USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 592 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 91 SER OG : rot 140:sc= -1.02 USER MOD Set 1.2: A 93 TYR OH : rot -148:sc= 0.81 USER MOD Set 2.1: A 61 ASN : amide:sc= -2.18 X(o=-2.6,f=-2.6!) USER MOD Set 2.2: A 63 SER OG : rot 180:sc= -0.444 USER MOD Single : A 4 GLN : amide:sc= -0.313 K(o=-0.31,f=-1.4) USER MOD Single : A 5 ASN : amide:sc= -0.988 K(o=-0.99,f=-2.9!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0358 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.119) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 170:sc= -0.0891 (180deg=-0.272) USER MOD Single : A 34 ASN : amide:sc= -0.509 X(o=-0.51,f=-0.6) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.604 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -168:sc= -1.13! (180deg=-1.13!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.948 X(o=-0.95,f=-0.95) USER MOD Single : A 82 MET CE :methyl -156:sc= -0.363 (180deg=-1.23) USER MOD Single : A 83 ASN : amide:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0.32) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -99:sc= -0.858 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -1.99 X(o=-2,f=-1.6) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -1.24 K(o=-1.2,f=0.064) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 3 10.677 -2.805 4.237 1.00 44.43 N ATOM 19 CA ALA A 3 10.213 -4.152 3.925 1.00 11.12 C ATOM 20 C ALA A 3 9.646 -4.838 5.164 1.00 61.03 C ATOM 21 O ALA A 3 10.171 -5.854 5.617 1.00 54.54 O ATOM 22 CB ALA A 3 11.347 -4.977 3.335 1.00 3.04 C ATOM 0 HA ALA A 3 9.414 -4.073 3.188 1.00 11.12 H new ATOM 0 HB1 ALA A 3 10.987 -5.980 3.107 1.00 3.04 H new ATOM 0 HB2 ALA A 3 11.704 -4.503 2.421 1.00 3.04 H new ATOM 0 HB3 ALA A 3 12.164 -5.040 4.054 1.00 3.04 H new ATOM 28 N GLN A 4 8.572 -4.274 5.706 1.00 33.35 N ATOM 29 CA GLN A 4 7.934 -4.831 6.894 1.00 64.04 C ATOM 30 C GLN A 4 6.806 -5.782 6.511 1.00 62.41 C ATOM 31 O GLN A 4 5.970 -5.460 5.667 1.00 25.44 O ATOM 32 CB GLN A 4 7.394 -3.711 7.782 1.00 53.01 C ATOM 33 CG GLN A 4 6.582 -4.209 8.967 1.00 63.43 C ATOM 34 CD GLN A 4 7.348 -5.198 9.824 1.00 41.02 C ATOM 35 OE1 GLN A 4 8.579 -5.213 9.826 1.00 35.15 O ATOM 36 NE2 GLN A 4 6.621 -6.035 10.556 1.00 32.42 N ATOM 0 H GLN A 4 8.125 -3.432 5.342 1.00 33.35 H new ATOM 0 HA GLN A 4 8.685 -5.393 7.449 1.00 64.04 H new ATOM 0 HB2 GLN A 4 8.230 -3.116 8.150 1.00 53.01 H new ATOM 0 HB3 GLN A 4 6.772 -3.049 7.179 1.00 53.01 H new ATOM 0 HG2 GLN A 4 6.282 -3.359 9.580 1.00 63.43 H new ATOM 0 HG3 GLN A 4 5.668 -4.679 8.605 1.00 63.43 H new ATOM 0 HE21 GLN A 4 5.603 -5.988 10.524 1.00 32.42 H new ATOM 0 HE22 GLN A 4 7.081 -6.725 11.150 1.00 32.42 H new ATOM 43 N ASN A 5 6.787 -6.955 7.137 1.00 61.24 N ATOM 44 CA ASN A 5 5.761 -7.954 6.860 1.00 54.21 C ATOM 45 C ASN A 5 4.552 -7.757 7.769 1.00 74.32 C ATOM 46 O ASN A 5 4.676 -7.769 8.994 1.00 42.30 O ATOM 47 CB ASN A 5 6.329 -9.362 7.043 1.00 31.55 C ATOM 48 CG ASN A 5 6.505 -10.091 5.725 1.00 43.00 C ATOM 49 OD1 ASN A 5 5.701 -9.938 4.806 1.00 22.04 O ATOM 50 ND2 ASN A 5 7.562 -10.890 5.627 1.00 31.40 N ATOM 0 H ASN A 5 7.471 -7.237 7.840 1.00 61.24 H new ATOM 0 HA ASN A 5 5.439 -7.832 5.826 1.00 54.21 H new ATOM 0 HB2 ASN A 5 7.291 -9.299 7.552 1.00 31.55 H new ATOM 0 HB3 ASN A 5 5.665 -9.938 7.687 1.00 31.55 H new ATOM 0 HD21 ASN A 5 7.733 -11.407 4.764 1.00 31.40 H new ATOM 0 HD22 ASN A 5 8.203 -10.987 6.415 1.00 31.40 H new ATOM 56 N ILE A 6 3.385 -7.575 7.161 1.00 1.10 N ATOM 57 CA ILE A 6 2.154 -7.379 7.916 1.00 72.23 C ATOM 58 C ILE A 6 1.097 -8.404 7.521 1.00 32.04 C ATOM 59 O ILE A 6 0.769 -8.553 6.343 1.00 1.33 O ATOM 60 CB ILE A 6 1.584 -5.963 