USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 639 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 60 TYR OH : rot 180:sc= 0.00272 USER MOD Set 1.2: A 64 ASN : amide:sc= 0.411 K(o=0.41,f=-2.4!) USER MOD Set 2.1: A 26 GLN : amide:sc= -0.889 X(o=-0.42,f=-0.48) USER MOD Set 2.2: A 30 TYR OH : rot 172:sc= 0.467 USER MOD Single : A 1 MET CE :methyl -166:sc= -0.057 (180deg=-0.382) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.0716 (180deg=-0.0822) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 ASN : amide:sc= -0.679 K(o=-0.68,f=-4.5!) USER MOD Single : A 11 MET CE :methyl 157:sc= -0.247 (180deg=-1.54) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 135:sc= -0.611 (180deg=-2.36) USER MOD Single : A 20 THR OG1 : rot -74:sc= 1.12 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.0341 X(o=-0.034,f=-0.057) USER MOD Single : A 40 HIS : no HE2:sc= -0.335 K(o=-0.34,f=-3.2!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 120:sc= 0.534 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -154:sc= -2.05! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.4 K(o=-1.4,f=-0.24) USER MOD Single : A 65 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0358) USER MOD Single : A 70 SER OG : rot 74:sc= 0.724 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 74 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.17) USER MOD Single : A 75 HIS : no HE2:sc= -1.09 K(o=-1.1,f=-2.5) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HE2:sc= 0.241 K(o=0.24,f=-2.8) USER MOD Single : A 78 HIS : no HD1:sc= -0.304 X(o=-0.3,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.052 -6.025 -3.338 1.00 20.22 N ATOM 2 CA MET A 1 10.791 -5.526 -2.143 1.00 34.31 C ATOM 3 C MET A 1 10.517 -6.402 -0.912 1.00 44.02 C ATOM 4 O MET A 1 9.784 -7.387 -0.991 1.00 41.10 O ATOM 5 CB MET A 1 10.409 -4.067 -1.846 1.00 41.32 C ATOM 6 CG MET A 1 10.766 -3.098 -2.968 1.00 23.13 C ATOM 7 SD MET A 1 12.529 -3.098 -3.355 1.00 62.51 S ATOM 8 CE MET A 1 13.229 -2.508 -1.814 1.00 65.12 C ATOM 0 H1 MET A 1 10.722 -6.189 -4.117 1.00 20.22 H new ATOM 0 H2 MET A 1 9.571 -6.916 -3.101 1.00 20.22 H new ATOM 0 H3 MET A 1 9.348 -5.318 -3.631 1.00 20.22 H new ATOM 0 HA MET A 1 11.857 -5.577 -2.366 1.00 34.31 H new ATOM 0 HB2 MET A 1 9.337 -4.013 -1.659 1.00 41.32 H new ATOM 0 HB3 MET A 1 10.909 -3.749 -0.931 1.00 41.32 H new ATOM 0 HG2 MET A 1 10.202 -3.361 -3.863 1.00 23.13 H new ATOM 0 HG3 MET A 1 10.461 -2.091 -2.684 1.00 23.13 H new ATOM 0 HE1 MET A 1 14.268 -2.220 -1.973 1.00 65.12 H new ATOM 0 HE2 MET A 1 12.663 -1.645 -1.464 1.00 65.12 H new ATOM 0 HE3 MET A 1 13.182 -3.300 -1.066 1.00 65.12 H new ATOM 20 N ALA A 2 11.105 -6.039 0.228 1.00 5.30 N ATOM 21 CA ALA A 2 10.971 -6.836 1.453 1.00 70.04 C ATOM 22 C ALA A 2 9.580 -6.691 2.098 1.00 21.44 C ATOM 23 O ALA A 2 9.344 -5.788 2.907 1.00 60.23 O ATOM 24 CB ALA A 2 12.064 -6.462 2.449 1.00 4.42 C ATOM 0 H ALA A 2 11.678 -5.201 0.331 1.00 5.30 H new ATOM 0 HA ALA A 2 11.084 -7.883 1.172 1.00 70.04 H new ATOM 0 HB1 ALA A 2 11.953 -7.061 3.353 1.00 4.42 H new ATOM 0 HB2 ALA A 2 13.041 -6.653 2.005 1.00 4.42 H new ATOM 0 HB3 ALA A 2 11.980 -5.405 2.701 1.00 4.42 H new ATOM 30 N GLN A 3 8.654 -7.568 1.711 1.00 74.30 N ATOM 31 CA GLN A 3 7.330 -7.631 2.340 1.00 74.51 C ATOM 32 C GLN A 3 7.381 -8.505 3.598 1.00 74.32 C ATOM 33 O GLN A 3 8.013 -9.563 3.598 1.00 1.10 O ATOM 34 CB GLN A 3 6.297 -8.200 1.357 1.00 31.21 C ATOM 35 CG GLN A 3 6.170 -7.403 0.064 1.00 34.20 C ATOM 36 CD GLN A 3 5.131 -7.986 -0.883 1.00 3.15 C ATOM 37 OE1 GLN A 3 3.963 -7.614 -0.854 1.00 4.11 O ATOM 38 NE2 GLN A 3 5.544 -8.918 -1.722 1.00 64.15 N ATOM 0 H GLN A 3 8.795 -8.247 0.963 1.00 74.30 H new ATOM 0 HA GLN A 3 7.034 -6.620 2.619 1.00 74.51 H new ATOM 0 HB2 GLN A 3 6.569 -9.227 1.114 1.00 31.21 H new ATOM 0 HB3 GLN A 3 5.324 -8.235 1.848 1.00 31.21 H new ATOM 0 HG2 GLN A 3 5.903 -6.373 0.301 1.00 34.20 H new ATOM 0 HG3 GLN A 3 7.137 -7.374 -0.437 1.00 34.20 H new ATOM 0 HE21 GLN A 3 6.522 -9.207 -1.722 1.00 64.15 H new ATOM 0 HE22 GLN A 3 4.885 -9.349 -2.370 1.00 64.15 H new ATOM 47 N ILE A 4 6.723 -8.063 4.666 1.00 73.34 N ATOM 48 CA ILE A 4 6.732 -8.802 5.933 1.00 44.42 C ATOM 49 C ILE A 4 5.918 -10.109 5.831 1.00 54.21 C ATOM 50 O ILE A 4 4.760 -10.174 6.250 1.00 2.21 O ATOM 51 CB ILE A 4 6.187 -7.930 7.101 1.00 51.44 C ATOM 52 CG1 ILE A 4 6.917 -6.571 7.149 1.00 64.11 C ATOM 53 CG2 ILE A 4 6.325 -8.663 8.438 1.00 11.12 C ATOM 54 CD1 ILE A 4 8.419 -6.681 7.351 1.00 33.21 C ATOM 0 H ILE A 4 6.178 -7.201 4.684 1.00 73.34 H new ATOM 0 HA ILE A 4 7.771 -9.057 6.144 1.00 44.42 H new ATOM 0 HB ILE A 4 5.128 -7.746 6.923 1.00 51.44 H new ATOM 0 HG12 ILE A 4 6.724 -6.034 6.220 1.00 64.11 H new ATOM 0 HG13 ILE A 4 6.495 -5.972 7.956 1.00 64.11 H new ATOM 0 HG21 ILE A 4 5.938 -8.034 9.239 1.00 11.12 H new ATOM 0 HG22 ILE A 4 5.760 -9.594 8.402 1.00 11.12 H new ATOM 0 HG23 ILE A 4 7.376 -8.883 8.625 1.00 11.12 H new ATOM 0 HD11 ILE A 4 8.857 -5.683 7.373 1.00 33.21 H new ATOM 0 HD12 ILE A 4 8.623 -7.188 8.294 1.00 33.21 H new ATOM 0 HD13 ILE A 4 8.856 -7.251 6.531 1.00 33.21 H new ATOM 66 N ILE A 5 6.523 -11.137 5.231 1.00 10.43 N ATOM 67 CA ILE A 5 5.887 -12.454 5.098 1.00 74.35 C ATOM 68 C ILE A 5 6.909 -13.586 5.326 1.00 21.44 C ATOM 69 O ILE A 5 7.580 -14.034 4.388 1.00 63.43 O ATOM 70 CB ILE A 5 5.226 -12.650 3.702 1.00 21.24 C ATOM 71 CG1 ILE A 5 4.209 -11.530 3.409 1.00 4.13 C ATOM 72 CG2 ILE A 5 4.545 -14.019 3.622 1.00 33.40 C ATOM 73 CD1 ILE A 5 3.554 -11.632 2.046 1.00 11.41 C ATOM 0 H ILE A 5 7.458 -11.084 4.827 1.00 10.43 H new ATOM 0 HA ILE A 5 5.109 -12.497 5.861 1.00 74.35 H new ATOM 0 HB ILE A 5 6.011 -12.602 2.947 1.00 21.24 H new ATOM 0 HG12 ILE A 5 3.434 -11.548 4.175 1.00 4.13 H new ATOM 0 HG13 ILE A 5 4.713 -10.567 3.487 1.00 4.13 H new ATOM 0 HG21 ILE A 5 4.088 -14.141 2.640 1.00 33.40 H new ATOM 0 HG22 ILE A 5 5.286 -14.803 3.777 1.00 33.40 H new ATOM 0 HG23 ILE A 5 3.776 -14.088 4.392 1.00 33.40 H new ATOM 0 HD11 ILE A 5 2.852 -10.808 1.917 1.00 11.41 H new ATOM 0 HD12 ILE A 5 4.318 -11.583 1.270 1.00 11.41 H new ATOM 0 HD13 ILE A 5 3.020 -12.579 1.969 1.00 11.41 H new ATOM 85 N PHE A 6 7.045 -14.019 6.581 1.00 72.54 N ATOM 86 CA PHE A 6 7.939 -15.132 6.939 1.00 11.33 C ATOM 87 C PHE A 6 7.779 -15.509 8.420 1.00 33.55 C ATOM 88 O PHE A 6 7.862 -14.649 9.303 1.00 52.24 O ATOM 89 CB PHE A 6 9.406 -14.774 6.651 1.00 12.21 C ATOM 90 CG PHE A 6 10.365 -15.917 6.885 1.00 10.12 C ATOM 91 CD1 PHE A 6 10.440 -16.968 5.983 1.00 63.31 C ATOM 92 CD2 PHE A 6 11.186 -15.944 8.005 1.00 25.44 C ATOM 93 CE1 PHE A 6 11.313 -18.018 6.191 1.00 24.30 C ATOM 94 CE2 PHE A 6 12.061 -16.992 8.216 1.00 25.42 C ATOM 95 CZ PHE A 6 12.124 -18.030 7.309 1.00 74.13 C ATOM 0 H PHE A 6 6.546 -13.616 7.374 1.00 72.54 H new ATOM 0 HA PHE A 6 7.660 -15.988 6.325 1.00 11.33 H new ATOM 0 HB2 PHE A 6 9.494 -14.443 5.616 1.00 12.21 H new ATOM 0 HB3 PHE A 6 9.696 -13.933 7.280 1.00 12.21 H new ATOM 0 HD1 PHE A 6 9.808 -16.965 5.107 1.00 63.31 H new ATOM 0 HD2 PHE A 6 11.140 -15.136 8.720 1.00 25.44 H new ATOM 0 HE1 PHE A 6 11.361 -18.829 5.480 1.00 24.30 H new ATOM 0 HE2 PHE A 6 12.695 -16.999 9.090 1.00 25.42 H new ATOM 0 HZ PHE A 6 12.807 -18.851 7.473 1.00 74.13 H new ATOM 105 N ASN A 7 7.548 -16.793 8.688 1.00 43.04 N ATOM 106 CA ASN A 7 7.376 -17.277 10.062 1.00 43.22 C ATOM 107 C ASN A 7 7.730 -18.769 10.194 1.00 62.32 C ATOM 108 O ASN A 7 7.084 -19.636 9.598 1.00 62.24 O ATOM 109 CB ASN A 7 5.940 -17.013 10.551 1.00 11.12 C ATOM 110 CG ASN A 7 4.868 -17.544 9.609 1.00 61.11 C ATOM 111 OD1 ASN A 7 5.049 -17.606 8.398 1.00 21.42 O ATOM 112 ND2 ASN A 7 3.732 -17.920 10.160 1.00 64.23 N ATOM 0 H ASN A 7 7.475 -17.518 7.975 1.00 43.04 H new ATOM 0 HA ASN A 7 8.070 -16.722 10.694 1.00 43.22 H new ATOM 0 HB2 ASN A 7 5.809 -17.471 11.532 1.00 11.12 H new ATOM 0 HB3 ASN A 7 5.800 -15.940 10.679 1.00 11.12 H new ATOM 0 HD21 ASN A 7 2.974 -18.274 9.576 1.00 64.23 H new ATOM 0 HD22 ASN A 7 3.610 -17.857 11.171 1.00 64.23 H new ATOM 119 N GLU A 8 8.773 -19.059 10.971 1.00 10.41 N ATOM 120 CA GLU A 8 9.186 -20.440 11.232 1.00 33.55 C ATOM 121 C GLU A 8 8.597 -20.952 12.557 1.00 22.14 C ATOM 122 O GLU A 8 9.107 -20.644 13.639 1.00 13.32 O ATOM 123 CB GLU A 8 10.717 -20.552 11.263 1.00 54.23 C ATOM 124 CG GLU A 8 11.402 -20.208 9.944 1.00 33.41 C ATOM 125 CD GLU A 8 12.912 -20.403 10.001 1.00 60.22 C ATOM 126 OE1 GLU A 8 13.599 -19.592 10.659 1.00 0.35 O ATOM 127 OE2 GLU A 8 13.421 -21.377 9.402 1.00 64.42 O ATOM 0 H GLU A 8 9.349 -18.355 11.432 1.00 10.41 H new ATOM 0 HA GLU A 8 8.803 -21.059 10.421 1.00 33.55 H new ATOM 0 HB2 GLU A 8 11.102 -19.892 12.041 1.00 54.23 H new ATOM 0 HB3 GLU A 8 10.989 -21.569 11.545 1.00 54.23 H new ATOM 0 HG2 GLU A 8 10.988 -20.831 9.151 1.00 33.41 H new ATOM 0 HG3 GLU A 8 11.182 -19.173 9.684 1.00 33.41 H new ATOM 134 N GLU A 9 7.515 -21.723 12.467 1.00 45.34 N ATOM 135 CA GLU A 9 6.851 -22.276 13.653 1.00 43.23 C ATOM 136 C GLU A 9 7.452 -23.634 14.048 1.00 62.55 C ATOM 137 O GLU A 9 6.984 -24.686 13.604 1.00 62.02 O ATOM 138 CB GLU A 9 5.343 -22.423 13.400 1.00 2.30 C ATOM 139 CG GLU A 9 4.632 -21.106 13.103 1.00 14.33 C ATOM 140 CD GLU A 9 4.722 -20.116 14.255 1.00 2.42 C ATOM 141 OE1 GLU A 9 4.132 -20.388 15.323 1.00 11.35 O ATOM 142 OE2 GLU A 9 5.369 -19.058 14.099 1.00 12.30 O ATOM 0 H GLU A 