYS A 95 -2.246 20.185 -11.875 1.00 0.00 C ATOM 1222 C LYS A 95 -1.899 21.042 -10.655 1.00 0.00 C ATOM 1223 O LYS A 95 -2.750 21.761 -10.135 1.00 0.00 O ATOM 1224 CB LYS A 95 -2.851 18.826 -11.519 1.00 0.00 C ATOM 1225 CG LYS A 95 -3.992 18.980 -10.511 1.00 0.00 C ATOM 1226 CD LYS A 95 -5.042 19.972 -11.019 1.00 0.00 C ATOM 1227 CE LYS A 95 -6.244 20.028 -10.075 1.00 0.00 C ATOM 1228 NZ LYS A 95 -5.903 20.775 -8.844 1.00 0.00 N ATOM 0 H LYS A 95 -0.510 19.183 -12.483 1.00 0.00 H new ATOM 0 HA LYS A 95 -3.019 20.717 -12.429 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.222 18.341 -12.422 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.079 18.178 -11.104 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.458 18.011 -10.333 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.594 19.323 -9.556 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.598 20.964 -11.108 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.371 19.680 -12.016 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -7.085 20.506 -10.576 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.559 19.017 -9.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.735 20.818 -8.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.126 20.293 -8.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.608 21.740 -9.094 1.00 0.00 H new ATOM 1242 N TYR A 96 -0.647 20.936 -10.235 1.00 0.00 N ATOM 1243 CA TYR A 96 -0.176 21.691 -9.087 1.00 0.00 C ATOM 1244 C TYR A 96 0.683 22.879 -9.526 1.00 0.00 C ATOM 1245 O TYR A 96 1.745 22.696 -10.118 1.00 0.00 O ATOM 1246 CB TYR A 96 0.688 20.726 -8.272 1.00 0.00 C ATOM 1247 CG TYR A 96 1.461 21.394 -7.133 1.00 0.00 C ATOM 1248 CD1 TYR A 96 0.854 21.593 -5.910 1.00 0.00 C ATOM 1249 CD2 TYR A 96 2.767 21.796 -7.329 1.00 0.00 C ATOM 1250 CE1 TYR A 96 1.582 22.221 -4.838 1.00 0.00 C ATOM 1251 CE2 TYR A 96 3.495 22.424 -6.257 1.00 0.00 C ATOM 1252 CZ TYR A 96 2.867 22.606 -5.065 1.00 0.00 C ATOM 1253 OH TYR A 96 3.555 23.199 -4.052 1.00 0.00 O ATOM 0 H TYR A 96 0.056 20.338 -10.670 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.017 22.083 -8.516 1.00 0.00 H new ATOM 0 HB2 TYR A 96 0.050 19.946 -7.856 1.00 0.00 H new ATOM 0 HB3 TYR A 96 1.396 20.236 -8.940 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -0.167 21.278 -5.757 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.243 21.640 -8.286 1.00 0.00 H new ATOM 0 HE1 TYR A 96 1.119 22.383 -3.876 1.00 0.00 H new ATOM 0 HE2 TYR A 96 4.517 22.743 -6.397 1.00 0.00 H new ATOM 0 HH TYR A 96 4.460 23.420 -4.356 1.00 0.00 H new ATOM 1263 N ILE A 97 0.190 24.070 -9.219 1.00 0.00 N ATOM 1264 CA ILE A 97 0.899 25.287 -9.575 1.00 0.00 C ATOM 1265 C ILE A 97 1.773 25.726 -8.399 1.00 0.00 C ATOM 1266 O ILE A 97 1.479 25.404 -7.248 1.00 0.00 O ATOM 1267 CB ILE A 97 -0.084 26.362 -10.046 1.00 0.00 C ATOM 1268 CG1 ILE A 97 -0.450 26.163 -11.518 1.00 0.00 C ATOM 1269 CG2 ILE A 97 0.466 27.764 -9.775 1.00 0.00 C ATOM 1270 CD1 ILE A 97 0.731 26.508 -12.428 1.00 0.00 C ATOM 0 H ILE A 97 -0.692 24.218 -8.728 1.00 0.00 H new ATOM 0 HA ILE A 97 1.566 25.106 -10.418 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.004 26.261 -9.470 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.752 25.129 -11.685 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -1.305 26.790 -11.772 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -0.251 28.509 -10.119 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.634 27.889 -8.705 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.408 27.895 -10.308 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.444 26.358 -13.469 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.015 27.549 -12.276 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.576 25.863 -12.188 1.00 0.00 H new ATOM 1282 N ASP A 98 2.830 26.454 -8.727 1.00 0.00 N ATOM 1283 CA ASP A 98 3.749 26.940 -7.712 1.00 0.00 C ATOM 1284 C ASP A 98 3.368 28.371 -7.328 1.00 0.00 C ATOM 1285 O ASP A 98 3.664 29.314 -8.061 1.00 0.00 O ATOM 1286 CB ASP A 98 5.187 26.957 -8.233 1.00 0.00 C ATOM 1287 CG ASP A 98 5.447 27.932 -9.383 1.00 0.00 C ATOM 1288 OD1 ASP A 98 5.797 29.101 -9.162 1.00 0.00 O ATOM 1289 OD2 ASP A 98 5.273 27.442 -10.563 1.00 0.00 O ATOM 0 H ASP A 98 3.071 26.719 -9.682 1.00 0.00 H new ATOM 0 HA ASP A 98 3.685 26.273 -6.853 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.854 27.206 -7.407 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.450 25.952 -8.562 1.00 0.00 H new ATOM 1295 N ASP A 99 2.716 28.489 -6.181 1.00 0.00 N ATOM 1296 CA ASP A 99 2.291 29.789 -5.691 1.00 0.00 C ATOM 1297 C ASP A 99 3.515 30.574 -5.213 1.00 0.00 C ATOM 1298 O ASP A 99 4.507 29.985 -4.787 1.00 0.00 O ATOM 1299 CB ASP A 99 1.330 29.646 -4.510 1.00 0.00 C ATOM 1300 CG ASP A 99 1.216 30.882 -3.615 1.00 0.00 C ATOM 1301 OD1 ASP A 99 0.464 31.821 -3.916 1.00 0.00 O ATOM 1302 OD2 ASP A 99 1.951 30.858 -2.555 1.00 0.00 O ATOM 0 H ASP A 99 2.471 27.705 -5.576 1.00 0.00 H new ATOM 0 HA ASP A 99 1.785 30.307 -6.506 1.00 0.00 H new ATOM 0 HB2 ASP A 99 0.340 29.402 -4.894 1.00 0.00 H new ATOM 0 HB3 ASP A 99 1.652 28.802 -3.899 1.00 0.00 H new TER 1308 ASP A 99 HETATM 1309 ZN ZN A 100 5.651 16.065 -10.815 1.00 0.00 ZN