7.704 1.00 65.33 C ATOM 61 CG1 ILE A 6 2.515 -4.918 8.322 1.00 32.13 C ATOM 62 CG2 ILE A 6 0.190 -5.858 8.303 1.00 11.42 C ATOM 63 CD1 ILE A 6 2.633 -5.027 9.826 1.00 55.53 C ATOM 0 H ILE A 6 3.266 -7.559 6.148 1.00 1.10 H new ATOM 0 HA ILE A 6 2.406 -7.508 8.969 1.00 72.23 H new ATOM 0 HB ILE A 6 1.513 -5.772 6.633 1.00 65.33 H new ATOM 0 HG12 ILE A 6 3.506 -5.019 7.880 1.00 32.13 H new ATOM 0 HG13 ILE A 6 2.152 -3.923 8.065 1.00 32.13 H new ATOM 0 HG21 ILE A 6 -0.199 -4.852 8.145 1.00 11.42 H new ATOM 0 HG22 ILE A 6 -0.468 -6.581 7.822 1.00 11.42 H new ATOM 0 HG23 ILE A 6 0.237 -6.065 9.372 1.00 11.42 H new ATOM 0 HD11 ILE A 6 3.309 -4.255 10.195 1.00 55.53 H new ATOM 0 HD12 ILE A 6 1.650 -4.895 10.279 1.00 55.53 H new ATOM 0 HD13 ILE A 6 3.025 -6.009 10.090 1.00 55.53 H new ATOM 74 N THR A 7 0.564 -9.109 8.515 1.00 44.32 N ATOM 75 CA THR A 7 -0.457 -10.119 8.272 1.00 44.42 C ATOM 76 C THR A 7 -1.857 -9.539 8.435 1.00 75.25 C ATOM 77 O THR A 7 -2.096 -8.711 9.312 1.00 22.34 O ATOM 78 CB THR A 7 -0.297 -11.320 9.225 1.00 13.01 C ATOM 79 OG1 THR A 7 0.048 -10.860 10.536 1.00 42.31 O ATOM 80 CG2 THR A 7 0.772 -12.276 8.718 1.00 23.53 C ATOM 0 H THR A 7 0.823 -8.998 9.495 1.00 44.32 H new ATOM 0 HA THR A 7 -0.326 -10.459 7.245 1.00 44.42 H new ATOM 0 HB THR A 7 -1.247 -11.854 9.265 1.00 13.01 H new ATOM 0 HG1 THR A 7 0.146 -11.628 11.137 1.00 42.31 H new ATOM 0 HG21 THR A 7 0.866 -13.115 9.407 1.00 23.53 H new ATOM 0 HG22 THR A 7 0.491 -12.646 7.732 1.00 23.53 H new ATOM 0 HG23 THR A 7 1.726 -11.753 8.651 1.00 23.53 H new ATOM 88 N ALA A 8 -2.778 -9.979 7.584 1.00 52.20 N ATOM 89 CA ALA A 8 -4.155 -9.504 7.637 1.00 64.43 C ATOM 90 C ALA A 8 -5.129 -10.597 7.212 1.00 13.13 C ATOM 91 O ALA A 8 -4.723 -11.638 6.694 1.00 20.14 O ATOM 92 CB ALA A 8 -4.323 -8.275 6.756 1.00 72.43 C ATOM 0 H ALA A 8 -2.596 -10.663 6.850 1.00 52.20 H new ATOM 0 HA ALA A 8 -4.380 -9.233 8.668 1.00 64.43 H new ATOM 0 HB1 ALA A 8 -5.356 -7.931 6.805 1.00 72.43 H new ATOM 0 HB2 ALA A 8 -3.660 -7.484 7.105 1.00 72.43 H new ATOM 0 HB3 ALA A 8 -4.074 -8.529 5.726 1.00 72.43 H new ATOM 98 N ARG A 9 -6.417 -10.356 7.436 1.00 34.34 N ATOM 99 CA ARG A 9 -7.450 -11.320 7.079 1.00 1.54 C ATOM 100 C ARG A 9 -8.384 -10.749 6.017 1.00 62.01 C ATOM 101 O ARG A 9 -8.618 -9.541 5.967 1.00 63.14 O ATOM 102 CB ARG A 9 -8.252 -11.722 8.318 1.00 3.20 C ATOM 103 CG ARG A 9 -7.946 -13.126 8.814 1.00 53.42 C ATOM 104 CD ARG A 9 -7.250 -13.099 10.167 1.00 61.02 C ATOM 105 NE ARG A 9 -7.380 -14.369 10.874 1.00 43.11 N ATOM 106 CZ ARG A 9 -6.660 -14.694 11.942 1.00 22.12 C ATOM 107 NH1 ARG A 9 -5.764 -13.844 12.423 1.00 52.44 N ATOM 108 NH2 ARG A 9 -6.837 -15.869 12.532 1.00 62.43 N ATOM 0 H ARG A 9 -6.770 -9.500 7.864 1.00 34.34 H new ATOM 0 HA ARG A 9 -6.961 -12.204 6.669 1.00 1.54 H new ATOM 0 HB2 ARG A 9 -8.048 -11.011 9.118 1.00 3.20 H new ATOM 0 HB3 ARG A 9 -9.316 -11.650 8.091 1.00 3.20 H new ATOM 0 HG2 ARG A 9 -8.872 -13.696 8.891 1.00 53.42 H new ATOM 0 HG3 ARG A 9 -7.315 -13.640 8.089 1.00 53.42 H new ATOM 0 HD2 ARG A 9 -6.194 -12.869 10.027 1.00 61.02 H new ATOM 0 HD3 ARG A 9 -7.673 -12.300 10.776 1.00 61.02 H new ATOM 0 HE ARG A 9 -8.062 -15.045 10.529 1.00 43.11 H new ATOM 0 HH11 ARG A 9 -5.627 -12.939 11.973 1.00 52.44 H new ATOM 0 HH12 ARG A 9 -5.212 -14.095 13.243 1.00 52.44 H new ATOM 0 HH21 ARG A 9 -7.527 -16.525 12.166 1.00 62.43 H new ATOM 0 HH22 ARG A 9 -6.283 -16.117 13.352 1.00 62.43 H new ATOM 119 N ILE A 10 -8.915 -11.626 5.170 1.00 40.54 N ATOM 120 CA ILE A 10 -9.824 -11.209 4.110 1.00 52.11 C ATOM 121 C ILE A 10 -10.991 -10.406 4.672 1.00 73.52 C ATOM 122 O ILE A 10 -11.743 -10.889 5.514 1.00 5.51 O ATOM 123 CB ILE A 10 -10.375 -12.419 3.333 