9 7.076 -21.981 11.583 1.00 45.34 H new ATOM 0 HA GLU A 9 7.010 -21.582 14.478 1.00 43.23 H new ATOM 0 HB2 GLU A 9 5.190 -23.103 12.562 1.00 2.30 H new ATOM 0 HB3 GLU A 9 4.882 -22.884 14.273 1.00 2.30 H new ATOM 0 HG2 GLU A 9 5.066 -20.657 12.209 1.00 14.33 H new ATOM 0 HG3 GLU A 9 3.583 -21.306 12.882 1.00 14.33 H new ATOM 149 N TRP A 10 8.500 -23.598 14.871 1.00 43.31 N ATOM 150 CA TRP A 10 9.177 -24.819 15.326 1.00 71.12 C ATOM 151 C TRP A 10 8.662 -25.274 16.697 1.00 20.55 C ATOM 152 O TRP A 10 8.552 -24.478 17.629 1.00 74.24 O ATOM 153 CB TRP A 10 10.692 -24.590 15.410 1.00 40.24 C ATOM 154 CG TRP A 10 11.320 -24.175 14.111 1.00 22.01 C ATOM 155 CD1 TRP A 10 11.794 -22.938 13.791 1.00 72.33 C ATOM 156 CD2 TRP A 10 11.539 -24.998 12.961 1.00 52.25 C ATOM 157 NE1 TRP A 10 12.296 -22.943 12.515 1.00 5.55 N ATOM 158 CE2 TRP A 10 12.147 -24.192 11.982 1.00 62.04 C ATOM 159 CE3 TRP A 10 11.282 -26.338 12.664 1.00 45.52 C ATOM 160 CZ2 TRP A 10 12.501 -24.681 10.728 1.00 72.25 C ATOM 161 CZ3 TRP A 10 11.630 -26.823 11.421 1.00 45.11 C ATOM 162 CH2 TRP A 10 12.235 -25.996 10.464 1.00 51.34 C ATOM 0 H TRP A 10 8.902 -22.736 15.239 1.00 43.31 H new ATOM 0 HA TRP A 10 8.960 -25.600 14.597 1.00 71.12 H new ATOM 0 HB2 TRP A 10 10.892 -23.824 16.159 1.00 40.24 H new ATOM 0 HB3 TRP A 10 11.169 -25.507 15.756 1.00 40.24 H new ATOM 0 HD1 TRP A 10 11.777 -22.080 14.446 1.00 72.33 H new ATOM 0 HE1 TRP A 10 12.714 -22.143 12.040 1.00 5.55 H new ATOM 0 HE3 TRP A 10 10.819 -26.984 13.395 1.00 45.52 H new ATOM 0 HZ2 TRP A 10 12.969 -24.045 9.991 1.00 72.25 H new ATOM 0 HZ3 TRP A 10 11.433 -27.857 11.181 1.00 45.11 H new ATOM 0 HH2 TRP A 10 12.496 -26.406 9.499 1.00 51.34 H new ATOM 173 N MET A 11 8.361 -26.562 16.818 1.00 3.12 N ATOM 174 CA MET A 11 7.946 -27.144 18.097 1.00 4.13 C ATOM 175 C MET A 11 8.418 -28.601 18.220 1.00 71.31 C ATOM 176 O MET A 11 8.646 -29.277 17.211 1.00 42.10 O ATOM 177 CB MET A 11 6.420 -27.049 18.254 1.00 15.20 C ATOM 178 CG MET A 11 5.636 -27.662 17.101 1.00 62.04 C ATOM 179 SD MET A 11 3.856 -27.398 17.254 1.00 13.53 S ATOM 180 CE MET A 11 3.781 -25.607 17.255 1.00 13.45 C ATOM 0 H MET A 11 8.396 -27.228 16.046 1.00 3.12 H new ATOM 0 HA MET A 11 8.414 -26.575 18.900 1.00 4.13 H new ATOM 0 HB2 MET A 11 6.129 -27.544 19.180 1.00 15.20 H new ATOM 0 HB3 MET A 11 6.140 -26.000 18.352 1.00 15.20 H new ATOM 0 HG2 MET A 11 5.984 -27.233 16.161 1.00 62.04 H new ATOM 0 HG3 MET A 11 5.838 -28.732 17.057 1.00 62.04 H new ATOM 0 HE1 MET A 11 2.790 -25.284 16.937 1.00 13.45 H new ATOM 0 HE2 MET A 11 3.978 -25.235 18.260 1.00 13.45 H new ATOM 0 HE3 MET A 11 4.529 -25.211 16.568 1.00 13.45 H new ATOM 190 N VAL A 12 8.585 -29.068 19.457 1.00 24.22 N ATOM 191 CA VAL A 12 9.038 -30.441 19.714 1.00 44.22 C ATOM 192 C VAL A 12 7.916 -31.465 19.470 1.00 72.32 C ATOM 193 O VAL A 12 6.757 -31.095 19.279 1.00 24.30 O ATOM 194 CB VAL A 12 9.568 -30.602 21.163 1.00 2.03 C ATOM 195 CG1 VAL A 12 10.729 -29.644 21.426 1.00 64.45 C ATOM 196 CG2 VAL A 12 8.448 -30.395 22.185 1.00 43.50 C ATOM 0 H VAL A 12 8.414 -28.518 20.299 1.00 24.22 H new ATOM 0 HA VAL A 12 9.850 -30.634 19.013 1.00 44.22 H new ATOM 0 HB VAL A 12 9.937 -31.622 21.274 1.00 2.03 H new ATOM 0 HG11 VAL A 12 11.084 -29.775 22.448 1.00 64.45 H new ATOM 0 HG12 VAL A 12 11.541 -29.856 20.730 1.00 64.45 H new ATOM 0 HG13 VAL A 12 10.392 -28.617 21.288 1.00 64.45 H new ATOM 0 HG21 VAL A 12 8.848 -30.514 23.192 1.00 43.50 H new ATOM 0 HG22 VAL A 12 8.035 -29.392 22.074 1.00 43.50 H new ATOM 0 HG23 VAL A 12 7.662 -31.131 22.018 1.00 43.50 H new ATOM 206 N GLU A 13 8.270 -32.750 19.501 1.00 34.31 N ATOM 207 CA GLU A 13 7.314 -33.840 19.247 1.00 42.14 C ATOM 208 C GLU A 13 6.047 -33.718 20.116 1.00 70.44 C ATOM 209 O GLU A 13 4.927 -33.663 19.599 1.00 1.14 O ATOM 210 CB GLU A 13 7.992 -35.192 19.510 1.00 45.34 C ATOM 211 CG GLU A 13 7.091 -36.397 19.259 1.00 4.21 C ATOM 212 CD GLU A 13 7.725 -37.698 19.721 1.00 12.14 C ATOM 213 OE1 GLU A 13 7.547 -38.060 20.905 1.00 0.31 O ATOM 214 OE2 GLU A 13 8.416 -38.352 18.912 1.00 52.45 O ATOM 0 H GLU A 13 9.218 -33.068 19.701 1.00 34.31 H new ATOM 0 HA GLU A 13 7.005 -33.770 18.204 1.00 42.14 H new ATOM 0 HB2 GLU A 13 8.875 -35.273 18.876 1.00 45.34 H new ATOM 0 HB3 GLU A 13 8.338 -35.219 20.543 1.00 45.34 H new ATOM 0 HG2 GLU A 13 6.143 -36.253 19.778 1.00 4.21 H new ATOM 0 HG3 GLU A 13 6.865 -36.463 18.195 1.00 4.21 H new ATOM 221 N LYS A 14 6.237 -33.683 21.437 1.00 54.23 N ATOM 222 CA LYS A 14 5.125 -33.560 22.391 1.00 61.23 C ATOM 223 C LYS A 14 4.223 -32.355 22.065 1.00 5.43 C ATOM 224 O LYS A 14 3.000 -32.479 22.013 1.00 3.31 O ATOM 225 CB LYS A 14 5.686 -33.456 23.825 1.00 40.43 C ATOM 226 CG LYS A 14 4.633 -33.260 24.924 1.00 1.53 C ATOM 227 CD LYS A 14 4.415 -31.780 25.259 1.00 2.14 C ATOM 228 CE LYS A 14 5.672 -31.143 25.844 1.00 2.31 C ATOM 229 NZ LYS A 14 5.475 -29.705 26.165 1.00 4.21 N ATOM 0 H LYS A 14 7.156 -33.738 21.876 1.00 54.23 H new ATOM 0 HA LYS A 14 4.503 -34.452 22.311 1.00 61.23 H new ATOM 0 HB2 LYS A 14 6.252 -34.361 24.043 1.00 40.43 H new ATOM 0 HB3 LYS A 14 6.389 -32.624 23.864 1.00 40.43 H new ATOM 0 HG2 LYS A 14 3.689 -33.701 24.603 1.00 1.53 H new ATOM 0 HG3 LYS A 14 4.945 -33.792 25.823 1.00 1.53 H new ATOM 0 HD2 LYS A 14 4.120 -31.242 24.358 1.00 2.14 H new ATOM 0 HD3 LYS A 14 3.594 -31.685 25.970 1.00 2.14 H new ATOM 0 HE2 LYS A 14 5.962 -31.679 26.748 1.00 2.31 H new ATOM 0 HE3 LYS A 14 6.493 -31.246 25.135 1.00 2.31 H new ATOM 0 HZ1 LYS A 14 6.354 -29.314 26.560 1.00 4.21 H new ATOM 0 HZ2 LYS A 14 5.224 -29.187 25.299 1.00 4.21 H new ATOM 0 HZ3 LYS A 14 4.709 -29.607 26.862 1.00 4.21 H new ATOM 243 N ALA A 15 4.829 -31.192 21.840 1.00 70.53 N ATOM 244 CA ALA A 15 4.068 -29.979 21.514 1.00 54.31 C ATOM 245 C ALA A 15 3.321 -30.123 20.180 1.00 4.30 C ATOM 246 O ALA A 15 2.161 -29.730 20.057 1.00 61.23 O ATOM 247 CB ALA A 15 4.990 -28.766 21.469 1.00 10.13 C ATOM 0 H ALA A 15 5.840 -31.059 21.876 1.00 70.53 H new ATOM 0 HA ALA A 15 3.327 -29.835 22.301 1.00 54.31 H new ATOM 0 HB1 ALA A 15 4.409 -27.876 21.226 1.00 10.13 H new ATOM 0 HB2 ALA A 15 5.466 -28.634 22.441 1.00 10.13 H new ATOM 0 HB3 ALA A 15 5.755 -28.919 20.708 1.00 10.13 H new ATOM 253 N LEU A 16 3.997 -30.701 19.191 1.00 1.23 N ATOM 254 CA LEU A 16 3.436 -30.876 17.848 1.00 11.32 C ATOM 255 C LEU A 16 2.154 -31.725 17.879 1.00 65.00 C ATOM 256 O LEU A 16 1.120 -31.324 17.341 1.00 24.05 O ATOM 257 CB LEU A 16 4.499 -31.514 16.927 1.00 22.21 C ATOM 258 CG LEU A 16 4.192 -31.535 15.412 1.00 1.23 C ATOM 259 CD1 LEU A 16 3.152 -32.600 15.054 1.00 54.05 C ATOM 260 CD2 LEU A 16 3.737 -30.153 14.934 1.00 45.05 C ATOM 0 H LEU A 16 4.946 -31.061 19.294 1.00 1.23 H new ATOM 0 HA LEU A 16 3.161 -29.897 17.455 1.00 11.32 H new ATOM 0 HB2 LEU A 16 5.439 -30.982 17.075 1.00 22.21 H new ATOM 0 HB3 LEU A 16 4.659 -32.541 17.255 1.00 22.21 H new ATOM 0 HG LEU A 16 5.116 -31.797 14.896 1.00 1.23 H new ATOM 0 HD11 LEU A 16 2.966 -32.580 13.980 1.00 54.05 H new ATOM 0 HD12 LEU A 16 3.525 -33.583 15.340 1.00 54.05 H new ATOM 0 HD13 LEU A 16 2.223 -32.395 15.587 1.00 54.05 H new ATOM 0 HD21 LEU A 16 3.526 -30.189 13.865 1.00 45.05 H new ATOM 0 HD22 LEU A 16 2.835 -29.860 15.472 1.00 45.05 H new ATOM 0 HD23 LEU A 16 4.525 -29.425 15.124 1.00 45.05 H new ATOM 272 N MET A 17 2.223 -32.899 18.508 1.00 43.43 N ATOM 273 CA MET A 17 1.073 -33.813 18.557 1.00 5.03 C ATOM 274 C MET A 17 -0.148 -33.158 19.232 1.00 71.41 C ATOM 275 O MET A 17 -1.282 -33.330 18.783 1.00 72.11 O ATOM 276 CB MET A 17 1.446 -35.127 19.269 1.00 22.51 C ATOM 277 CG MET A 17 1.792 -34.978 20.742 1.00 72.14 C ATOM 278 SD MET A 17 2.188 -36.556 21.524 1.00 61.13 S ATOM 279 CE MET A 17 3.650 -37.035 20.604 1.00 53.33 C ATOM 0 H MET A 17 3.055 -33.241 18.989 1.00 43.43 H new ATOM 0 HA MET A 17 0.797 -34.043 17.528 1.00 5.03 H new ATOM 0 HB2 MET A 17 0.613 -35.824 19.175 1.00 22.51 H new ATOM 0 HB3 MET A 17 2.296 -35.574 18.754 1.00 22.51 H new ATOM 0 HG2 MET A 17 2.641 -34.302 20.846 1.00 72.14 H new ATOM 0 HG3 MET A 17 0.953 -34.518 21.264 1.00 72.14 H new ATOM 0 HE1 MET A 17 4.412 -37.397 21.294 1.00 53.33 H new ATOM 0 HE2 MET A 17 3.394 -37.826 19.899 1.00 53.33 H new ATOM 0 HE3 MET A 17 4.035 -36.174 20.058 1.00 53.33 H new ATOM 289 N VAL A 18 0.091 -32.390 20.293 1.00 32.10 N ATOM 290 CA VAL A 18 -0.988 -31.694 21.002 1.00 41.53 C ATOM 291 C VAL A 18 -1.548 -30.527 20.166 1.00 15.41 C ATOM 292 O VAL A 18 -2.763 -30.330 20.090 1.00 21.54 O ATOM 293 CB VAL A 18 -0.506 -31.162 22.378 1.00 45.20 C ATOM 294 CG1 VAL A 18 -1.646 -30.477 23.132 1.00 50.33 C ATOM 295 CG2 VAL A 18 0.091 -32.294 23.214 1.00 42.24 C ATOM 0 H VAL A 18 1.020 -32.232 20.683 1.00 32.10 H new ATOM 0 HA VAL A 18 -1.783 -32.422 21.164 1.00 41.53 H new ATOM 0 HB VAL A 18 0.272 -30.420 22.199 1.00 45.20 H new ATOM 0 HG11 VAL A 18 -1.280 -30.114 24.093 1.00 50.33 H new ATOM 0 HG12 VAL A 18 -2.018 -29.638 22.545 1.00 50.33 H new ATOM 0 HG13 VAL A 18 -2.453 -31.190 23.297 1.00 50.33 H new ATOM 0 HG21 VAL A 18 0.423 -31.901 24.175 1.00 42.24 H new ATOM 0 HG22 VAL A 18 -0.664 -33.063 23.378 1.00 42.24 H new ATOM 0 HG23 VAL A 18 0.941 -32.727 22.686 1.00 42.24 H new ATOM 305 N ARG A 19 -0.659 -29.760 19.533 1.00 73.44 N ATOM 306 CA ARG A 19 -1.067 -28.627 18.687 1.00 61.42 C ATOM 307 C ARG A 19 -1.850 -29.079 17.437 1.00 43.22 C ATOM 308 O ARG A 19 -2.768 -28.387 16.987 1.00 72.43 O ATOM 309 CB ARG A 19 0.164 -27.814 18.252 1.00 74.04 C ATOM 310 CG ARG A 19 0.815 -26.986 19.360 1.00 13.43 C ATOM 311 CD ARG A 19 -0.128 -25.913 19.899 1.00 15.10 C ATOM 312 NE ARG A 19 0.586 -24.870 20.636 1.00 4.12 N ATOM 313 CZ ARG A 19 0.114 -24.243 21.680 1.00 62.53 C ATOM 314 NH1 ARG A 19 -1.021 -24.574 22.202 1.00 33.25 N ATOM 315 NH2 ARG A 19 0.796 -23.286 22.214 1.00 63.00 N ATOM 0 H ARG A 19 0.350 -29.899 19.587 1.00 73.44 H new ATOM 0 HA ARG A 19 -1.730 -28.006 19.290 1.00 61.42 H new ATOM 0 HB2 ARG A 19 0.908 -28.499 17.846 1.00 74.04 H new ATOM 0 HB3 ARG A 19 -0.128 -27.145 17.443 1.00 74.04 H new ATOM 0 HG2 ARG A 19 1.119 -27.644 20.174 1.00 13.43 H new ATOM 0 HG3 ARG A 19 1.720 -26.515 18.977 1.00 13.43 H new ATOM 0 HD2 ARG A 19 -0.673 -25.461 19.070 1.00 15.10 H new ATOM 0 HD3 ARG A 19 -0.867 -26.376 20.553 1.00 15.10 H new ATOM 0 HE ARG A 19 1.519 -24.614 20.311 1.00 4.12 H new ATOM 0 HH11 ARG A 19 -1.565 -25.337 21.799 1.00 33.25 H new ATOM 0 HH12 ARG A 19 -1.373 -24.072 23.017 1.00 33.25 H new ATOM 0 HH21 ARG A 19 1.699 -23.022 21.821 1.00 63.00 H new ATOM 0 HH22 ARG A 19 0.432 -22.793 23.029 1.00 63.00 H new ATOM 329 N THR A 20 -1.483 -30.228 16.874 1.00 4.33 N ATOM 330 CA THR A 20 -2.112 -30.724 15.636 1.00 13.23 C ATOM 331 C THR A 20 -3.283 -31.678 15.913 1.00 64.25 C ATOM 332 O THR A 20 -4.239 -31.738 15.139 1.00 43.55 O ATOM 333 CB THR A 20 -1.088 -31.463 14.745 1.00 62.10 C ATOM 334 OG1 THR A 20 -0.515 -32.563 15.470 1.00 73.13 O ATOM 335 CG2 THR A 20 0.021 -30.521 14.283 1.00 61.45 C ATOM 0 H THR A 20 -0.756 -30.837 17.249 1.00 4.33 H new ATOM 0 HA THR A 20 -2.490 -29.840 15.122 1.00 13.23 H new ATOM 0 HB THR A 20 -1.611 -31.836 13.864 1.00 62.10 H new ATOM 0 HG1 THR A 20 0.124 -32.222 16.130 1.00 73.13 H new ATOM 0 HG21 THR A 20 0.727 -31.068 13.658 1.00 61.45 H new ATOM 0 HG22 THR A 20 -0.413 -29.702 13.709 1.00 61.45 H new ATOM 0 HG23 THR A 20 0.542 -30.119 15.152 1.00 61.45 H new ATOM 343 N GLY A 21 -3.217 -32.407 17.024 1.00 51.35 N ATOM 344 CA GLY A 21 -4.245 -33.398 17.340 1.00 63.23 C ATOM 345 C GLY A 21 -3.824 -34.820 16.978 1.00 70.31 C ATOM 346 O GLY A 21 -4.643 -35.745 16.972 1.00 51.34 O ATOM 0 H GLY A 21 -2.471 -32.333 17.715 1.00 51.35 H new ATOM 0 HA2 GLY A 21 -4.474 -33.351 18.405 1.00 63.23 H new ATOM 0 HA3 GLY A 21 -5.162 -33.148 16.806 1.00 63.23 H new ATOM 350 N LEU A 22 -2.542 -34.992 16.661 1.00 41.31 N ATOM 351 CA LEU A 22 -1.985 -36.311 16.340 1.00 43.44 C ATOM 352 C LEU A 22 -1.385 -36.977 17.585 1.00 24.54 C ATOM 353 O LEU A 22 -1.306 -36.373 18.654 1.00 21.22 O ATOM 354 CB LEU A 22 -0.911 -36.193 15.242 1.00 71.33 C ATOM 355 CG LEU A 22 -1.436 -36.096 13.797 1.00 24.25 C ATOM 356 CD1 LEU A 22 -2.373 -34.904 13.623 1.00 63.32 C ATOM 357 CD2 LEU A 22 -0.272 -36.020 12.808 1.00 3.02 C ATOM 0 H LEU A 22 -1.864 -34.232 16.619 1.00 41.31 H new ATOM 0 HA LEU A 22 -2.801 -36.934 15.974 1.00 43.44 H new ATOM 0 HB2 LEU A 22 -0.304 -35.311 15.448 1.00 71.33 H new ATOM 0 HB3 LEU A 22 -0.251 -37.058 15.311 1.00 71.33 H new ATOM 0 HG LEU A 22 -2.010 -36.999 13.588 1.00 24.25 H new ATOM 0 HD11 LEU A 22 -2.725 -34.865 12.592 1.00 63.32 H new ATOM 0 HD12 LEU A 22 -3.226 -35.010 14.294 1.00 63.32 H new ATOM 0 HD13 LEU A 22 -1.839 -33.984 13.859 1.00 63.32 H new ATOM 0 HD21 LEU A 22 -0.661 -35.952 11.792 1.00 3.02 H new ATOM 0 HD22 LEU A 22 0.333 -35.139 13.025 1.00 3.02 H new ATOM 0 HD23 LEU A 22 0.344 -36.915 12.901 1.00 3.02 H new ATOM 369 N GLY A 23 -0.979 -38.232 17.442 1.00 23.41 N ATOM 370 CA GLY A 23 -0.315 -38.941 18.530 1.00 34.24 C ATOM 371 C GLY A 23 0.999 -39.571 18.092 1.00 64.34 C ATOM 372 O GLY A 23 1.233 -39.752 16.896 1.00 74.54 O ATOM 0 H GLY A 23 -1.097 -38.778 16.589 1.00 23.41 H new ATOM 0 HA2 GLY A 23 -0.128 -38.249 19.351 1.00 34.24 H new ATOM 0 HA3 GLY A 23 -0.978 -39.717 18.913 1.00 34.24 H new ATOM 376 N ALA A 24 1.847 -39.918 19.058 1.00 30.20 N ATOM 377 CA ALA A 24 3.161 -40.512 18.777 1.00 51.43 C ATOM 378 C ALA A 24 3.058 -41.713 17.824 1.00 42.41 C ATOM 379 O ALA A 24 3.823 -41.820 16.867 1.00 51.33 O ATOM 380 CB ALA A 24 3.836 -40.921 20.080 1.00 43.22 C ATOM 0 H ALA A 24 1.649 -39.798 20.051 1.00 30.20 H new ATOM 0 HA ALA A 24 3.768 -39.756 18.278 1.00 51.43 H new ATOM 0 HB1 ALA A 24 4.810 -41.361 19.863 1.00 43.22 H new ATOM 0 HB2 ALA A 24 3.967 -40.043 20.713 1.00 43.22 H new ATOM 0 HB3 ALA A 24 3.215 -41.652 20.598 1.00 43.22 H new ATOM 386 N ARG A 25 2.093 -42.598 18.079 1.00 3.42 N ATOM 387 CA ARG A 25 1.897 -43.795 17.243 1.00 12.43 C ATOM 388 C ARG A 25 1.580 -43.436 15.778 1.00 32.11 C ATOM 389 O ARG A 25 1.885 -44.201 14.861 1.00 41.12 O ATOM 390 CB ARG A 25 0.780 -44.678 17.815 1.00 2.01 C ATOM 391 CG ARG A 25 -0.591 -44.005 17.866 1.00 52.22 C ATOM 392 CD ARG A 25 -1.663 -44.944 18.414 1.00 41.24 C ATOM 393 NE ARG A 25 -1.336 -45.434 19.751 1.00 74.02 N ATOM 394 CZ ARG A 25 -2.155 -46.112 20.511 1.00 51.04 C ATOM 395 NH1 ARG A 25 -3.332 -46.450 20.092 1.00 42.52 N ATOM 396 NH2 ARG A 25 -1.776 -46.475 21.690 1.00 62.05 N ATOM 0 H ARG A 25 1.435 -42.514 18.853 1.00 3.42 H new ATOM 0 HA ARG A 25 2.837 -44.347 17.255 1.00 12.43 H new ATOM 0 HB2 ARG A 25 0.705 -45.584 17.213 1.00 2.01 H new ATOM 0 HB3 ARG A 25 1.058 -44.987 18.823 1.00 2.01 H new ATOM 0 HG2 ARG A 25 -0.535 -43.113 18.490 1.00 52.22 H new ATOM 0 HG3 ARG A 25 -0.872 -43.677 16.865 1.00 52.22 H new ATOM 0 HD2 ARG A 25 -2.620 -44.422 18.444 1.00 41.24 H new ATOM 0 HD3 ARG A 25 -1.782 -45.790 17.738 1.00 41.24 H new ATOM 0 HE ARG A 25 -0.405 -45.233 20.116 1.00 74.02 H new ATOM 0 HH11 ARG A 25 -3.634 -46.187 19.154 1.00 42.52 H new ATOM 0 HH12 ARG A 25 -3.957 -46.979 20.700 1.00 42.52 H new ATOM 0 HH21 ARG A 25 -0.843 -46.233 22.023 1.00 62.05 H new ATOM 0 HH22 ARG A 25 -2.410 -47.004 22.289 1.00 62.05 H new ATOM 410 N GLN A 26 0.962 -42.275 15.564 1.00 43.44 N ATOM 411 CA GLN A 26 0.637 -41.812 14.210 1.00 74.20 C ATOM 412 C GLN A 26 1.837 -41.083 13.577 1.00 75.14 C ATOM 413 O GLN A 26 2.189 -41.322 12.422 1.00 24.15 O ATOM 414 CB GLN A 26 -0.591 -40.885 14.241 1.00 51.42 C ATOM 415 CG GLN A 26 -1.104 -40.493 12.857 1.00 15.14 C ATOM 416 CD GLN A 26 -2.315 -39.573 12.901 1.00 22.15 C ATOM 417 OE1 GLN A 26 -2.503 -38.737 12.023 1.00 2.44 O ATOM 418 NE2 GLN A 26 -3.158 -39.729 13.906 1.00 13.43 N ATOM 0 H GLN A 26 0.676 -41.637 16.307 1.00 43.44 H new ATOM 0 HA GLN A 26 0.404 -42.685 13.600 1.00 74.20 H new ATOM 0 HB2 GLN A 26 -1.393 -41.379 14.789 1.00 51.42 H new ATOM 0 HB3 GLN A 26 -0.338 -39.980 14.794 1.00 51.42 H new ATOM 0 HG2 GLN A 26 -0.302 -40.001 12.306 1.00 15.14 H new ATOM 0 HG3 GLN A 26 -1.363 -41.396 12.304 1.00 15.14 H new ATOM 0 HE21 GLN A 26 -2.974 -40.433 14.621 1.00 13.43 H new ATOM 0 HE22 GLN A 26 -3.992 -39.146 13.967 1.00 13.43 H new ATOM 427 N ILE A 27 2.469 -40.200 14.355 1.00 23.13 N ATOM 428 CA ILE A 27 3.603 -39.399 13.872 1.00 41.31 C ATOM 429 C ILE A 27 4.813 -40.275 13.508 1.00 2.20 C ATOM 430 O ILE A 27 5.487 -40.032 12.503 1.00 43.51 O ATOM 431 CB ILE A 27 4.032 -38.341 14.925 1.00 12.31 C ATOM 432 CG1 ILE A 27 2.854 -37.400 15.240 1.00 33.40 C ATOM 433 CG2 ILE A 27 5.246 -37.539 14.435 1.00 32.30 C ATOM 434 CD1 ILE A 27 3.170 -36.344 16.279 1.00 74.42 C ATOM 0 H ILE A 27 2.215 -40.020 15.326 1.00 23.13 H new ATOM 0 HA ILE A 27 3.261 -38.891 12.970 1.00 41.31 H new ATOM 0 HB ILE A 27 4.320 -38.862 15.838 1.00 12.31 H new ATOM 0 HG12 ILE A 27 2.540 -36.907 14.320 1.00 33.40 H new ATOM 0 HG13 ILE A 27 2.009 -37.995 15.587 1.00 33.40 H new ATOM 0 HG21 ILE A 27 5.526 -36.805 15.191 1.00 32.30 H new ATOM 0 HG22 ILE A 27 6.082 -38.216 14.259 1.00 32.30 H new ATOM 0 HG23 ILE A 27 4.993 -37.026 13.507 1.00 32.30 H new ATOM 0 HD11 ILE A 27 2.290 -35.722 16.445 1.00 74.42 H new ATOM 0 HD12 ILE A 27 3.454 -36.827 17.214 1.00 74.42 H new ATOM 0 HD13 ILE A 27 3.993 -35.722 15.927 1.00 74.42 H new ATOM 446 N GLU A 28 5.082 -41.297 14.322 1.00 32.13 N ATOM 447 CA GLU A 28 6.228 -42.184 14.089 1.00 3.21 C ATOM 448 C GLU A 28 6.166 -42.847 12.704 1.00 2.31 C ATOM 449 O GLU A 28 7.199 -43.069 12.069 1.00 60.24 O ATOM 450 CB GLU A 28 6.323 -43.255 15.182 1.00 43.34 C ATOM 451 CG GLU A 28 5.166 -44.244 15.201 1.00 0.22 C ATOM 452 CD GLU A 28 5.358 -45.326 16.250 1.00 3.42 C ATOM 453 OE1 GLU A 28 4.947 -45.122 17.408 1.00 0.31 O ATOM 454 OE2 GLU A 28 5.949 -46.378 15.924 1.00 51.35 O ATOM 0 H GLU A 28 4.527 -41.532 15.145 1.00 32.13 H new ATOM 0 HA GLU A 28 7.124 -41.564 14.124 1.00 3.21 H new ATOM 0 HB2 GLU A 28 7.254 -43.807 15.052 1.00 43.34 H new ATOM 0 HB3 GLU A 28 6.378 -42.762 16.152 1.00 43.34 H new ATOM 0 HG2 GLU A 28 4.236 -43.710 15.397 1.00 0.22 H new ATOM 0 HG3 GLU A 28 5.068 -44.705 14.218 1.00 0.22 H new ATOM 461 N SER A 29 4.954 -43.150 12.238 1.00 11.22 N ATOM 462 CA SER A 29 4.761 -43.711 10.893 1.00 42.41 C ATOM 463 C SER A 29 5.186 -42.711 9.811 1.00 61.41 C ATOM 464 O SER A 29 5.836 -43.074 8.829 1.00 21.21 O ATOM 465 CB SER A 29 3.298 -44.116 10.673 1.00 14.31 C ATOM 466 OG SER A 29 3.099 -44.625 9.361 1.00 51.43 O ATOM 0 H SER A 29 4.092 -43.018 12.767 1.00 11.22 H new ATOM 0 HA SER A 29 5.390 -44.598 10.817 1.00 42.41 H new ATOM 0 HB2 SER A 29 3.012 -44.870 11.406 1.00 14.31 H new ATOM 0 HB3 SER A 29 2.651 -43.254 10.834 1.00 14.31 H new ATOM 0 HG SER A 29 2.159 -44.877 9.247 1.00 