1.00 10.41 C ATOM 124 CG1 ILE A 10 -9.233 -13.186 2.664 1.00 50.41 C ATOM 125 CG2 ILE A 10 -11.393 -11.964 2.298 1.00 13.40 C ATOM 126 CD1 ILE A 10 -9.537 -14.652 2.443 1.00 0.55 C ATOM 0 H ILE A 10 -8.731 -12.629 5.198 1.00 40.54 H new ATOM 0 HA ILE A 10 -9.249 -10.582 3.429 1.00 52.11 H new ATOM 0 HB ILE A 10 -10.873 -13.087 4.035 1.00 10.41 H new ATOM 0 HG12 ILE A 10 -9.007 -12.721 1.704 1.00 50.41 H new ATOM 0 HG13 ILE A 10 -8.338 -13.098 3.279 1.00 50.41 H new ATOM 0 HG21 ILE A 10 -11.774 -12.830 1.757 1.00 13.40 H new ATOM 0 HG22 ILE A 10 -12.218 -11.457 2.798 1.00 13.40 H new ATOM 0 HG23 ILE A 10 -10.917 -11.278 1.597 1.00 13.40 H new ATOM 0 HD11 ILE A 10 -8.683 -15.133 1.965 1.00 0.55 H new ATOM 0 HD12 ILE A 10 -9.733 -15.131 3.402 1.00 0.55 H new ATOM 0 HD13 ILE A 10 -10.414 -14.749 1.803 1.00 0.55 H new ATOM 137 N GLY A 11 -11.137 -9.172 4.195 1.00 54.44 N ATOM 138 CA GLY A 11 -12.216 -8.320 4.660 1.00 61.22 C ATOM 139 C GLY A 11 -11.836 -7.523 5.892 1.00 63.23 C ATOM 140 O GLY A 11 -12.696 -6.931 6.545 1.00 43.43 O ATOM 0 H GLY A 11 -10.527 -8.748 3.496 1.00 54.44 H new ATOM 0 HA2 GLY A 11 -12.503 -7.635 3.862 1.00 61.22 H new ATOM 0 HA3 GLY A 11 -13.089 -8.934 4.883 1.00 61.22 H new ATOM 144 N GLU A 12 -10.546 -7.509 6.212 1.00 4.34 N ATOM 145 CA GLU A 12 -10.056 -6.781 7.376 1.00 4.22 C ATOM 146 C GLU A 12 -9.398 -5.468 6.960 1.00 61.03 C ATOM 147 O GLU A 12 -8.661 -5.399 5.976 1.00 73.21 O ATOM 148 CB GLU A 12 -9.060 -7.637 8.159 1.00 51.24 C ATOM 149 CG GLU A 12 -9.667 -8.907 8.734 1.00 73.12 C ATOM 150 CD GLU A 12 -11.013 -8.664 9.386 1.00 31.40 C ATOM 151 OE1 GLU A 12 -12.032 -8.674 8.665 1.00 22.44 O ATOM 152 OE2 GLU A 12 -11.047 -8.467 10.619 1.00 32.13 O ATOM 0 H GLU A 12 -9.822 -7.993 5.682 1.00 4.34 H new ATOM 0 HA GLU A 12 -10.909 -6.553 8.015 1.00 4.22 H new ATOM 0 HB2 GLU A 12 -8.231 -7.905 7.504 1.00 51.24 H new ATOM 0 HB3 GLU A 12 -8.644 -7.043 8.973 1.00 51.24 H new ATOM 0 HG2 GLU A 12 -9.780 -9.644 7.939 1.00 73.12 H new ATOM 0 HG3 GLU A 12 -8.983 -9.333 9.468 1.00 73.12 H new ATOM 157 N PRO A 13 -9.673 -4.401 7.724 1.00 14.14 N ATOM 158 CA PRO A 13 -9.118 -3.071 7.456 1.00 64.24 C ATOM 159 C PRO A 13 -7.619 -3.002 7.725 1.00 34.32 C ATOM 160 O PRO A 13 -7.119 -3.618 8.666 1.00 14.21 O ATOM 161 CB PRO A 13 -9.879 -2.167 8.429 1.00 55.42 C ATOM 162 CG PRO A 13 -10.292 -3.068 9.540 1.00 24.44 C ATOM 163 CD PRO A 13 -10.545 -4.411 8.911 1.00 12.41 C ATOM 0 HA PRO A 13 -9.231 -2.786 6.410 1.00 64.24 H new ATOM 0 HB2 PRO A 13 -9.248 -1.356 8.791 1.00 55.42 H new ATOM 0 HB3 PRO A 13 -10.744 -1.708 7.949 1.00 55.42 H new ATOM 0 HG2 PRO A 13 -9.513 -3.133 10.300 1.00 24.44 H new ATOM 0 HG3 PRO A 13 -11.188 -2.693 10.034 1.00 24.44 H new ATOM 0 HD2 PRO A 13 -10.292 -5.226 9.589 1.00 12.41 H new ATOM 0 HD3 PRO A 13 -11.593 -4.536 8.639 1.00 12.41 H new ATOM 168 N LEU A 14 -6.907 -2.248 6.894 1.00 43.22 N ATOM 169 CA LEU A 14 -5.465 -2.099 7.043 1.00 54.55 C ATOM 170 C LEU A 14 -5.018 -0.697 6.638 1.00 42.23 C ATOM 171 O LEU A 14 -5.549 -0.115 5.693 1.00 34.25 O ATOM 172 CB LEU A 14 -4.733 -3.144 6.198 1.00 2.41 C ATOM 173 CG LEU A 14 -3.257 -3.363 6.532 1.00 64.31 C ATOM 174 CD1 LEU A 14 -3.109 -3.974 7.919 1.00 75.43 C ATOM 175 CD2 LEU A 14 -2.599 -4.249 5.485 1.00 23.13 C ATOM 0 H LEU A 14 -7.306 -1.731 6.110 1.00 43.22 H new ATOM 0 HA LEU A 14 -5.216 -2.251 8.093 1.00 54.55 H new ATOM 0 HB2 LEU A 14 -5.254 -4.096 6.302 1.00 2.41 H new ATOM 0 HB3 LEU A 14 -4.808 -2.853 5.150 1.00 2.41 H new ATOM 0 HG LEU A 14 -2.755 -2.395 6.527 1.00 64.31 H new ATOM 0 HD11 LEU A 14 -2.052 -4.123 8.140 1.00 75.43 H new ATOM 0 HD12 LEU A 14 -3.544 -3.303 8.660 1.00 75.43 H new ATOM 0 HD13 LEU A 14 -3.625 -4.934 7.951 1.00 75.43 H new ATOM 0 HD21 LEU A 14 -1.549 -4.394 5.739 1.00 23.13 H new ATOM 0 HD22 LEU A 14 -3.103 -5.215 5.458 1.00 23.13 H new ATOM 0 HD23 LEU A 14 -2.673 -3.773 4.507 1.00 23.13 H new ATOM 186 N VAL A 15 -4.036 -0.164 7.358 1.00 73.02 N ATOM 187 CA VAL A 15 -3.515 1.168 7.072 1.00 41.03 C ATOM 188 C VAL A 15 -1.997 1.145 6.930 1.00 43.41 C ATOM 189 O VAL A 15 -1.310 0.393 7.621 1.00 42.44 O ATOM 190 CB VAL A 15 -3.901 2.170 8.174 1.00 31.55 C ATOM 191 CG1 VAL A 15 -3.425 3.569 7.816 1.00 74.41 C ATOM 192 CG2 VAL A 15 -5.406 2.155 8.405 1.00 41.11 C ATOM 0 H VAL A 15 -3.585 -0.634 8.143 1.00 73.02 H new ATOM 0 HA VAL A 15 -3.961 1.487 6.130 1.00 41.03 H new ATOM 0 HB VAL A 15 -3.410 1.870 9.100 1.00 31.55 H new ATOM 0 HG11 VAL A 15 -3.707 4.263 8.608 1.00 74.41 H new ATOM 0 HG12 VAL A 15 -2.341 3.567 7.705 1.00 74.41 H new ATOM 0 HG13 VAL A 15 -3.885 3.881 6.878 1.00 74.41 H new ATOM 0 HG21 VAL A 15 -5.661 2.870 9.188 1.00 41.11 H new ATOM 0 HG22 VAL A 15 -5.918 2.429 7.483 1.00 41.11 H new ATOM 0 HG23 VAL A 15 -5.717 1.156 8.710 1.00 41.11 H new ATOM 202 N LEU A 16 -1.481 1.975 6.030 1.00 0.20 N ATOM 203 CA LEU A 16 -0.042 2.051 5.798 1.00 73.43 C ATOM 204 C LEU A 16 0.433 3.501 5.802 1.00 13.31 C ATOM 205 O LEU A 16 -0.295 4.407 5.395 1.00 42.51 O ATOM 206 CB LEU A 16 0.315 1.389 4.467 1.00 72.32 C ATOM 207 CG LEU A 16 0.071 -0.118 4.380 1.00 41.41 C ATOM 208 CD1 LEU A 16 0.080 -0.578 2.931 1.00 53.24 C ATOM 209 CD2 LEU A 16 1.115 -0.874 5.188 1.00 2.11 C ATOM 0 H LEU A 16 -2.036 2.604 5.450 1.00 0.20 H new ATOM 0 HA LEU A 16 0.461 1.521 6.607 1.00 73.43 H new ATOM 0 HB2 LEU A 16 -0.257 1.876 3.677 1.00 72.32 H new ATOM 0 HB3 LEU A 16 1.368 1.579 4.261 1.00 72.32 H new ATOM 0 HG LEU A 16 -0.911 -0.333 4.801 1.00 41.41 H new ATOM 0 HD11 LEU A 16 -0.095 -1.653 2.889 1.00 53.24 H new ATOM 0 HD12 LEU A 16 -0.706 -0.061 2.380 1.00 53.24 H new ATOM 0 HD13 LEU A 16 1.047 -0.351 2.483 1.00 53.24 H new ATOM 0 HD21 LEU A 16 0.926 -1.945 5.115 1.00 2.11 H new ATOM 0 HD22 LEU A 16 2.108 -0.653 4.797 1.00 2.11 H new ATOM 0 HD23 LEU A 16 1.060 -0.566 6.232 1.00 2.11 H new ATOM 220 N LYS A 17 1.662 3.714 6.262 1.00 23.41 N ATOM 221 CA LYS A 17 2.237 5.052 6.316 1.00 54.13 C ATOM 222 C LYS A 17 3.414 5.177 5.352 1.00 15.25 C ATOM 223 O LYS A 17 4.077 4.188 5.035 1.00 73.31 O ATOM 224 CB LYS A 17 2.694 5.377 7.740 1.00 60.13 C ATOM 225 CG LYS A 17 3.206 6.796 7.907 1.00 62.52 C ATOM 226 CD LYS A 17 3.071 7.273 9.343 1.00 72.25 C ATOM 227 CE LYS A 17 1.669 7.786 9.631 1.00 21.14 C ATOM 228 NZ LYS A 17 1.441 7.990 11.089 1.00 42.04 N ATOM 0 H LYS A 17 2.278 2.976 6.603 1.00 23.41 H new ATOM 0 HA LYS A 17 1.467 5.763 6.017 1.00 54.13 H new ATOM 0 HB2 LYS A 17 1.861 5.218 8.425 1.00 60.13 H new ATOM 0 HB3 LYS A 17 3.481 4.680 8.028 1.00 60.13 H new ATOM 0 HG2 LYS A 17 4.252 6.844 7.604 1.00 62.52 H new ATOM 0 HG3 LYS A 17 2.652 7.464 7.247 1.00 62.52 H new ATOM 0 HD2 LYS A 17 3.307 6.454 10.023 1.00 72.25 H new ATOM 0 HD3 LYS A 17 3.795 8.065 9.534 1.00 72.25 H new ATOM 0 HE2 LYS A 17 1.511 8.727 9.104 1.00 21.14 H new ATOM 0 HE3 LYS A 17 0.937 7.077 9.245 1.00 21.14 H new ATOM 0 HZ1 LYS A 17 0.474 8.340 11.244 1.00 42.04 H new ATOM 0 HZ2 LYS A 17 1.567 7.087 11.590 1.00 42.04 H new ATOM 0 HZ3 LYS A 17 2.123 8.685 11.453 1.00 42.04 H new ATOM 238 N CYS A 18 3.670 6.397 4.893 1.00 33.30 N ATOM 239 CA CYS A 18 4.768 6.652 3.967 1.00 25.34 C ATOM 240 C CYS A 18 5.941 7.312 4.685 1.00 45.23 C ATOM 241 O CYS A 18 5.930 8.515 4.941 1.00 62.14 O ATOM 242 CB CYS A 18 4.294 7.541 2.816 1.00 34.44 C ATOM 243 SG CYS A 18 5.313 7.413 1.311 1.00 23.33 S ATOM 0 H CYS A 18 3.132 7.226 5.147 1.00 33.30 H new ATOM 0 HA CYS A 18 5.103 