51.43 H new ATOM 472 N TYR A 30 4.828 -41.442 10.002 1.00 5.34 N ATOM 473 CA TYR A 30 5.217 -40.383 9.064 1.00 62.14 C ATOM 474 C TYR A 30 6.741 -40.192 9.046 1.00 12.03 C ATOM 475 O TYR A 30 7.327 -39.879 8.008 1.00 24.33 O ATOM 476 CB TYR A 30 4.527 -39.059 9.423 1.00 44.11 C ATOM 477 CG TYR A 30 3.011 -39.133 9.422 1.00 54.11 C ATOM 478 CD1 TYR A 30 2.319 -39.644 8.328 1.00 50.44 C ATOM 479 CD2 TYR A 30 2.271 -38.695 10.516 1.00 21.31 C ATOM 480 CE1 TYR A 30 0.939 -39.717 8.327 1.00 0.21 C ATOM 481 CE2 TYR A 30 0.892 -38.767 10.521 1.00 71.23 C ATOM 482 CZ TYR A 30 0.231 -39.278 9.424 1.00 73.11 C ATOM 483 OH TYR A 30 -1.147 -39.353 9.425 1.00 75.32 O ATOM 0 H TYR A 30 4.271 -41.120 10.794 1.00 5.34 H new ATOM 0 HA TYR A 30 4.896 -40.689 8.068 1.00 62.14 H new ATOM 0 HB2 TYR A 30 4.864 -38.741 10.410 1.00 44.11 H new ATOM 0 HB3 TYR A 30 4.844 -38.293 8.716 1.00 44.11 H new ATOM 0 HD1 TYR A 30 2.870 -39.989 7.465 1.00 50.44 H new ATOM 0 HD2 TYR A 30 2.784 -38.292 11.376 1.00 21.31 H new ATOM 0 HE1 TYR A 30 0.418 -40.117 7.470 1.00 0.21 H new ATOM 0 HE2 TYR A 30 0.334 -38.425 11.380 1.00 71.23 H new ATOM 0 HH TYR A 30 -1.487 -39.120 10.314 1.00 75.32 H new ATOM 493 N ARG A 31 7.384 -40.394 10.199 1.00 50.21 N ATOM 494 CA ARG A 31 8.848 -40.299 10.290 1.00 61.31 C ATOM 495 C ARG A 31 9.534 -41.361 9.409 1.00 60.44 C ATOM 496 O ARG A 31 10.665 -41.170 8.962 1.00 60.22 O ATOM 497 CB ARG A 31 9.322 -40.458 11.749 1.00 52.11 C ATOM 498 CG ARG A 31 8.705 -39.457 12.724 1.00 25.32 C ATOM 499 CD ARG A 31 9.374 -39.498 14.099 1.00 31.43 C ATOM 500 NE ARG A 31 9.329 -40.830 14.714 1.00 20.02 N ATOM 501 CZ ARG A 31 9.231 -41.047 16.002 1.00 70.13 C ATOM 502 NH1 ARG A 31 9.144 -40.063 16.838 1.00 12.24 N ATOM 503 NH2 ARG A 31 9.229 -42.261 16.448 1.00 54.43 N ATOM 0 H ARG A 31 6.920 -40.623 11.078 1.00 50.21 H new ATOM 0 HA ARG A 31 9.129 -39.310 9.929 1.00 61.31 H new ATOM 0 HB2 ARG A 31 9.088 -41.468 12.087 1.00 52.11 H new ATOM 0 HB3 ARG A 31 10.407 -40.355 11.779 1.00 52.11 H new ATOM 0 HG2 ARG A 31 8.790 -38.452 12.311 1.00 25.32 H new ATOM 0 HG3 ARG A 31 7.641 -39.668 12.834 1.00 25.32 H new ATOM 0 HD2 ARG A 31 10.413 -39.183 14.002 1.00 31.43 H new ATOM 0 HD3 ARG A 31 8.884 -38.782 14.758 1.00 31.43 H new ATOM 0 HE ARG A 31 9.377 -41.641 14.097 1.00 20.02 H new ATOM 0 HH11 ARG A 31 9.151 -39.102 16.497 1.00 12.24 H new ATOM 0 HH12 ARG A 31 9.068 -40.249 17.838 1.00 12.24 H new ATOM 0 HH21 ARG A 31 9.304 -43.043 15.798 1.00 54.43 H new ATOM 0 HH22 ARG A 31 9.153 -42.436 17.450 1.00 54.43 H new ATOM 517 N GLN A 32 8.835 -42.469 9.155 1.00 44.54 N ATOM 518 CA GLN A 32 9.392 -43.589 8.382 1.00 32.52 C ATOM 519 C GLN A 32 9.627 -43.229 6.903 1.00 4.21 C ATOM 520 O GLN A 32 10.603 -43.682 6.298 1.00 4.31 O ATOM 521 CB GLN A 32 8.464 -44.812 8.478 1.00 54.54 C ATOM 522 CG GLN A 32 8.270 -45.337 9.899 1.00 13.43 C ATOM 523 CD GLN A 32 9.563 -45.839 10.525 1.00 0.54 C ATOM 524 OE1 GLN A 32 10.296 -45.091 11.167 1.00 13.00 O ATOM 525 NE2 GLN A 32 9.855 -47.110 10.346 1.00 70.34 N ATOM 0 H GLN A 32 7.878 -42.618 9.474 1.00 44.54 H new ATOM 0 HA GLN A 32 10.363 -43.824 8.818 1.00 32.52 H new ATOM 0 HB2 GLN A 32 7.491 -44.550 8.063 1.00 54.54 H new ATOM 0 HB3 GLN A 32 8.870 -45.612 7.859 1.00 54.54 H new ATOM 0 HG2 GLN A 32 7.855 -44.544 10.521 1.00 13.43 H new ATOM 0 HG3 GLN A 32 7.540 -46.146 9.886 1.00 13.43 H new ATOM 0 HE21 GLN A 32 9.227 -47.707 9.808 1.00 70.34 H new ATOM 0 HE22 GLN A 32 10.710 -47.498 10.745 1.00 70.34 H new ATOM 534 N GLY A 33 8.735 -42.422 6.319 1.00 74.22 N ATOM 535 CA GLY A 33 8.868 -42.075 4.900 1.00 42.14 C ATOM 536 C GLY A 33 8.031 -40.876 4.460 1.00 35.42 C ATOM 537 O GLY A 33 7.509 -40.851 3.346 1.00 32.11 O ATOM 0 H GLY A 33 7.933 -42.006 6.792 1.00 74.22 H new ATOM 0 HA2 GLY A 33 9.917 -41.868 4.686 1.00 42.14 H new ATOM 0 HA3 GLY A 33 8.585 -42.940 4.300 1.00 42.14 H new ATOM 541 N ALA A 34 7.893 -39.885 5.333 1.00 21.42 N ATOM 542 CA ALA A 34 7.203 -38.634 4.983 1.00 32.44 C ATOM 543 C ALA A 34 7.951 -37.397 5.514 1.00 51.20 C ATOM 544 O ALA A 34 7.701 -36.266 5.083 1.00 4.42 O ATOM 545 CB ALA A 34 5.772 -38.652 5.510 1.00 53.53 C ATOM 0 H ALA A 34 8.247 -39.916 6.289 1.00 21.42 H new ATOM 0 HA ALA A 34 7.184 -38.565 3.895 1.00 32.44 H new ATOM 0 HB1 ALA A 34 5.274 -37.720 5.243 1.00 53.53 H new ATOM 0 HB2 ALA A 34 5.233 -39.490 5.069 1.00 53.53 H new ATOM 0 HB3 ALA A 34 5.785 -38.759 6.595 1.00 53.53 H new ATOM 551 N TRP A 35 8.859 -37.608 6.463 1.00 34.31 N ATOM 552 CA TRP A 35 9.631 -36.513 7.064 1.00 53.43 C ATOM 553 C TRP A 35 10.880 -36.160 6.234 1.00 4.52 C ATOM 554 O TRP A 35 11.826 -36.940 6.143 1.00 33.41 O ATOM 555 CB TRP A 35 10.036 -36.881 8.501 1.00 42.21 C ATOM 556 CG TRP A 35 9.014 -36.552 9.569 1.00 35.21 C ATOM 557 CD1 TRP A 35 9.251 -36.541 10.913 1.00 33.23 C ATOM 558 CD2 TRP A 35 7.627 -36.175 9.411 1.00 13.22 C ATOM 559 NE1 TRP A 35 8.113 -36.201 11.597 1.00 4.53 N ATOM 560 CE2 TRP A 35 7.106 -35.967 10.704 1.00 63.22 C ATOM 561 CE3 TRP A 35 6.771 -35.994 8.319 1.00 63.01 C ATOM 562 CZ2 TRP A 35 5.784 -35.590 10.930 1.00 53.41 C ATOM 563 CZ3 TRP A 35 5.460 -35.620 8.545 1.00 44.11 C ATOM 564 CH2 TRP A 35 4.978 -35.421 9.842 1.00 64.12 C ATOM 0 H TRP A 35 9.082 -38.530 6.837 1.00 34.31 H new ATOM 0 HA TRP A 35 8.991 -35.631 7.080 1.00 53.43 H new ATOM 0 HB2 TRP A 35 10.245 -37.950 8.539 1.00 42.21 H new ATOM 0 HB3 TRP A 35 10.966 -36.366 8.741 1.00 42.21 H new ATOM 0 HD1 TRP A 35 10.201 -36.768 11.373 1.00 33.23 H new ATOM 0 HE1 TRP A 35 8.031 -36.133 12.611 1.00 4.53 H new ATOM 0 HE3 TRP A 35 7.131 -36.145 7.312 1.00 63.01 H new ATOM 0 HZ2 TRP A 35 5.410 -35.437 11.932 1.00 53.41 H new ATOM 0 HZ3 TRP A 35 4.796 -35.479 7.705 1.00 44.11 H new ATOM 0 HH2 TRP A 35 3.948 -35.128 9.986 1.00 64.12 H new ATOM 575 N ILE A 36 10.866 -34.971 5.634 1.00 11.34 N ATOM 576 CA ILE A 36 12.013 -34.456 4.874 1.00 14.12 C ATOM 577 C ILE A 36 12.669 -33.285 5.623 1.00 63.15 C ATOM 578 O ILE A 36 11.976 -32.345 6.037 1.00 24.13 O ATOM 579 CB ILE A 36 11.568 -33.962 3.473 1.00 24.10 C ATOM 580 CG1 ILE A 36 10.810 -35.071 2.721 1.00 12.22 C ATOM 581 CG2 ILE A 36 12.770 -33.476 2.660 1.00 62.43 C ATOM 582 CD1 ILE A 36 10.249 -34.628 1.384 1.00 71.12 C ATOM 0 H ILE A 36 10.067 -34.338 5.658 1.00 11.34 H new ATOM 0 HA ILE A 36 12.728 -35.271 4.761 1.00 14.12 H new ATOM 0 HB ILE A 36 10.890 -33.119 3.609 1.00 24.10 H new ATOM 0 HG12 ILE A 36 11.482 -35.914 2.561 1.00 12.22 H new ATOM 0 HG13 ILE A 36 9.993 -35.429 3.347 1.00 12.22 H new ATOM 0 HG21 ILE A 36 12.433 -33.134 1.681 1.00 62.43 H new ATOM 0 HG22 ILE A 36 13.255 -32.653 3.184 1.00 62.43 H new ATOM 0 HG23 ILE A 36 13.479 -34.294 2.534 1.00 62.43 H new ATOM 0 HD11 ILE A 36 9.729 -35.462 0.913 1.00 71.12 H new ATOM 0 HD12 ILE A 36 9.551 -33.805 1.537 1.00 71.12 H new ATOM 0 HD13 ILE A 36 11.063 -34.298 0.739 1.00 71.12 H new ATOM 594 N GLU A 37 13.993 -33.334 5.801 1.00 13.14 N ATOM 595 CA GLU A 37 14.713 -32.259 6.500 1.00 24.31 C ATOM 596 C GLU A 37 14.719 -30.972 5.657 1.00 43.43 C ATOM 597 O GLU A 37 14.888 -31.010 4.438 1.00 22.23 O ATOM 598 CB GLU A 37 16.149 -32.691 6.865 1.00 34.34 C ATOM 599 CG GLU A 37 17.082 -32.904 5.673 1.00 4.42 C ATOM 600 CD GLU A 37 18.465 -33.403 6.087 1.00 32.54 C ATOM 601 OE1 GLU A 37 19.137 -32.727 6.896 1.00 11.21 O ATOM 602 OE2 GLU A 37 18.891 -34.473 5.602 1.00 12.35 O ATOM 0 H GLU A 37 14.585 -34.098 5.475 1.00 13.14 H new ATOM 0 HA GLU A 37 14.186 -32.052 7.432 1.00 24.31 H new ATOM 0 HB2 GLU A 37 16.585 -31.935 7.518 1.00 34.34 H new ATOM 0 HB3 GLU A 37 16.099 -33.617 7.438 1.00 34.34 H new ATOM 0 HG2 GLU A 37 16.631 -33.622 4.988 1.00 4.42 H new ATOM 0 HG3 GLU A 37 17.187 -31.966 5.127 1.00 4.42 H new ATOM 609 N GLY A 38 14.497 -29.836 6.311 1.00 74.52 N ATOM 610 CA GLY A 38 14.360 -28.567 5.603 1.00 72.43 C ATOM 611 C GLY A 38 12.906 -28.251 5.251 1.00 33.20 C ATOM 612 O GLY A 38 12.465 -27.107 5.366 1.00 5.11 O ATOM 0 H GLY A 38 14.408 -29.768 7.325 1.00 74.52 H new ATOM 0 HA2 GLY A 38 14.765 -27.764 6.220 1.00 72.43 H new ATOM 0 HA3 GLY A 38 14.954 -28.598 4.690 1.00 72.43 H new ATOM 616 N VAL A 39 12.161 -29.277 4.829 1.00 72.04 N ATOM 617 CA VAL A 39 10.747 -29.115 4.459 1.00 62.51 C ATOM 618 C VAL A 39 9.807 -29.308 5.664 1.00 62.23 C ATOM 619 O VAL A 39 9.114 -28.381 6.077 1.00 51.00 O ATOM 620 CB VAL A 39 10.340 -30.112 3.341 1.00 15.11 C ATOM 621 CG1 VAL A 39 8.872 -29.928 2.947 1.00 14.23 C ATOM 622 CG2 VAL A 39 11.250 -29.961 2.123 1.00 31.10 C ATOM 0 H VAL A 39 12.512 -30.230 4.734 1.00 72.04 H new ATOM 0 HA VAL A 39 10.643 -28.093 4.094 1.00 62.51 H new ATOM 0 HB VAL A 39 10.458 -31.122 3.733 1.00 15.11 H new ATOM 0 HG11 VAL A 39 8.614 -30.639 2.162 1.00 14.23 H new ATOM 0 HG12 VAL A 39 8.238 -30.101 3.816 1.00 14.23 H new ATOM 0 HG13 VAL A 39 8.718 -28.913 2.582 1.00 14.23 H new ATOM 0 HG21 VAL A 39 10.947 -30.669 1.352 1.00 31.10 H new ATOM 0 HG22 VAL A 39 11.172 -28.946 1.734 1.00 31.10 H new ATOM 0 HG23 VAL A 39 12.282 -30.160 2.413 1.00 31.10 H new ATOM 632 N HIS A 40 9.781 -30.522 6.220 1.00 60.34 N ATOM 633 CA HIS A 40 8.858 -30.848 7.320 1.00 43.43 C ATOM 634 C HIS A 40 9.507 -30.665 8.702 1.00 72.23 C ATOM 635 O HIS A 40 8.855 -30.206 9.641 1.00 73.32 O ATOM 636 CB HIS A 40 8.319 -32.279 7.162 1.00 14.52 C ATOM 637 CG HIS A 40 7.317 -32.419 6.051 1.00 15.31 C ATOM 638 