5.696 3.565 1.00 25.34 H new ATOM 0 HB2 CYS A 18 3.265 7.280 2.569 1.00 34.44 H new ATOM 0 HB3 CYS A 18 4.288 8.578 3.151 1.00 34.44 H new ATOM 247 N LYS A 19 6.954 6.514 5.007 1.00 73.33 N ATOM 248 CA LYS A 19 8.138 7.017 5.692 1.00 53.25 C ATOM 249 C LYS A 19 8.774 8.162 4.908 1.00 3.43 C ATOM 250 O LYS A 19 9.125 8.008 3.741 1.00 61.41 O ATOM 251 CB LYS A 19 9.157 5.893 5.889 1.00 3.43 C ATOM 252 CG LYS A 19 9.167 5.321 7.296 1.00 63.34 C ATOM 253 CD LYS A 19 7.971 4.415 7.539 1.00 41.10 C ATOM 254 CE LYS A 19 7.497 4.492 8.982 1.00 30.44 C ATOM 255 NZ LYS A 19 6.097 4.007 9.132 1.00 3.50 N ATOM 0 H LYS A 19 6.978 5.515 4.804 1.00 73.33 H new ATOM 0 HA LYS A 19 7.830 7.393 6.667 1.00 53.25 H new ATOM 0 HB2 LYS A 19 8.943 5.092 5.182 1.00 3.43 H new ATOM 0 HB3 LYS A 19 10.152 6.270 5.652 1.00 3.43 H new ATOM 0 HG2 LYS A 19 10.088 4.760 7.455 1.00 63.34 H new ATOM 0 HG3 LYS A 19 9.161 6.135 8.021 1.00 63.34 H new ATOM 0 HD2 LYS A 19 7.157 4.699 6.872 1.00 41.10 H new ATOM 0 HD3 LYS A 19 8.238 3.386 7.297 1.00 41.10 H new ATOM 0 HE2 LYS A 19 8.157 3.897 9.613 1.00 30.44 H new ATOM 0 HE3 LYS A 19 7.564 5.522 9.332 1.00 30.44 H new ATOM 0 HZ1 LYS A 19 5.645 4.493 9.932 1.00 3.50 H new ATOM 0 HZ2 LYS A 19 5.565 4.206 8.261 1.00 3.50 H new ATOM 0 HZ3 LYS A 19 6.102 2.982 9.308 1.00 3.50 H new ATOM 265 N GLY A 20 8.922 9.309 5.564 1.00 33.42 N ATOM 266 CA GLY A 20 9.518 10.462 4.914 1.00 30.40 C ATOM 267 C GLY A 20 8.624 11.685 4.968 1.00 21.34 C ATOM 268 O GLY A 20 9.099 12.803 5.170 1.00 0.10 O ATOM 0 H GLY A 20 8.640 9.460 6.533 1.00 33.42 H new ATOM 0 HA2 GLY A 20 10.471 10.691 5.390 1.00 30.40 H new ATOM 0 HA3 GLY A 20 9.732 10.218 3.873 1.00 30.40 H new ATOM 272 N ALA A 21 7.323 11.475 4.785 1.00 12.43 N ATOM 273 CA ALA A 21 6.361 12.568 4.815 1.00 60.22 C ATOM 274 C ALA A 21 5.806 12.774 6.220 1.00 72.10 C ATOM 275 O ALA A 21 5.352 11.836 6.877 1.00 32.11 O ATOM 276 CB ALA A 21 5.229 12.302 3.832 1.00 55.42 C ATOM 0 H ALA A 21 6.913 10.557 4.614 1.00 12.43 H new ATOM 0 HA ALA A 21 6.878 13.481 4.520 1.00 60.22 H new ATOM 0 HB1 ALA A 21 4.517 13.127 3.865 1.00 55.42 H new ATOM 0 HB2 ALA A 21 5.635 12.213 2.824 1.00 55.42 H new ATOM 0 HB3 ALA A 21 4.723 11.375 4.102 1.00 55.42 H new ATOM 282 N PRO A 22 5.842 14.027 6.695 1.00 62.34 N ATOM 283 CA PRO A 22 5.348 14.385 8.027 1.00 1.43 C ATOM 284 C PRO A 22 3.829 14.287 8.127 1.00 53.42 C ATOM 285 O PRO A 22 3.179 13.672 7.282 1.00 61.33 O ATOM 286 CB PRO A 22 5.802 15.836 8.197 1.00 2.55 C ATOM 287 CG PRO A 22 5.928 16.358 6.808 1.00 11.44 C ATOM 288 CD PRO A 22 6.370 15.194 5.966 1.00 24.20 C ATOM 0 HA PRO A 22 5.728 13.713 8.796 1.00 1.43 H new ATOM 0 HB2 PRO A 22 5.078 16.413 8.773 1.00 2.55 H new ATOM 0 HB3 PRO A 22 6.751 15.894 8.729 1.00 2.55 H new ATOM 0 HG2 PRO A 22 4.978 16.757 6.454 1.00 11.44 H new ATOM 0 HG3 PRO A 22 6.653 17.171 6.761 1.00 11.44 H new ATOM 0 HD2 PRO A 22 5.967 15.253 4.955 1.00 24.20 H new ATOM 0 HD3 PRO A 22 7.455 15.153 5.874 1.00 24.20 H new ATOM 293 N LYS A 23 3.269 14.897 9.165 1.00 34.34 N ATOM 294 CA LYS A 23 1.825 14.881 9.375 1.00 15.53 C ATOM 295 C LYS A 23 1.085 15.265 8.098 1.00 0.55 C ATOM 296 O LYS A 23 0.141 14.589 7.688 1.00 22.04 O ATOM 297 CB LYS A 23 1.443 15.838 10.507 1.00 33.42 C ATOM 298 CG LYS A 23 2.138 15.534 11.822 1.00 52.54 C ATOM 299 CD LYS A 23 1.735 14.173 12.365 1.00 21.42 C ATOM 300 CE LYS A 23 1.151 14.282 13.765 1.00 21.25 C ATOM 301 NZ LYS A 23 -0.338 14.294 13.746 1.00 53.33 N ATOM 0 H LYS A 23 3.792 15.409 9.875 1.00 34.34 H new ATOM 0 HA LYS A 23 1.534 13.867 9.651 1.00 15.53 H new ATOM 0 HB2 LYS A 23 1.684 16.858 10.206 1.00 33.42 H new ATOM 0 HB3 LYS A 23 0.364 15.796 10.658 1.00 33.42 H new ATOM 