ND1 HIS A 40 7.071 -33.604 5.386 1.00 51.32 N ATOM 639 CD2 HIS A 40 6.480 -31.507 5.501 1.00 2.22 C ATOM 640 CE1 HIS A 40 6.133 -33.411 4.480 1.00 11.31 C ATOM 641 NE2 HIS A 40 5.759 -32.151 4.531 1.00 31.30 N ATOM 0 H HIS A 40 10.383 -31.294 5.932 1.00 60.34 H new ATOM 0 HA HIS A 40 8.027 -30.145 7.262 1.00 43.43 H new ATOM 0 HB2 HIS A 40 9.153 -32.955 6.976 1.00 14.52 H new ATOM 0 HB3 HIS A 40 7.858 -32.591 8.099 1.00 14.52 H new ATOM 0 HD1 HIS A 40 7.542 -34.490 5.568 1.00 51.32 H new ATOM 0 HD2 HIS A 40 6.397 -30.466 5.776 1.00 2.22 H new ATOM 0 HE1 HIS A 40 5.739 -34.160 3.810 1.00 11.31 H new ATOM 650 N PHE A 41 10.785 -31.010 8.825 1.00 62.14 N ATOM 651 CA PHE A 41 11.502 -30.868 10.103 1.00 43.25 C ATOM 652 C PHE A 41 12.945 -30.403 9.878 1.00 2.10 C ATOM 653 O PHE A 41 13.395 -30.272 8.743 1.00 11.21 O ATOM 654 CB PHE A 41 11.507 -32.205 10.869 1.00 32.32 C ATOM 655 CG PHE A 41 12.474 -33.235 10.314 1.00 25.55 C ATOM 656 CD1 PHE A 41 12.126 -34.032 9.235 1.00 63.24 C ATOM 657 CD2 PHE A 41 13.734 -33.402 10.878 1.00 53.10 C ATOM 658 CE1 PHE A 41 13.011 -34.970 8.732 1.00 24.52 C ATOM 659 CE2 PHE A 41 14.620 -34.336 10.380 1.00 3.24 C ATOM 660 CZ PHE A 41 14.258 -35.121 9.304 1.00 13.20 C ATOM 0 H PHE A 41 11.349 -31.389 8.064 1.00 62.14 H new ATOM 0 HA PHE A 41 10.980 -30.115 10.693 1.00 43.25 H new ATOM 0 HB2 PHE A 41 11.758 -32.013 11.912 1.00 32.32 H new ATOM 0 HB3 PHE A 41 10.500 -32.623 10.855 1.00 32.32 H new ATOM 0 HD1 PHE A 41 11.152 -33.920 8.781 1.00 63.24 H new ATOM 0 HD2 PHE A 41 14.024 -32.791 11.720 1.00 53.10 H new ATOM 0 HE1 PHE A 41 12.725 -35.584 7.891 1.00 24.52 H new ATOM 0 HE2 PHE A 41 15.594 -34.452 10.831 1.00 3.24 H new ATOM 0 HZ PHE A 41 14.949 -35.852 8.910 1.00 13.20 H new ATOM 670 N LYS A 42 13.666 -30.154 10.964 1.00 43.40 N ATOM 671 CA LYS A 42 15.103 -29.881 10.884 1.00 63.12 C ATOM 672 C LYS A 42 15.840 -30.461 12.096 1.00 13.22 C ATOM 673 O LYS A 42 15.401 -30.305 13.239 1.00 44.43 O ATOM 674 CB LYS A 42 15.379 -28.371 10.774 1.00 71.44 C ATOM 675 CG LYS A 42 15.057 -27.575 12.039 1.00 73.31 C ATOM 676 CD LYS A 42 15.402 -26.094 11.887 1.00 24.11 C ATOM 677 CE LYS A 42 16.888 -25.871 11.623 1.00 34.23 C ATOM 678 NZ LYS A 42 17.212 -24.428 11.458 1.00 51.43 N ATOM 0 H LYS A 42 13.284 -30.135 11.910 1.00 43.40 H new ATOM 0 HA LYS A 42 15.477 -30.366 9.982 1.00 63.12 H new ATOM 0 HB2 LYS A 42 16.430 -28.224 10.525 1.00 71.44 H new ATOM 0 HB3 LYS A 42 14.795 -27.967 9.947 1.00 71.44 H new ATOM 0 HG2 LYS A 42 13.997 -27.678 12.272 1.00 73.31 H new ATOM 0 HG3 LYS A 42 15.611 -27.992 12.880 1.00 73.31 H new ATOM 0 HD2 LYS A 42 14.822 -25.670 11.067 1.00 24.11 H new ATOM 0 HD3 LYS A 42 15.112 -25.561 12.792 1.00 24.11 H new ATOM 0 HE2 LYS A 42 17.469 -26.281 12.449 1.00 34.23 H new ATOM 0 HE3 LYS A 42 17.183 -26.414 10.725 1.00 34.23 H new ATOM 0 HZ1 LYS A 42 18.231 -24.319 11.280 1.00 51.43 H new ATOM 0 HZ2 LYS A 42 16.677 -24.042 10.654 1.00 51.43 H new ATOM 0 HZ3 LYS A 42 16.955 -23.913 12.324 1.00 51.43 H new ATOM 692 N ARG A 43 16.946 -31.152 11.843 1.00 63.25 N ATOM 693 CA ARG A 43 17.800 -31.646 12.926 1.00 3.12 C ATOM 694 C ARG A 43 18.715 -30.525 13.440 1.00 22.23 C ATOM 695 O ARG A 43 19.712 -30.166 12.808 1.00 61.11 O ATOM 696 CB ARG A 43 18.611 -32.877 12.473 1.00 74.23 C ATOM 697 CG ARG A 43 19.142 -32.800 11.042 1.00 41.54 C ATOM 698 CD ARG A 43 19.884 -34.075 10.656 1.00 13.02 C ATOM 699 NE ARG A 43 20.138 -34.162 9.219 1.00 4.34 N ATOM 700 CZ ARG A 43 20.977 -35.003 8.676 1.00 43.53 C ATOM 701 NH1 ARG A 43 21.693 -35.791 9.417 1.00 74.30 N ATOM 702 NH2 ARG A 43 21.093 -35.054 7.390 1.00 15.23 N ATOM 0 H ARG A 43 17.274 -31.384 10.905 1.00 63.25 H new ATOM 0 HA ARG A 43 17.163 -31.964 13.751 1.00 3.12 H new ATOM 0 HB2 ARG A 43 19.453 -33.010 13.152 1.00 74.23 H new ATOM 0 HB3 ARG A 43 17.983 -33.763 12.566 1.00 74.23 H new ATOM 0 HG2 ARG A 43 18.313 -32.636 10.353 1.00 41.54 H new ATOM 0 HG3 ARG A 43 19.811 -31.944 10.946 1.00 41.54 H new ATOM 0 HD2 ARG A 43 20.832 -34.116 11.192 1.00 13.02 H new ATOM 0 HD3 ARG A 43 19.301 -34.940 10.972 1.00 13.02 H new ATOM 0 HE ARG A 43 19.629 -33.528 8.603 1.00 4.34 H new ATOM 0 HH11 ARG A 43 21.603 -35.757 10.432 1.00 74.30 H new ATOM 0 HH12 ARG A 43 22.346 -36.445 8.984 1.00 74.30 H new ATOM 0 HH21 ARG A 43 20.530 -34.439 6.802 1.00 15.23 H new ATOM 0 HH22 ARG A 43 21.747 -35.710 6.963 1.00 15.23 H new ATOM 716 N VAL A 44 18.339 -29.974 14.588 1.00 13.53 N ATOM 717 CA VAL A 44 19.010 -28.815 15.180 1.00 15.34 C ATOM 718 C VAL A 44 20.178 -29.223 16.087 1.00 51.44 C ATOM 719 O VAL A 44 20.015 -30.016 17.019 1.00 42.10 O ATOM 720 CB VAL A 44 18.001 -27.971 16.003 1.00 55.15 C ATOM 721 CG1 VAL A 44 18.691 -26.816 16.725 1.00 30.32 C ATOM 722 CG2 VAL A 44 16.880 -27.454 15.106 1.00 22.45 C ATOM 0 H VAL A 44 17.554 -30.319 15.141 1.00 13.53 H new ATOM 0 HA VAL A 44 19.409 -28.225 14.355 1.00 15.34 H new ATOM 0 HB VAL A 44 17.568 -28.621 16.764 1.00 55.15 H new ATOM 0 HG11 VAL A 44 17.953 -26.248 17.291 1.00 30.32 H new ATOM 0 HG12 VAL A 44 19.445 -27.211 17.406 1.00 30.32 H new ATOM 0 HG13 VAL A 44 19.169 -26.164 15.994 1.00 30.32 H new ATOM 0 HG21 VAL A 44 16.182 -26.864 15.700 1.00 22.45 H new ATOM 0 HG22 VAL A 44 17.303 -26.831 14.318 1.00 22.45 H new ATOM 0 HG23 VAL A 44 16.354 -28.297 14.659 1.00 22.45 H new ATOM 732 N SER A 45 21.354 -28.674 15.805 1.00 23.02 N ATOM 733 CA SER A 45 22.529 -28.873 16.659 1.00 3.21 C ATOM 734 C SER A 45 22.510 -27.896 17.846 1.00 60.11 C ATOM 735 O SER A 45 22.409 -26.683 17.647 1.00 75.14 O ATOM 736 CB SER A 45 23.818 -28.667 15.853 1.00 13.13 C ATOM 737 OG SER A 45 23.969 -29.656 14.845 1.00 21.03 O ATOM 0 H SER A 45 21.524 -28.085 14.990 1.00 23.02 H new ATOM 0 HA SER A 45 22.499 -29.895 17.038 1.00 3.21 H new ATOM 0 HB2 SER A 45 23.807 -27.678 15.394 1.00 13.13 H new ATOM 0 HB3 SER A 45 24.676 -28.697 16.524 1.00 13.13 H new ATOM 0 HG SER A 45 24.003 -29.224 13.966 1.00 21.03 H new ATOM 743 N PRO A 46 22.623 -28.399 19.096 1.00 31.13 N ATOM 744 CA PRO A 46 22.615 -27.542 20.302 1.00 73.22 C ATOM 745 C PRO A 46 23.745 -26.496 20.300 1.00 23.44 C ATOM 746 O PRO A 46 23.669 -25.479 20.990 1.00 31.31 O ATOM 747 CB PRO A 46 22.793 -28.541 21.462 1.00 32.31 C ATOM 748 CG PRO A 46 23.340 -29.780 20.830 1.00 70.34 C ATOM 749 CD PRO A 46 22.755 -29.826 19.444 1.00 21.24 C ATOM 0 HA PRO A 46 21.699 -26.955 20.370 1.00 73.22 H new ATOM 0 HB2 PRO A 46 23.475 -28.150 22.217 1.00 32.31 H new ATOM 0 HB3 PRO A 46 21.844 -28.739 21.961 1.00 32.31 H new ATOM 0 HG2 PRO A 46 24.429 -29.753 20.794 1.00 70.34 H new ATOM 0 HG3 PRO A 46 23.062 -30.666 21.401 1.00 70.34 H new ATOM 0 HD2 PRO A 46 23.407 -30.353 18.747 1.00 21.24 H new ATOM 0 HD3 PRO A 46 21.792 -30.337 19.428 1.00 21.24 H new ATOM 757 N SER A 47 24.796 -26.754 19.523 1.00 20.41 N ATOM 758 CA SER A 47 25.909 -25.808 19.383 1.00 64.33 C ATOM 759 C SER A 47 26.353 -25.683 17.923 1.00 64.24 C ATOM 760 O SER A 47 26.999 -26.583 17.381 1.00 54.50 O ATOM 761 CB SER A 47 27.102 -26.240 20.241 1.00 10.12 C ATOM 762 OG SER A 47 28.200 -25.357 20.063 1.00 30.53 O ATOM 0 H SER A 47 24.903 -27.610 18.979 1.00 20.41 H new ATOM 0 HA SER A 47 25.552 -24.837 19.725 1.00 64.33 H new ATOM 0 HB2 SER A 47 26.812 -26.259 21.291 1.00 10.12 H new ATOM 0 HB3 SER A 47 27.399 -27.254 19.974 1.00 10.12 H new ATOM 0 HG SER A 47 28.950 -25.651 20.621 1.00 30.53 H new ATOM 768 N GLY A 48 26.007 -24.564 17.294 1.00 10.55 N ATOM 769 CA GLY A 48 26.388 -24.330 15.908 1.00 21.34 C ATOM 770 C GLY A 48 25.760 -25.319 14.930 1.00 64.43 C ATOM 771 O GLY A 48 24.548 -25.291 14.699 1.00 24.35 O ATOM 0 H GLY A 48 25.467 -23.811 17.720 1.00 10.55 H new ATOM 0 HA2 GLY A 48 26.098 -23.318 15.626 1.00 21.34 H new ATOM 0 HA3 GLY A 48 27.473 -24.386 15.823 1.00 21.34 H new ATOM 775 N GLU A 49 26.582 -26.201 14.362 1.00 33.32 N ATOM 776 CA GLU A 49 26.112 -27.177 13.370 1.00 20.54 C ATOM 777 C GLU A 49 26.808 -28.542 13.524 1.00 10.14 C ATOM 778 O GLU A 49 27.769 -28.684 14.286 1.00 32.02 O ATOM 779 CB GLU A 49 26.360 -26.639 11.954 1.00 42.21 C ATOM 780 CG GLU A 49 27.832 -26.375 11.650 1.00 53.53 C ATOM 781 CD GLU A 49 28.069 -25.929 10.216 1.00 53.14 C ATOM 782 OE1 GLU A 49 28.251 -26.801 9.339 1.00 4.54 O ATOM 783 OE2 GLU A 49 28.082 -24.711 9.958 1.00 43.44 O ATOM 0 H GLU A 49 27.579 -26.262 14.570 1.00 33.32 H new ATOM 0 HA GLU A 49 25.045 -27.324 13.538 1.00 20.54 H new ATOM 0 HB2 GLU A 49 25.971 -27.354 11.229 1.00 42.21 H new ATOM 0 HB3 GLU A 49 25.799 -25.714 11.822 1.00 42.21 H new ATOM 0 HG2 GLU A 49 28.207 -25.610 12.330 1.00 53.53 H new ATOM 0 HG3 GLU A 49 28.406 -27.281 11.843 1.00 53.53 H new ATOM 790 N LYS A 50 26.287 -29.541 12.805 1.00 55.21 N ATOM 791 CA LYS A 50 26.914 -30.873 12.693 1.00 74.23 C ATOM 792 C LYS A 50 27.243 -31.521 14.052 1.00 62.33 C ATOM 793 O LYS A 50 28.134 -32.372 14.139 1.00 53.11 O ATOM 794 CB LYS A 50 28.183 -30.789 11.829 1.00 32.14 C ATOM 795 CG LYS A 50 27.910 -30.393 10.379 1.00 53.50 C ATOM 796 CD LYS A 50 29.189 -30.336 9.546 1.00 3.11 C ATOM 797 CE LYS A 50 30.177 -29.315 10.098 1.00 13.01 C ATOM 798 NZ LYS A 50 31.382 -29.173 9.237 1.00 21.31 N ATOM 0 H LYS A 50 25.416 -29.454 12.281 1.00 55.21 H new ATOM 0 HA LYS A 50 26.175 -31.518 12.217 1.00 74.23 H new ATOM 0 HB2 LYS A 50 28.867 -30.065 12.272 1.00 32.14 H new ATOM 0 HB3 LYS A 50 