0 HG2 LYS A 23 3.218 15.564 11.679 1.00 52.54 H new ATOM 0 HG3 LYS A 23 1.891 16.305 12.552 1.00 52.54 H new ATOM 0 HD2 LYS A 23 1.003 13.717 11.699 1.00 21.42 H new ATOM 0 HD3 LYS A 23 2.604 13.515 12.382 1.00 21.42 H new ATOM 0 HE2 LYS A 23 1.500 13.445 14.370 1.00 21.25 H new ATOM 0 HE3 LYS A 23 1.515 15.193 14.241 1.00 21.25 H new ATOM 0 HZ1 LYS A 23 -0.697 14.369 14.719 1.00 53.33 H new ATOM 0 HZ2 LYS A 23 -0.672 15.107 13.190 1.00 53.33 H new ATOM 0 HZ3 LYS A 23 -0.687 13.414 13.316 1.00 53.33 H new ATOM 311 N LYS A 24 1.520 16.353 7.472 1.00 41.30 N ATOM 312 CA LYS A 24 0.901 16.824 6.239 1.00 13.22 C ATOM 313 C LYS A 24 1.792 16.532 5.036 1.00 35.53 C ATOM 314 O LYS A 24 3.009 16.386 5.155 1.00 63.05 O ATOM 315 CB LYS A 24 0.623 18.327 6.328 1.00 52.02 C ATOM 316 CG LYS A 24 1.791 19.189 5.879 1.00 32.24 C ATOM 317 CD LYS A 24 2.998 19.008 6.785 1.00 25.22 C ATOM 318 CE LYS A 24 3.833 20.277 6.861 1.00 3.13 C ATOM 319 NZ LYS A 24 4.711 20.290 8.066 1.00 72.04 N ATOM 0 H LYS A 24 2.299 16.925 7.798 1.00 41.30 H new ATOM 0 HA LYS A 24 -0.041 16.292 6.108 1.00 13.22 H new ATOM 0 HB2 LYS A 24 -0.248 18.564 5.717 1.00 52.02 H new ATOM 0 HB3 LYS A 24 0.369 18.581 7.357 1.00 52.02 H new ATOM 0 HG2 LYS A 24 2.062 18.932 4.855 1.00 32.24 H new ATOM 0 HG3 LYS A 24 1.491 20.237 5.876 1.00 32.24 H new ATOM 0 HD2 LYS A 24 2.665 18.730 7.785 1.00 25.22 H new ATOM 0 HD3 LYS A 24 3.613 18.188 6.414 1.00 25.22 H new ATOM 0 HE2 LYS A 24 4.446 20.363 5.964 1.00 3.13 H new ATOM 0 HE3 LYS A 24 3.174 21.145 6.882 1.00 3.13 H new ATOM 0 HZ1 LYS A 24 5.264 21.170 8.083 1.00 72.04 H new ATOM 0 HZ2 LYS A 24 4.125 20.233 8.923 1.00 72.04 H new ATOM 0 HZ3 LYS A 24 5.357 19.476 8.034 1.00 72.04 H new ATOM 366 N ARG A 28 5.420 16.609 -3.788 1.00 23.41 N ATOM 367 CA ARG A 28 4.755 15.587 -4.587 1.00 5.25 C ATOM 368 C ARG A 28 5.338 14.207 -4.299 1.00 65.12 C ATOM 369 O ARG A 28 6.555 14.037 -4.231 1.00 12.11 O ATOM 370 CB ARG A 28 4.886 15.908 -6.077 1.00 11.01 C ATOM 371 CG ARG A 28 3.959 15.089 -6.960 1.00 52.13 C ATOM 372 CD ARG A 28 4.387 15.144 -8.418 1.00 74.53 C ATOM 373 NE ARG A 28 4.043 16.421 -9.041 1.00 11.24 N ATOM 374 CZ ARG A 28 2.807 16.761 -9.387 1.00 42.13 C ATOM 375 NH1 ARG A 28 1.802 15.923 -9.173 1.00 13.12 N ATOM 376 NH2 ARG A 28 2.574 17.939 -9.948 1.00 72.10 N ATOM 0 HA ARG A 28 3.699 15.580 -4.316 1.00 5.25 H new ATOM 0 HB2 ARG A 28 4.679 16.967 -6.231 1.00 11.01 H new ATOM 0 HB3 ARG A 28 5.916 15.736 -6.388 1.00 11.01 H new ATOM 0 HG2 ARG A 28 3.952 14.053 -6.620 1.00 52.13 H new ATOM 0 HG3 ARG A 28 2.939 15.463 -6.864 1.00 52.13 H new ATOM 0 HD2 ARG A 28 5.463 14.985 -8.486 1.00 74.53 H new ATOM 0 HD3 ARG A 28 3.910 14.332 -8.967 1.00 74.53 H new ATOM 0 HE ARG A 28 4.794 17.088 -9.220 1.00 11.24 H new ATOM 0 HH11 ARG A 28 1.978 15.015 -8.742 1.00 13.12 H new ATOM 0 HH12 ARG A 28 0.853 16.186 -9.439 1.00 13.12 H new ATOM 0 HH21 ARG A 28 3.345 18.586 -10.115 1.00 72.10 H new ATOM 0 HH22 ARG A 28 1.624 18.199 -10.213 1.00 72.10 H new ATOM 387 N LEU A 29 4.460 13.223 -4.130 1.00 2.11 N ATOM 388 CA LEU A 29 4.887 11.856 -3.849 1.00 75.25 C ATOM 389 C LEU A 29 4.101 10.856 -4.690 1.00 22.43 C ATOM 390 O LEU A 29 2.985 11.140 -5.127 1.00 32.14 O ATOM 391 CB LEU A 29 4.711 11.542 -2.363 1.00 10.12 C ATOM 392 CG LEU A 29 3.320 11.801 -1.782 1.00 3.34 C ATOM 393 CD1 LEU A 29 2.374 10.665 -2.136 1.00 72.45 C ATOM 394 CD2 LEU A 29 3.397 11.982 -0.273 1.00 53.23 C ATOM 0 H LEU A 29 3.449 13.346 -4.183 1.00 2.11 H new ATOM 0 HA LEU A 29 5.942 11.770 -4.109 1.00 75.25 H new ATOM 0 HB2 LEU A 29 4.961 10.493 -2.202 1.00 10.12 H new ATOM 0 HB3 LEU A 29 5.434 12.132 -1.799 1.00 10.12 H new ATOM 0 HG LEU A 29 2.931 12.721 -2.219 