28.688 -31.755 11.844 1.00 32.14 H new ATOM 0 HG2 LYS A 50 27.219 -31.108 9.933 1.00 53.50 H new ATOM 0 HG3 LYS A 50 27.420 -29.420 10.356 1.00 53.50 H new ATOM 0 HD2 LYS A 50 29.656 -31.321 9.528 1.00 3.11 H new ATOM 0 HD3 LYS A 50 28.941 -30.082 8.515 1.00 3.11 H new ATOM 0 HE2 LYS A 50 29.683 -28.348 10.190 1.00 13.01 H new ATOM 0 HE3 LYS A 50 30.483 -29.614 11.101 1.00 13.01 H new ATOM 0 HZ1 LYS A 50 32.024 -28.468 9.652 1.00 21.31 H new ATOM 0 HZ2 LYS A 50 31.870 -30.089 9.169 1.00 21.31 H new ATOM 0 HZ3 LYS A 50 31.095 -28.862 8.287 1.00 21.31 H new ATOM 812 N THR A 51 26.504 -31.162 15.097 1.00 43.13 N ATOM 813 CA THR A 51 26.707 -31.771 16.421 1.00 40.42 C ATOM 814 C THR A 51 26.200 -33.225 16.432 1.00 42.53 C ATOM 815 O THR A 51 25.403 -33.619 15.580 1.00 15.03 O ATOM 816 CB THR A 51 25.983 -30.967 17.535 1.00 73.11 C ATOM 817 OG1 THR A 51 26.316 -29.574 17.439 1.00 24.23 O ATOM 818 CG2 THR A 51 26.357 -31.468 18.928 1.00 62.43 C ATOM 0 H THR A 51 25.765 -30.460 15.061 1.00 43.13 H new ATOM 0 HA THR A 51 27.778 -31.757 16.622 1.00 40.42 H new ATOM 0 HB THR A 51 24.912 -31.108 17.390 1.00 73.11 H new ATOM 0 HG1 THR A 51 26.219 -29.153 18.319 1.00 24.23 H new ATOM 0 HG21 THR A 51 25.830 -30.880 19.680 1.00 62.43 H new ATOM 0 HG22 THR A 51 26.076 -32.517 19.025 1.00 62.43 H new ATOM 0 HG23 THR A 51 27.432 -31.365 19.075 1.00 62.43 H new ATOM 826 N LEU A 52 26.657 -34.020 17.399 1.00 22.13 N ATOM 827 CA LEU A 52 26.240 -35.427 17.512 1.00 60.45 C ATOM 828 C LEU A 52 24.880 -35.554 18.231 1.00 61.11 C ATOM 829 O LEU A 52 24.534 -36.615 18.756 1.00 33.14 O ATOM 830 CB LEU A 52 27.315 -36.242 18.256 1.00 43.21 C ATOM 831 CG LEU A 52 28.688 -36.356 17.557 1.00 64.40 C ATOM 832 CD1 LEU A 52 28.536 -36.861 16.123 1.00 62.21 C ATOM 833 CD2 LEU A 52 29.444 -35.026 17.593 1.00 14.15 C ATOM 0 H LEU A 52 27.316 -33.719 18.117 1.00 22.13 H new ATOM 0 HA LEU A 52 26.124 -35.825 16.504 1.00 60.45 H new ATOM 0 HB2 LEU A 52 27.466 -35.794 19.238 1.00 43.21 H new ATOM 0 HB3 LEU A 52 26.930 -37.248 18.421 1.00 43.21 H new ATOM 0 HG LEU A 52 29.278 -37.087 18.109 1.00 64.40 H new ATOM 0 HD11 LEU A 52 29.518 -36.931 15.656 1.00 62.21 H new ATOM 0 HD12 LEU A 52 28.067 -37.845 16.132 1.00 62.21 H new ATOM 0 HD13 LEU A 52 27.914 -36.168 15.557 1.00 62.21 H new ATOM 0 HD21 LEU A 52 30.406 -35.141 17.093 1.00 14.15 H new ATOM 0 HD22 LEU A 52 28.859 -34.261 17.083 1.00 14.15 H new ATOM 0 HD23 LEU A 52 29.607 -34.728 18.629 1.00 14.15 H new ATOM 845 N ARG A 53 24.116 -34.460 18.243 1.00 62.04 N ATOM 846 CA ARG A 53 22.786 -34.423 18.861 1.00 12.13 C ATOM 847 C ARG A 53 21.791 -33.661 17.971 1.00 72.14 C ATOM 848 O ARG A 53 21.515 -32.482 18.198 1.00 41.11 O ATOM 849 CB ARG A 53 22.858 -33.765 20.251 1.00 53.04 C ATOM 850 CG ARG A 53 23.677 -34.555 21.269 1.00 10.14 C ATOM 851 CD ARG A 53 23.014 -35.880 21.628 1.00 21.54 C ATOM 852 NE ARG A 53 23.852 -36.691 22.511 1.00 5.30 N ATOM 853 CZ ARG A 53 23.578 -36.942 23.763 1.00 40.43 C ATOM 854 NH1 ARG A 53 22.548 -36.408 24.335 1.00 64.11 N ATOM 855 NH2 ARG A 53 24.353 -37.715 24.451 1.00 0.41 N ATOM 0 H ARG A 53 24.400 -33.574 17.825 1.00 62.04 H new ATOM 0 HA ARG A 53 22.436 -35.449 18.972 1.00 12.13 H new ATOM 0 HB2 ARG A 53 23.288 -32.769 20.148 1.00 53.04 H new ATOM 0 HB3 ARG A 53 21.846 -33.637 20.634 1.00 53.04 H new ATOM 0 HG2 ARG A 53 24.672 -34.745 20.866 1.00 10.14 H new ATOM 0 HG3 ARG A 53 23.807 -33.958 22.172 1.00 10.14 H new ATOM 0 HD2 ARG A 53 22.057 -35.687 22.113 1.00 21.54 H new ATOM 0 HD3 ARG A 53 22.802 -36.438 20.716 1.00 21.54 H new ATOM 0 HE ARG A 53 24.708 -37.087 22.123 1.00 5.30 H new ATOM 0 HH11 ARG A 53 21.939 -35.783 23.808 1.00 64.11 H new ATOM 0 HH12 ARG A 53 22.345 -36.612 25.314 1.00 64.11 H new ATOM 0 HH21 ARG A 53 25.178 -38.128 24.016 1.00 0.41 H new ATOM 0 HH22 ARG A 53 24.140 -37.911 25.429 1.00 0.41 H new ATOM 869 N GLY A 54 21.284 -34.330 16.940 1.00 51.13 N ATOM 870 CA GLY A 54 20.330 -33.703 16.032 1.00 14.15 C ATOM 871 C GLY A 54 18.931 -33.575 16.632 1.00 20.42 C ATOM 872 O GLY A 54 18.061 -34.411 16.381 1.00 24.10 O ATOM 0 H GLY A 54 21.515 -35.297 16.714 1.00 51.13 H new ATOM 0 HA2 GLY A 54 20.694 -32.713 15.758 1.00 14.15 H new ATOM 0 HA3 GLY A 54 20.273 -34.287 15.113 1.00 14.15 H new ATOM 876 N THR A 55 18.713 -32.528 17.428 1.00 14.11 N ATOM 877 CA THR A 55 17.402 -32.284 18.049 1.00 31.33 C ATOM 878 C THR A 55 16.373 -31.867 16.994 1.00 33.22 C ATOM 879 O THR A 55 16.472 -30.792 16.409 1.00 63.32 O ATOM 880 CB THR A 55 17.489 -31.180 19.132 1.00 0.45 C ATOM 881 OG1 THR A 55 18.488 -31.523 20.104 1.00 41.13 O ATOM 882 CG2 THR A 55 16.146 -30.981 19.830 1.00 3.14 C ATOM 0 H THR A 55 19.423 -31.834 17.660 1.00 14.11 H new ATOM 0 HA THR A 55 17.088 -33.217 18.518 1.00 31.33 H new ATOM 0 HB THR A 55 17.761 -30.247 18.638 1.00 0.45 H new ATOM 0 HG1 THR A 55 18.538 -30.819 20.784 1.00 41.13 H new ATOM 0 HG21 THR A 55 16.240 -30.200 20.584 1.00 3.14 H new ATOM 0 HG22 THR A 55 15.395 -30.689 19.097 1.00 3.14 H new ATOM 0 HG23 THR A 55 15.843 -31.912 20.308 1.00 3.14 H new ATOM 890 N THR A 56 15.374 -32.710 16.764 1.00 0.04 N ATOM 891 CA THR A 56 14.421 -32.492 15.667 1.00 42.54 C ATOM 892 C THR A 56 13.251 -31.580 16.061 1.00 24.52 C ATOM 893 O THR A 56 12.442 -31.915 16.927 1.00 11.24 O ATOM 894 CB THR A 56 13.857 -33.834 15.135 1.00 12.44 C ATOM 895 OG1 THR A 56 14.910 -34.614 14.544 1.00 12.23 O ATOM 896 CG2 THR A 56 12.752 -33.610 14.106 1.00 21.21 C ATOM 0 H THR A 56 15.197 -33.549 17.316 1.00 0.04 H new ATOM 0 HA THR A 56 14.989 -31.992 14.882 1.00 42.54 H new ATOM 0 HB THR A 56 13.431 -34.371 15.983 1.00 12.44 H new ATOM 0 HG1 THR A 56 14.544 -35.460 14.213 1.00 12.23 H new ATOM 0 HG21 THR A 56 12.381 -34.573 13.755 1.00 21.21 H new ATOM 0 HG22 THR A 56 11.936 -33.051 14.564 1.00 21.21 H new ATOM 0 HG23 THR A 56 13.149 -33.045 13.263 1.00 21.21 H new ATOM 904 N TRP A 57 13.178 -30.423 15.411 1.00 41.31 N ATOM 905 CA TRP A 57 12.032 -29.518 15.543 1.00 45.30 C ATOM 906 C TRP A 57 11.154 -29.589 14.282 1.00 31.23 C ATOM 907 O TRP A 57 11.668 -29.679 13.163 1.00 23.24 O ATOM 908 CB TRP A 57 12.516 -28.081 15.778 1.00 2.22 C ATOM 909 CG TRP A 57 13.236 -27.901 17.085 1.00 73.24 C ATOM 910 CD1 TRP A 57 14.487 -28.347 17.402 1.00 5.12 C ATOM 911 CD2 TRP A 57 12.750 -27.218 18.250 1.00 11.44 C ATOM 912 NE1 TRP A 57 14.806 -27.987 18.687 1.00 72.54 N ATOM 913 CE2 TRP A 57 13.756 -27.297 19.228 1.00 20.10 C ATOM 914 CE3 TRP A 57 11.562 -26.550 18.559 1.00 63.22 C ATOM 915 CZ2 TRP A 57 13.613 -26.733 20.491 1.00 33.14 C ATOM 916 CZ3 TRP A 57 11.419 -25.990 19.813 1.00 73.35 C ATOM 917 CH2 TRP A 57 12.441 -26.086 20.766 1.00 24.42 C ATOM 0 H TRP A 57 13.905 -30.084 14.781 1.00 41.31 H new ATOM 0 HA TRP A 57 11.435 -29.828 16.401 1.00 45.30 H new ATOM 0 HB2 TRP A 57 13.179 -27.791 14.963 1.00 2.22 H new ATOM 0 HB3 TRP A 57 11.660 -27.407 15.747 1.00 2.22 H new ATOM 0 HD1 TRP A 57 15.132 -28.903 16.737 1.00 5.12 H new ATOM 0 HE1 TRP A 57 15.683 -28.199 19.162 1.00 72.54 H new ATOM 0 HE3 TRP A 57 10.769 -26.473 17.829 1.00 63.22 H new ATOM 0 HZ2 TRP A 57 14.399 -26.804 21.228 1.00 33.14 H new ATOM 0 HZ3 TRP A 57 10.506 -25.470 20.063 1.00 73.35 H new ATOM 0 HH2 TRP A 57 12.300 -25.639 21.739 1.00 24.42 H new ATOM 928 N TYR A 58 9.834 -29.556 14.465 1.00 2.22 N ATOM 929 CA TYR A 58 8.885 -29.738 13.352 1.00 45.13 C ATOM 930 C TYR A 58 8.203 -28.419 12.943 1.00 21.45 C ATOM 931 O TYR A 58 7.919 -27.568 13.788 1.00 44.11 O ATOM 932 CB TYR A 58 7.814 -30.764 13.749 1.00 33.05 C ATOM 933 CG TYR A 58 8.378 -32.102 14.189 1.00 70.01 C ATOM 934 CD1 TYR A 58 8.771 -33.053 13.254 1.00 70.43 C ATOM 935 CD2 TYR A 58 8.517 -32.417 15.538 1.00 33.33 C ATOM 936 CE1 TYR A 58 9.282 -34.274 13.649 1.00 32.34 C ATOM 937 CE2 TYR A 58 9.027 -33.638 15.938 1.00 65.14 C ATOM 938 CZ TYR A 58 9.409 -34.563 14.990 1.00 4.13 C ATOM 939 OH TYR A 58 9.915 -35.783 15.383 1.00 31.15 O ATOM 0 H TYR A 58 9.391 -29.405 15.372 1.00 2.22 H new ATOM 0 HA TYR A 58 9.454 -30.095 12.494 1.00 45.13 H new ATOM 0 HB2 TYR A 58 7.211 -30.351 14.558 1.00 33.05 H new ATOM 0 HB3 TYR A 58 7.146 -30.923 12.903 1.00 33.05 H new ATOM 0 HD1 TYR A 58 8.675 -32.833 12.201 1.00 70.43 H new ATOM 0 HD2 TYR A 58 8.221 -31.695 16.285 1.00 33.33 H new ATOM 0 HE1 TYR A 58 9.581 -35.001 12.908 1.00 32.34 H new ATOM 0 HE2 TYR A 58 9.126 -33.866 16.989 1.00 65.14 H new ATOM 0 HH TYR A 58 9.940 -35.827 16.362 1.00 31.15 H new ATOM 949 N ASN A 59 7.943 -28.263 11.638 1.00 13.32 N ATOM 950 CA ASN A 59 7.195 -27.105 11.124 1.00 14.33 C ATOM 951 C ASN A 59 5.683 -27.318 11.272 1.00 53.45 C ATOM 952 O ASN A 59 5.096 -28.161 10.585 1.00 42.42 O ATOM 953 CB ASN A 59 7.509 -26.850 9.643 1.00 34.02 C ATOM 954 CG ASN A 59 8.939 -26.421 9.395 1.00 23.21 C ATOM 955 OD1 ASN A 59 9.261 -25.238 9.441 1.00 64.14 O ATOM 956 ND2 ASN A 59 9.803 -27.372 9.109 1.00 5.14 N ATOM 0 H ASN A 59 8.239 -28.923 10.919 1.00 13.32 H new ATOM 0 HA ASN A 59 7.505 -26.242 11.713 1.00 14.33 H new ATOM 0 HB2 ASN A 59 7.307 -27.758 9.075 1.00 34.02 H new ATOM 0 HB3 ASN A 59 6.836 -26.081 9.264 1.00 34.02 H new ATOM 0 HD21 ASN A 59 10.776 -27.136 8.917 1.00 5.14 H new ATOM 0 HD22 ASN A 59 9.499 -28.345 9.080 1.00 5.14 H new ATOM 963 N TYR A 60 5.055 -26.541 12.148 1.00 35.11 N ATOM 964 CA TYR A 60 3.600 -26.619 12.357 1.00 42.33 C ATOM 965 C TYR A 60 2.802 -26.438 11.034 1.00 21.43 C ATOM 966 O TYR A 60 1.986 -27.290 10.686 1.00 51.42 O ATOM 967 CB TYR A 60 3.164 -25.580 13.409 1.00 53.12 C ATOM 968 CG TYR A 60 1.683 -25.614 13.749 1.00 60.54 C ATOM 969 CD1 TYR A 60 1.163 -26.594 14.588 1.00 72.32 C ATOM 970 CD2 TYR A 60 0.807 -24.664 13.233 1.00 43.12 C ATOM 971 CE1 TYR A 60 -0.182 -26.625 14.901 1.00 14.31 C ATOM 972 CE2 TYR A 60 -0.538 -24.690 13.544 1.00 51.22 C ATOM 973 CZ TYR A 60 -1.028 -25.672 14.377 1.00 25.02 C ATOM 974 OH TYR A 60 -2.372 -25.702 14.685 1.00 70.04 O ATOM 0 H TYR A 60 5.525 -25.847 12.729 1.00 35.11 H new ATOM 0 HA TYR A 60 3.372 -27.619 12.725 1.00 42.33 H new ATOM 0 HB2 TYR A 60 3.738 -25.742 14.322 1.00 53.12 H new ATOM 0 HB3 TYR A 60 3.418 -24.584 13.046 1.00 53.12 H new ATOM 0 HD1 TYR A 60 1.822 -27.343 15.002 1.00 72.32 H new ATOM 0 HD2 TYR A 60 1.186 -23.893 12.578 1.00 43.12 H new ATOM 0 HE1 TYR A 60 -0.569 -27.393 15.554 1.00 14.31 H new ATOM 0 HE2 TYR A 60 -1.203 -23.944 13.136 1.00 51.22 H new ATOM 0 HH TYR A 60 -2.827 -24.960 14.235 1.00 70.04 H new ATOM 984 N PRO A 61 3.036 -25.348 10.258 1.00 12.44 N ATOM 985 CA PRO A 61 2.260 -25.076 9.027 1.00 5.15 C ATOM 986 C PRO A 61 2.506 -26.099 7.897 1.00 31.15 C ATOM 987 O PRO A 61 1.693 -26.230 6.981 1.00 2.10 O ATOM 988 CB PRO A 61 2.736 -23.676 8.610 1.00 53.11 C ATOM 989 CG PRO A 61 4.102 -23.557 9.193 1.00 20.33 C ATOM 990 CD PRO A 61 4.058 -24.306 10.497 1.00 42.32 C ATOM 0 HA PRO A 61 1.188 -25.146 9.212 1.00 5.15 H new ATOM 0 HB2 PRO A 61 2.757 -23.571 7.525 1.00 53.11 H new ATOM 0 HB3 PRO A 61 2.072 -22.901 8.993 1.00 53.11 H new ATOM 0 HG2 PRO A 61 4.851 -23.981 8.524 1.00 20.33 H new ATOM 0 HG3 PRO A 61 4.370 -22.512 9.351 1.00 20.33 H new ATOM 0 HD2 PRO A 61 5.026 -24.742 10.743 1.00 42.32 H new ATOM 0 HD3 PRO A 61 3.782 -23.654 11.326 1.00 42.32 H new ATOM 998 N GLU A 62 3.625 -26.821 7.960 1.00 71.11 N ATOM 999 CA GLU A 62 3.943 -27.839 6.946 1.00 1.13 C ATOM 1000 C GLU A 62 3.249 -29.169 7.249 1.00 24.01 C ATOM 1001 O GLU A 62 2.795 -29.868 6.339 1.00 15.44 O ATOM 1002 CB GLU A 62 5.457 -28.045 6.845 1.00 60.03 C ATOM 1003 CG GLU A 62 6.193 -26.852 6.253 1.00 24.14 C ATOM 1004 CD GLU A 62 5.719 -26.516 4.846 1.00 14.02 C ATOM 1005 OE1 GLU A 62 6.051 -27.274 3.908 1.00 55.34 O ATOM 1006 OE2 GLU A 62 5.026 -25.488 4.672 1.00 40.22 O ATOM 0 H GLU A 62 4.325 -26.725 8.695 1.00 71.11 H new ATOM 0 HA GLU A 62 3.571 -27.475 5.988 1.00 1.13 H new ATOM 0 HB2 GLU A 62 5.855 -28.251 7.839 1.00 60.03 H new ATOM 0 HB3 GLU A 62 5.656 -28.925 6.233 1.00 60.03 H new ATOM 0 HG2 GLU A 62 6.051 -25.985 6.898 1.00 24.14 H new ATOM 0 HG3 GLU A 62 7.262 -27.062 6.232 1.00 24.14 H new ATOM 1013 N ILE A 63 3.173 -29.524 8.527 1.00 73.43 N ATOM 1014 CA ILE A 63 2.450 -30.727 8.939 1.00 73.42 C ATOM 1015 C ILE A 63 0.937 -30.528 8.769 1.00 21.32 C ATOM 1016 O ILE A 63 0.240 -31.410 8.265 1.00 23.11 O ATOM 1017 CB ILE A 63 2.797 -31.128 10.396 1.00 35.24 C ATOM 1018 CG1 ILE A 63 4.302 -31.450 10.495 1.00 35.41 C ATOM 1019 CG2 ILE A 63 1.949 -32.320 10.856 1.00 12.23 C ATOM 1020 CD1 ILE A 63 4.757 -31.888 11.869 1.00 5.12 C ATOM 0 H ILE A 63 3.599 -29.002 9.293 1.00 73.43 H new ATOM 0 HA ILE A 63 2.766 -31.546 8.293 1.00 73.42 H new ATOM 0 HB ILE A 63 2.568 -30.292 11.057 1.00 35.24 H new ATOM 0 HG12 ILE A 63 4.541 -32.236 9.779 1.00 35.41 H new ATOM 0 HG13 ILE A 63 4.870 -30.567 10.201 1.00 35.41 H new ATOM 0 HG21 ILE A 63 2.213 -32.580 11.881 1.00 12.23 H new ATOM 0 HG22 ILE A 63 0.893 -32.055 10.809 1.00 12.23 H new ATOM 0 HG23 ILE A 63 2.138 -33.174 10.205 1.00 12.23 H new ATOM 0 HD11 ILE A 63 5.827 -32.094 11.849 1.00 5.12 H new ATOM 0 HD12 ILE A 63 4.553 -31.096 12.589 1.00 5.12 H new ATOM 0 HD13 ILE A 63 4.219 -32.790 12.160 1.00 5.12 H new ATOM 1032 N ASN A 64 0.435 -29.355 9.162 1.00 33.05 N ATOM 1033 CA ASN A 64 -0.960 -28.984 8.886 1.00 42.02 C ATOM 1034 C ASN A 64 -1.262 -29.053 7.378 1.00 4.12 C ATOM 1035 O ASN A 64 -2.353 -29.461 6.969 1.00 11.02 O ATOM 1036 CB ASN A 64 -1.264 -27.576 9.413 1.00 21.03 C ATOM 1037 CG ASN A 64 -1.306 -27.511 10.931 1.00 71.31 C ATOM 1038 OD1 ASN A 64 -0.612 -28.245 11.620 1.00 74.15 O ATOM 1039 ND2 ASN A 64 -2.127 -26.627 11.466 1.00 23.10 N ATOM 0 H ASN A 64 0.967 -28.648 9.669 1.00 33.05 H new ATOM 0 HA ASN A 64 -1.600 -29.700 9.403 1.00 42.02 H new ATOM 0 HB2 ASN A 64 -0.506 -26.884 9.045 1.00 21.03 H new ATOM 0 HB3 ASN A 64 -2.221 -27.242 9.013 1.00 21.03 H new ATOM 0 HD21 ASN A 64 -2.195 -26.543 12.480 1.00 23.10 H new ATOM 0 HD22 ASN A 64 -2.694 -26.028 10.865 1.00 23.10 H new ATOM 1046 N LYS A 65 -0.290 -28.642 6.558 1.00 42.44 N ATOM 1047 CA LYS A 65 -0.403 -28.768 5.100 1.00 30.10 C ATOM 1048 C LYS A 65 -0.583 -30.234 4.693 1.00 54.44 C ATOM 1049 O LYS A 65 -1.484 -30.565 3.929 1.00 44.21 O ATOM 1050 CB LYS A 65 0.838 -28.185 4.402 1.00 3.12 C ATOM 1051 CG LYS A 65 0.896 -28.476 2.901 1.00 31.31 C ATOM 1052 CD LYS A 65 2.170 -27.929 2.258 1.00 2.22 C ATOM 1053 CE LYS A 65 2.323 -28.396 0.812 1.00 14.12 C ATOM 1054 NZ LYS A 65 1.172 -27.989 -0.040 1.00 73.15 N ATOM 0 H LYS A 65 0.582 -28.220 6.877 1.00 42.44 H new ATOM 0 HA LYS A 65 -1.281 -28.204 4.786 1.00 30.10 H new ATOM 0 HB2 LYS A 65 0.856 -27.106 4.554 1.00 3.12 H new ATOM 0 HB3 LYS A 65 1.733 -28.588 4.876 1.00 3.12 H new ATOM 0 HG2 LYS A 65 0.842 -29.552 2.739 1.00 31.31 H new ATOM 0 HG3 LYS A 65 0.026 -28.036 2.413 1.00 31.31 H new ATOM 0 HD2 LYS A 65 2.153 -26.840 2.288 1.00 2.22 H new ATOM 0 HD3 LYS A 65 3.036 -28.250 2.837 1.00 2.22 H new ATOM 0 HE2 LYS A 65 3.243 -27.985 0.396 1.00 14.12 H new ATOM 0 HE3 LYS A 65 2.421 -29.481 0.792 1.00 14.12 H new ATOM 0 HZ1 LYS A 65 1.353 -28.269 -1.025 1.00 73.15 H new ATOM 0 HZ2 LYS A 65 0.307 -28.456 0.299 1.00 73.15 H new ATOM 0 HZ3 LYS A 65 1.051 -26.957 0.010 1.00 73.15 H new ATOM 1068 N PHE A 66 0.278 -31.105 5.217 1.00 60.24 N ATOM 1069 CA PHE A 66 0.207 -32.545 4.934 1.00 71.22 C ATOM 1070 C PHE A 66 -1.156 -33.130 5.357 1.00 51.30 C ATOM 1071 O PHE A 66 -1.750 -33.944 4.642 1.00 42.22 O ATOM 1072 CB PHE A 66 1.350 -33.274 5.658 1.00 71.33 C ATOM 1073 CG PHE A 66 1.422 -34.756 5.363 1.00 54.43 C ATOM 1074 CD1 PHE A 66 2.009 -35.217 4.191 1.00 52.53 C ATOM 1075 CD2 PHE A 66 0.901 -35.685 6.255 1.00 1.20 C ATOM 1076 CE1 PHE A 66 2.075 -36.570 3.917 1.00 62.44 C ATOM 1077 CE2 PHE A 66 0.965 -37.039 5.982 1.00 35.43 C ATOM 1078 CZ PHE A 66 1.553 -37.482 4.813 1.00 41.23 C ATOM 0 H PHE A 66 1.038 -30.840 5.844 1.00 60.24 H new ATOM 0 HA PHE A 66 0.312 -32.690 3.859 1.00 71.22 H new ATOM 0 HB2 PHE A 66 2.297 -32.812 5.377 1.00 71.33 H new ATOM 0 HB3 PHE A 66 1.233 -33.134 6.733 1.00 71.33 H new ATOM 0 HD1 PHE A 66 2.419 -34.509 3.485 1.00 52.53 H new ATOM 0 HD2 PHE A 66 0.441 -35.346 7.171 1.00 1.20 H new ATOM 0 HE1 PHE A 66 2.535 -36.914 3.002 1.00 62.44 H new ATOM 0 HE2 PHE A 66 0.555 -37.751 6.683 1.00 35.43 H new ATOM 0 HZ PHE A 66 1.604 -38.540 4.600 1.00 41.23 H new ATOM 1088 N ILE A 67 -1.644 -32.706 6.523 1.00 55.12 N ATOM 1089 CA ILE A 67 -2.951 -33.148 7.027 1.00 12.13 C ATOM 1090 C ILE A 67 -4.087 -32.717 6.083 1.00 52.00 C ATOM 1091 O ILE A 67 -4.882 -33.544 5.634 1.00 42.51 O ATOM 1092 CB ILE A 67 -3.225 -32.589 8.450 1.00 61.11 C ATOM 1093 CG1 ILE A 67 -2.146 -33.077 9.434 1.00 33.13 C ATOM 1094 CG2 ILE A 67 -4.623 -32.989 8.935 1.00 22.13 C ATOM 1095 CD1 ILE A 67 -2.272 -32.489 10.824 1.00 4.53 C ATOM 0 H ILE A 67 -1.156 -32.056 7.139 1.00 55.12 H new ATOM 0 HA ILE A 67 -2.922 -34.237 7.074 1.00 12.13 H new ATOM 0 HB ILE A 67 -3.185 -31.501 8.404 1.00 61.11 H new ATOM 0 HG12 ILE A 67 -2.197 -34.164 9.504 1.00 33.13 H new ATOM 0 HG13 ILE A 67 -1.163 -32.829 9.033 1.00 33.13 H new ATOM 0 HG21 ILE A 67 -4.791 -32.586 9.934 1.00 22.13 H new ATOM 0 HG22 ILE A 67 -5.373 -32.590 8.252 1.00 22.13 H new ATOM 0 HG23 ILE A 67 -4.701 -34.076 8.965 1.00 22.13 H new ATOM 0 HD11 ILE A 67 -1.477 -32.881 11.458 1.00 4.53 H new ATOM 0 HD12 ILE A 67 -2.190 -31.403 10.769 1.00 4.53 H new ATOM 0 HD13 ILE A 67 -3.240 -32.759 11.247 1.00 4.53 H new ATOM 1107 N ARG A 68 -4.150 -31.421 5.776 1.00 31.32 N ATOM 1108 CA ARG A 68 -5.180 -30.886 4.878 1.00 23.14 C ATOM 1109 C ARG A 68 -5.003 -31.400 3.442 1.00 33.41 C ATOM 1110 O ARG A 68 -5.970 -31.514 2.693 1.00 44.11 O ATOM 1111 CB ARG A 68 -5.169 -29.351 4.900 1.00 12.35 C ATOM 1112 CG ARG A 68 -5.550 -28.763 6.254 1.00 52.44 C ATOM 1113 CD ARG A 68 -5.759 -27.253 6.184 1.00 53.24 C ATOM 1114 NE ARG A 68 -4.515 -26.520 5.942 1.00 21.01 N ATOM 1115 CZ ARG A 68 -4.350 -25.251 6.215 1.00 53.43 C ATOM 1116 NH1 ARG A 68 -5.325 -24.556 6.709 1.00 12.30 N ATOM 1117 NH2 ARG A 68 -3.214 -24.678 5.980 1.00 72.03 N ATOM 0 H ARG A 68 -3.501 -30.720 6.135 1.00 31.32 H new ATOM 0 HA ARG A 68 -6.146 -31.238 5.240 1.00 23.14 H new ATOM 0 HB2 ARG A 68 -4.175 -28.998 4.625 1.00 12.35 H new ATOM 0 HB3 ARG A 68 -5.860 -28.979 4.143 1.00 12.35 H new ATOM 0 HG2 ARG A 68 -6.463 -29.239 6.612 1.00 52.44 H new ATOM 0 HG3 ARG A 68 -4.768 -28.987 6.980 1.00 52.44 H new ATOM 0 HD2 ARG A 68 -6.470 -27.025 5.390 1.00 53.24 H new ATOM 0 HD3 ARG A 68 -6.203 -26.908 7.118 1.00 53.24 H new ATOM 0 HE ARG A 68 -3.730 -27.029 5.536 1.00 21.01 H new ATOM 0 HH11 ARG A 68 -6.227 -24.998 6.887 1.00 12.30 H new ATOM 0 HH12 ARG A 68 -5.191 -23.567 6.920 1.00 12.30 H new ATOM 0 HH21 ARG A 68 -2.444 -25.216 5.581 1.00 72.03 H new ATOM 