1.00 3.34 H new ATOM 0 HD11 LEU A 29 1.389 10.867 -1.714 1.00 72.45 H new ATOM 0 HD12 LEU A 29 2.294 10.582 -3.220 1.00 72.45 H new ATOM 0 HD13 LEU A 29 2.759 9.730 -1.728 1.00 72.45 H new ATOM 0 HD21 LEU A 29 2.398 12.165 0.123 1.00 53.23 H new ATOM 0 HD22 LEU A 29 3.807 11.080 0.181 1.00 53.23 H new ATOM 0 HD23 LEU A 29 4.041 12.830 -0.041 1.00 53.23 H new ATOM 405 N GLU A 30 4.687 9.684 -4.909 1.00 54.02 N ATOM 406 CA GLU A 30 4.039 8.642 -5.695 1.00 64.14 C ATOM 407 C GLU A 30 3.876 7.364 -4.878 1.00 40.42 C ATOM 408 O GLU A 30 4.703 7.055 -4.019 1.00 61.34 O ATOM 409 CB GLU A 30 4.847 8.349 -6.962 1.00 14.55 C ATOM 410 CG GLU A 30 4.326 7.164 -7.756 1.00 52.32 C ATOM 411 CD GLU A 30 4.687 7.244 -9.227 1.00 63.01 C ATOM 412 OE1 GLU A 30 5.891 7.361 -9.537 1.00 42.41 O ATOM 413 OE2 GLU A 30 3.766 7.190 -10.068 1.00 23.34 O ATOM 0 H GLU A 30 5.609 9.432 -4.553 1.00 54.02 H new ATOM 0 HA GLU A 30 3.049 9.001 -5.978 1.00 64.14 H new ATOM 0 HB2 GLU A 30 4.841 9.233 -7.599 1.00 14.55 H new ATOM 0 HB3 GLU A 30 5.885 8.162 -6.686 1.00 14.55 H new ATOM 0 HG2 GLU A 30 4.731 6.243 -7.336 1.00 52.32 H new ATOM 0 HG3 GLU A 30 3.242 7.111 -7.654 1.00 52.32 H new ATOM 418 N TRP A 31 2.806 6.626 -5.149 1.00 51.01 N ATOM 419 CA TRP A 31 2.534 5.382 -4.437 1.00 71.42 C ATOM 420 C TRP A 31 2.230 4.252 -5.414 1.00 72.32 C ATOM 421 O TRP A 31 1.400 4.400 -6.312 1.00 2.32 O ATOM 422 CB TRP A 31 1.362 5.569 -3.473 1.00 14.52 C ATOM 423 CG TRP A 31 1.497 4.768 -2.212 1.00 52.12 C ATOM 424 CD1 TRP A 31 1.988 3.498 -2.097 1.00 34.32 C ATOM 425 CD2 TRP A 31 1.135 5.182 -0.891 1.00 24.41 C ATOM 426 NE1 TRP A 31 1.951 3.099 -0.783 1.00 53.05 N ATOM 427 CE2 TRP A 31 1.433 4.114 -0.022 1.00 51.45 C ATOM 428 CE3 TRP A 31 0.587 6.351 -0.356 1.00 73.44 C ATOM 429 CZ2 TRP A 31 1.203 4.182 1.348 1.00 34.04 C ATOM 430 CZ3 TRP A 31 0.359 6.418 1.005 1.00 24.32 C ATOM 431 CH2 TRP A 31 0.666 5.340 1.845 1.00 64.31 C ATOM 0 H TRP A 31 2.112 6.867 -5.857 1.00 51.01 H new ATOM 0 HA TRP A 31 3.424 5.115 -3.868 1.00 71.42 H new ATOM 0 HB2 TRP A 31 1.276 6.625 -3.217 1.00 14.52 H new ATOM 0 HB3 TRP A 31 0.438 5.287 -3.977 1.00 14.52 H new ATOM 0 HD1 TRP A 31 2.351 2.897 -2.918 1.00 34.32 H new ATOM 0 HE1 TRP A 31 2.259 2.193 -0.431 1.00 53.05 H new ATOM 0 HE3 TRP A 31 0.346 7.187 -0.995 1.00 73.44 H new ATOM 0 HZ2 TRP A 31 1.439 3.352 1.997 1.00 34.04 H new ATOM 0 HZ3 TRP A 31 -0.063 7.317 1.429 1.00 24.32 H new ATOM 0 HH2 TRP A 31 0.476 5.423 2.905 1.00 64.31 H new ATOM 441 N LYS A 32 2.906 3.124 -5.233 1.00 43.13 N ATOM 442 CA LYS A 32 2.707 1.966 -6.099 1.00 3.21 C ATOM 443 C LYS A 32 2.633 0.681 -5.279 1.00 14.02 C ATOM 444 O LYS A 32 3.419 0.478 -4.352 1.00 71.34 O ATOM 445 CB LYS A 32 3.841 1.866 -7.121 1.00 54.01 C ATOM 446 CG LYS A 32 3.505 2.491 -8.464 1.00 64.32 C ATOM 447 CD LYS A 32 4.551 2.152 -9.514 1.00 31.25 C ATOM 448 CE LYS A 32 5.657 3.196 -9.553 1.00 62.54 C ATOM 449 NZ LYS A 32 5.282 4.370 -10.391 1.00 45.42 N ATOM 0 H LYS A 32 3.597 2.985 -4.495 1.00 43.13 H new ATOM 0 HA LYS A 32 1.762 2.096 -6.626 1.00 3.21 H new ATOM 0 HB2 LYS A 32 4.729 2.352 -6.715 1.00 54.01 H new ATOM 0 HB3 LYS A 32 4.093 0.816 -7.271 1.00 54.01 H new ATOM 0 HG2 LYS A 32 2.528 2.140 -8.796 1.00 64.32 H new ATOM 0 HG3 LYS A 32 3.435 3.573 -8.355 1.00 64.32 H new ATOM 0 HD2 LYS A 32 4.980 1.173 -9.300 1.00 31.25 H new ATOM 0 HD3 LYS A 32 4.077 2.085 -10.493 1.00 31.25 H new ATOM 0 HE2 LYS A 32 5.878 3.529 -8.539 1.00 62.54 H new ATOM 0 HE3 LYS A 32 6.568 2.745 -9.946 1.00 62.54 H new ATOM 0 HZ1 LYS A 32 5.981 5.129 -10.259 1.00 45.42 H new ATOM 0 HZ2 LYS A 32 5.261 4.089 -11.392 1.00 45.42 H new ATOM 0 HZ3 LYS A 32 4.342 4.713 -10.108 1.00 45.42 H new ATOM 459 