0 HH22 ARG A 68 -3.088 -23.689 6.194 1.00 72.03 H new ATOM 1131 N ASP A 69 -3.766 -31.707 3.071 1.00 11.12 N ATOM 1132 CA ASP A 69 -3.462 -32.294 1.759 1.00 5.21 C ATOM 1133 C ASP A 69 -4.018 -33.727 1.665 1.00 5.14 C ATOM 1134 O ASP A 69 -4.573 -34.129 0.642 1.00 10.23 O ATOM 1135 CB ASP A 69 -1.942 -32.286 1.533 1.00 60.01 C ATOM 1136 CG ASP A 69 -1.540 -32.814 0.168 1.00 3.43 C ATOM 1137 OD1 ASP A 69 -1.469 -32.013 -0.791 1.00 12.32 O ATOM 1138 OD2 ASP A 69 -1.289 -34.028 0.046 1.00 22.33 O ATOM 0 H ASP A 69 -2.947 -31.560 3.661 1.00 11.12 H new ATOM 0 HA ASP A 69 -3.940 -31.697 0.982 1.00 5.21 H new ATOM 0 HB2 ASP A 69 -1.569 -31.268 1.646 1.00 60.01 H new ATOM 0 HB3 ASP A 69 -1.463 -32.889 2.305 1.00 60.01 H new ATOM 1143 N SER A 70 -3.870 -34.487 2.746 1.00 74.12 N ATOM 1144 CA SER A 70 -4.421 -35.848 2.823 1.00 55.41 C ATOM 1145 C SER A 70 -5.953 -35.824 2.927 1.00 63.01 C ATOM 1146 O SER A 70 -6.636 -36.727 2.445 1.00 64.25 O ATOM 1147 CB SER A 70 -3.845 -36.594 4.036 1.00 50.03 C ATOM 1148 OG SER A 70 -2.428 -36.676 3.974 1.00 41.34 O ATOM 0 H SER A 70 -3.373 -34.188 3.585 1.00 74.12 H new ATOM 0 HA SER A 70 -4.139 -36.367 1.907 1.00 55.41 H new ATOM 0 HB2 SER A 70 -4.141 -36.083 4.952 1.00 50.03 H new ATOM 0 HB3 SER A 70 -4.267 -37.598 4.080 1.00 50.03 H new ATOM 0 HG SER A 70 -2.040 -35.800 4.181 1.00 41.34 H new ATOM 1154 N LEU A 71 -6.477 -34.784 3.569 1.00 14.11 N ATOM 1155 CA LEU A 71 -7.917 -34.655 3.818 1.00 34.21 C ATOM 1156 C LEU A 71 -8.686 -34.131 2.589 1.00 53.11 C ATOM 1157 O LEU A 71 -9.642 -34.763 2.134 1.00 63.13 O ATOM 1158 CB LEU A 71 -8.147 -33.712 5.011 1.00 60.43 C ATOM 1159 CG LEU A 71 -9.617 -33.480 5.405 1.00 10.34 C ATOM 1160 CD1 LEU A 71 -10.277 -34.788 5.843 1.00 52.33 C ATOM 1161 CD2 LEU A 71 -9.716 -32.427 6.509 1.00 32.21 C ATOM 0 H LEU A 71 -5.922 -34.008 3.931 1.00 14.11 H new ATOM 0 HA LEU A 71 -8.301 -35.651 4.038 1.00 34.21 H new ATOM 0 HB2 LEU A 71 -7.617 -34.113 5.875 1.00 60.43 H new ATOM 0 HB3 LEU A 71 -7.695 -32.747 4.780 1.00 60.43 H new ATOM 0 HG LEU A 71 -10.151 -33.111 4.529 1.00 10.34 H new ATOM 0 HD11 LEU A 71 -11.315 -34.598 6.116 1.00 52.33 H new ATOM 0 HD12 LEU A 71 -10.243 -35.505 5.023 1.00 52.33 H new ATOM 0 HD13 LEU A 71 -9.744 -35.194 6.703 1.00 52.33 H new ATOM 0 HD21 LEU A 71 -10.762 -32.276 6.775 1.00 32.21 H new ATOM 0 HD22 LEU A 71 -9.164 -32.766 7.386 1.00 32.21 H new ATOM 0 HD23 LEU A 71 -9.292 -31.487 6.155 1.00 32.21 H new ATOM 1173 N GLU A 72 -8.275 -32.960 2.086 1.00 63.41 N ATOM 1174 CA GLU A 72 -8.956 -32.260 0.974 1.00 22.03 C ATOM 1175 C GLU A 72 -10.325 -31.675 1.373 1.00 24.14 C ATOM 1176 O GLU A 72 -10.712 -30.607 0.889 1.00 44.10 O ATOM 1177 CB GLU A 72 -9.118 -33.158 -0.264 1.00 70.31 C ATOM 1178 CG GLU A 72 -7.819 -33.435 -1.012 1.00 13.12 C ATOM 1179 CD GLU A 72 -8.073 -33.886 -2.441 1.00 72.51 C ATOM 1180 OE1 GLU A 72 -8.491 -33.041 -3.264 1.00 44.01 O ATOM 1181 OE2 GLU A 72 -7.874 -35.081 -2.749 1.00 14.32 O ATOM 0 H GLU A 72 -7.456 -32.463 2.437 1.00 63.41 H new ATOM 0 HA GLU A 72 -8.300 -31.427 0.722 1.00 22.03 H new ATOM 0 HB2 GLU A 72 -9.555 -34.107 0.045 1.00 70.31 H new ATOM 0 HB3 GLU A 72 -9.825 -32.689 -0.949 1.00 70.31 H new ATOM 0 HG2 GLU A 72 -7.205 -32.534 -1.019 1.00 13.12 H new ATOM 0 HG3 GLU A 72 -7.253 -34.202 -0.484 1.00 13.12 H new ATOM 1188 N HIS A 73 -11.053 -32.367 2.245 1.00 11.44 N ATOM 1189 CA HIS A 73 -12.390 -31.940 2.666 1.00 10.35 C ATOM 1190 C HIS A 73 -12.407 -30.480 3.161 1.00 62.41 C ATOM 1191 O HIS A 73 -11.546 -30.063 3.939 1.00 32.13 O ATOM 1192 CB HIS A 73 -12.917 -32.875 3.763 1.00 4.03 C ATOM 1193 CG HIS A 73 -14.322 -32.573 4.191 1.00 61.42 C ATOM 1194 ND1 HIS A 73 -14.629 -31.745 5.250 1.00 24.50 N ATOM 1195 CD2 HIS A 73 -15.509 -32.990 3.692 1.00 25.41 C ATOM 1196 CE1 HIS A 73 -15.937 -31.665 5.379 1.00 54.33 C ATOM 1197 NE2 HIS A 73 -16.495 -32.409 4.449 1.00 53.33 N ATOM 0 H HIS A 73 -10.738 -33.235 2.679 1.00 11.44 H new ATOM 0 HA HIS A 73 -13.041 -31.994 1.793 1.00 10.35 H new ATOM 0 HB2 HIS A 73 -12.869 -33.903 3.405 1.00 4.03 H new ATOM 0 HB3 HIS A 73 -12.260 -32.809 4.631 1.00 4.03 H new ATOM 0 HD2 HIS A 73 -15.653 -33.656 2.854 1.00 25.41 H new ATOM 0 HE1 HIS A 73 -16.463 -31.086 6.123 1.00 54.33 H new ATOM 0 HE2 HIS A 73 -17.498 -32.534 4.313 1.00 53.33 H new ATOM 1206 N HIS A 74 -13.395 -29.722 2.680 1.00 54.32 N ATOM 1207 CA HIS A 74 -13.633 -28.327 3.087 1.00 42.22 C ATOM 1208 C HIS A 74 -12.646 -27.342 2.423 1.00 23.43 C ATOM 1209 O HIS A 74 -12.564 -26.176 2.817 1.00 44.34 O ATOM 1210 CB HIS A 74 -13.613 -28.188 4.622 1.00 55.51 C ATOM 1211 CG HIS A 74 -14.273 -26.938 5.125 1.00 42.12 C ATOM 1212 ND1 HIS A 74 -13.579 -25.876 5.661 1.00 31.22 N ATOM 1213 CD2 HIS A 74 -15.581 -26.589 5.174 1.00 13.14 C ATOM 1214 CE1 HIS A 74 -14.427 -24.932 6.017 1.00 14.10 C ATOM 1215 NE2 HIS A 74 -15.643 -25.339 5.731 1.00 63.20 N ATOM 0 H HIS A 74 -14.063 -30.060 1.988 1.00 54.32 H new ATOM 0 HA HIS A 74 -14.628 -28.059 2.733 1.00 42.22 H new ATOM 0 HB2 HIS A 74 -14.110 -29.053 5.062 1.00 55.51 H new ATOM 0 HB3 HIS A 74 -12.579 -28.205 4.966 1.00 55.51 H new ATOM 0 HD2 HIS A 74 -16.417 -27.184 4.837 1.00 13.14 H new ATOM 0 HE1 HIS A 74 -14.167 -23.985 6.467 1.00 14.10 H new ATOM 0 HE2 HIS A 74 -16.498 -24.808 5.897 1.00 63.20 H new ATOM 1224 N HIS A 75 -11.905 -27.808 1.412 1.00 11.41 N ATOM 1225 CA HIS A 75 -11.107 -26.907 0.566 1.00 2.32 C ATOM 1226 C HIS A 75 -12.007 -26.225 -0.475 1.00 70.44 C ATOM 1227 O HIS A 75 -12.194 -26.737 -1.577 1.00 42.32 O ATOM 1228 CB HIS A 75 -9.972 -27.661 -0.151 1.00 64.24 C ATOM 1229 CG HIS A 75 -8.767 -27.948 0.696 1.00 41.25 C ATOM 1230 ND1 HIS A 75 -7.919 -29.006 0.454 1.00 64.54 N ATOM 1231 CD2 HIS A 75 -8.230 -27.279 1.746 1.00 31.43 C ATOM 1232 CE1 HIS A 75 -6.922 -28.978 1.312 1.00 11.25 C ATOM 1233 NE2 HIS A 75 -7.078 -27.939 2.108 1.00 64.24 N ATOM 0 H HIS A 75 -11.840 -28.794 1.159 1.00 11.41 H new ATOM 0 HA HIS A 75 -10.660 -26.155 1.216 1.00 2.32 H new ATOM 0 HB2 HIS A 75 -10.365 -28.605 -0.529 1.00 64.24 H new ATOM 0 HB3 HIS A 75 -9.658 -27.077 -1.016 1.00 64.24 H new ATOM 0 HD1 HIS A 75 -8.045 -29.705 -0.279 1.00 64.54 H new ATOM 0 HD2 HIS A 75 -8.632 -26.392 2.212 1.00 31.43 H new ATOM 0 HE1 HIS A 75 -6.110 -29.689 1.357 1.00 11.25 H new ATOM 1242 N HIS A 76 -12.580 -25.080 -0.115 1.00 64.21 N ATOM 1243 CA HIS A 76 -13.496 -24.372 -1.012 1.00 60.41 C ATOM 1244 C HIS A 76 -12.728 -23.609 -2.105 1.00 24.03 C ATOM 1245 O HIS A 76 -11.815 -22.832 -1.816 1.00 64.51 O ATOM 1246 CB HIS A 76 -14.390 -23.413 -0.213 1.00 34.34 C ATOM 1247 CG HIS A 76 -15.553 -22.878 -0.997 1.00 54.12 C ATOM 1248 ND1 HIS A 76 -16.758 -23.538 -1.093 1.00 71.20 N ATOM 1249 CD2 HIS A 76 -15.696 -21.741 -1.720 1.00 60.41 C ATOM 1250 CE1 HIS A 76 -17.585 -22.837 -1.839 1.00 42.22 C ATOM 1251 NE2 HIS A 76 -16.968 -21.743 -2.231 1.00 4.40 N ATOM 0 H HIS A 76 -12.430 -24.623 0.784 1.00 64.21 H new ATOM 0 HA HIS A 76 -14.127 -25.113 -1.503 1.00 60.41 H new ATOM 0 HB2 HIS A 76 -14.766 -23.931 0.670 1.00 34.34 H new ATOM 0 HB3 HIS A 76 -13.786 -22.577 0.141 1.00 34.34 H new ATOM 0 HD2 HIS A 76 -14.948 -20.976 -1.866 1.00 60.41 H new ATOM 0 HE1 HIS A 76 -18.599 -23.113 -2.088 1.00 42.22 H new ATOM 0 HE2 HIS A 76 -17.371 -21.014 -2.820 1.00 4.40 H new ATOM 1260 N HIS A 77 -13.114 -23.832 -3.357 1.00 10.52 N ATOM 1261 CA HIS A 77 -12.464 -23.196 -4.511 1.00 61.21 C ATOM 1262 C HIS A 77 -13.398 -22.164 -5.163 1.00 21.33 C ATOM 1263 O HIS A 77 -14.617 -22.323 -5.138 1.00 23.21 O ATOM 1264 CB HIS A 77 -12.071 -24.274 -5.538 1.00 73.24 C ATOM 1265 CG HIS A 77 -11.291 -23.756 -6.714 1.00 62.14 C ATOM 1266 ND1 HIS A 77 -11.875 -23.111 -7.784 1.00 74.31 N ATOM 1267 CD2 HIS A 77 -9.963 -23.808 -6.995 1.00 43.14 C ATOM 1268 CE1 HIS A 77 -10.949 -22.791 -8.666 1.00 13.33 C ATOM 1269 NE2 HIS A 77 -9.783 -23.200 -8.215 1.00 14.23 N ATOM 0 H HIS A 77 -13.882 -24.455 -3.606 1.00 10.52 H new ATOM 0 HA HIS A 77 -11.570 -22.677 -4.167 1.00 61.21 H new ATOM 0 HB2 HIS A 77 -11.481 -25.040 -5.035 1.00 73.24 H new ATOM 0 HB3 HIS A 77 -12.977 -24.758 -5.903 1.00 73.24 H new ATOM 0 HD1 HIS A 77 -12.871 -22.912 -7.878 1.00 74.31 H new ATOM 0 HD2 HIS A 77 -9.193 -24.245 -6.376 1.00 43.14 H new ATOM 0 HE1 HIS A 77 -11.119 -22.279 -9.602 1.00 13.33 H new ATOM 1278 N HIS A 78 -12.828 -21.106 -5.747 1.00 44.01 N ATOM 1279 CA HIS A 78 -13.633 -20.117 -6.487 1.00 1.21 C ATOM 1280 C HIS A 78 -13.408 -20.239 -8.015 1.00 23.43 C ATOM 1281 O HIS A 78 -12.769 -19.352 -8.619 1.00 36.91 O ATOM 1282 CB HIS A 78 -13.349 -18.687 -5.969 1.00 35.05 C ATOM 1283 CG HIS A 78 -11.905 -18.261 -6.005 1.00 1.54 C ATOM 1284 ND1 HIS A 78 -10.996 -18.592 -5.023 1.00 74.35 N ATOM 1285 CD2 HIS A 78 -11.218 -17.509 -6.902 1.00 5.51 C ATOM 1286 CE1 HIS A 78 -9.822 -18.065 -5.312 1.00 11.03 C ATOM 1287 NE2 HIS A 78 -9.930 -17.405 -6.445 1.00 35.03 N ATOM 1288 OXT HIS A 78 -13.847 -21.258 -8.594 1.00 36.91 O ATOM 0 H HIS A 78 -11.827 -20.909 -5.726 1.00 44.01 H new ATOM 0 HA HIS A 78 -14.687 -20.328 -6.307 1.00 1.21 H new ATOM 0 HB2 HIS A 78 -13.933 -17.982 -6.561 1.00 35.05 H new ATOM 0 HB3 HIS A 78 -13.706 -18.613 -4.942 1.00 35.05 H new ATOM 0 HD2 HIS A 78 -11.613 -17.073 -7.808 1.00 5.51 H new ATOM 0 HE1 HIS A 78 -8.924 -18.159 -4.719 1.00 11.03 H new ATOM 0 HE2 HIS A 78 -9.176 -16.898 -6.909 1.00 35.03 H new TER 1297 HIS A 78