N LEU A 33 1.687 -0.184 -5.628 1.00 5.30 N ATOM 460 CA LEU A 33 1.512 -1.450 -4.926 1.00 44.22 C ATOM 461 C LEU A 33 1.237 -2.585 -5.909 1.00 72.23 C ATOM 462 O LEU A 33 0.482 -2.420 -6.866 1.00 14.35 O ATOM 463 CB LEU A 33 0.365 -1.344 -3.918 1.00 40.13 C ATOM 464 CG LEU A 33 -0.585 -0.161 -4.107 1.00 43.11 C ATOM 465 CD1 LEU A 33 -1.958 -0.485 -3.537 1.00 62.31 C ATOM 466 CD2 LEU A 33 -0.016 1.090 -3.455 1.00 31.12 C ATOM 0 H LEU A 33 1.030 -0.032 -6.393 1.00 5.30 H new ATOM 0 HA LEU A 33 2.437 -1.671 -4.393 1.00 44.22 H new ATOM 0 HB2 LEU A 33 -0.218 -2.264 -3.963 1.00 40.13 H new ATOM 0 HB3 LEU A 33 0.792 -1.286 -2.917 1.00 40.13 H new ATOM 0 HG LEU A 33 -0.692 0.028 -5.175 1.00 43.11 H new ATOM 0 HD11 LEU A 33 -2.622 0.368 -3.680 1.00 62.31 H new ATOM 0 HD12 LEU A 33 -2.369 -1.355 -4.050 1.00 62.31 H new ATOM 0 HD13 LEU A 33 -1.868 -0.701 -2.472 1.00 62.31 H new ATOM 0 HD21 LEU A 33 -0.706 1.922 -3.600 1.00 31.12 H new ATOM 0 HD22 LEU A 33 0.121 0.914 -2.388 1.00 31.12 H new ATOM 0 HD23 LEU A 33 0.945 1.332 -3.909 1.00 31.12 H new ATOM 477 N ASN A 34 1.853 -3.736 -5.663 1.00 54.25 N ATOM 478 CA ASN A 34 1.673 -4.898 -6.525 1.00 23.24 C ATOM 479 C ASN A 34 0.910 -6.002 -5.800 1.00 44.40 C ATOM 480 O ASN A 34 1.292 -6.420 -4.705 1.00 71.55 O ATOM 481 CB ASN A 34 3.030 -5.425 -6.995 1.00 43.45 C ATOM 482 CG ASN A 34 2.916 -6.757 -7.713 1.00 71.14 C ATOM 483 OD1 ASN A 34 2.847 -7.810 -7.081 1.00 64.12 O ATOM 484 ND2 ASN A 34 2.898 -6.714 -9.039 1.00 61.25 N ATOM 0 H ASN A 34 2.481 -3.889 -4.874 1.00 54.25 H new ATOM 0 HA ASN A 34 1.090 -4.588 -7.392 1.00 23.24 H new ATOM 0 HB2 ASN A 34 3.490 -4.695 -7.661 1.00 43.45 H new ATOM 0 HB3 ASN A 34 3.692 -5.534 -6.136 1.00 43.45 H new ATOM 0 HD21 ASN A 34 2.824 -7.578 -9.576 1.00 61.25 H new ATOM 0 HD22 ASN A 34 2.958 -5.817 -9.521 1.00 61.25 H new ATOM 490 N THR A 35 -0.171 -6.470 -6.414 1.00 63.31 N ATOM 491 CA THR A 35 -0.988 -7.524 -5.828 1.00 12.22 C ATOM 492 C THR A 35 -1.409 -8.544 -6.880 1.00 3.31 C ATOM 493 O THR A 35 -1.067 -8.416 -8.054 1.00 73.41 O ATOM 494 CB THR A 35 -2.249 -6.948 -5.154 1.00 40.22 C ATOM 495 OG1 THR A 35 -3.044 -6.251 -6.119 1.00 74.12 O ATOM 496 CG2 THR A 35 -1.874 -6.006 -4.022 1.00 0.23 C ATOM 0 H THR A 35 -0.502 -6.135 -7.319 1.00 63.31 H new ATOM 0 HA THR A 35 -0.374 -8.017 -5.074 1.00 12.22 H new ATOM 0 HB THR A 35 -2.824 -7.776 -4.740 1.00 40.22 H new ATOM 0 HG1 THR A 35 -3.844 -5.889 -5.684 1.00 74.12 H new ATOM 0 HG21 THR A 35 -2.780 -5.612 -3.561 1.00 0.23 H new ATOM 0 HG22 THR A 35 -1.293 -6.548 -3.275 1.00 0.23 H new ATOM 0 HG23 THR A 35 -1.279 -5.182 -4.416 1.00 0.23 H new ATOM 504 N GLY A 36 -2.154 -9.559 -6.450 1.00 33.13 N ATOM 505 CA GLY A 36 -2.610 -10.586 -7.367 1.00 71.22 C ATOM 506 C GLY A 36 -1.490 -11.509 -7.806 1.00 64.23 C ATOM 507 O GLY A 36 -0.747 -12.033 -6.977 1.00 21.31 O ATOM 0 H GLY A 36 -2.449 -9.687 -5.482 1.00 33.13 H new ATOM 0 HA2 GLY A 36 -3.395 -11.173 -6.889 1.00 71.22 H new ATOM 0 HA3 GLY A 36 -3.054 -10.115 -8.244 1.00 71.22 H new ATOM 511 N ARG A 37 -1.370 -11.710 -9.115 1.00 72.12 N ATOM 512 CA ARG A 37 -0.335 -12.579 -9.662 1.00 3.32 C ATOM 513 C ARG A 37 0.689 -11.772 -10.457 1.00 21.02 C ATOM 514 O ARG A 37 1.885 -12.058 -10.420 1.00 12.10 O ATOM 515 CB ARG A 37 -0.959 -13.652 -10.556 1.00 20.42 C ATOM 516 CG ARG A 37 -1.991 -14.512 -9.845 1.00 21.55 C ATOM 517 CD ARG A 37 -1.346 -15.404 -8.796 1.00 54.32 C ATOM 518 NE ARG A 37 -0.344 -16.295 -9.376 1.00 71.11 N ATOM 519 CZ ARG A 37 0.564 -16.946 -8.658 1.00 63.45 C ATOM 520 NH1 ARG A 37 0.597 -16.806 -7.342 1.00 12.05 N ATOM 521 NH2 ARG A 37 1.442 -17.740 -9.259 1.00 31.34 N ATOM 0 H ARG A 37 -1.976 -11.283 -9.815 1.00 72.12 H new ATOM 0 HA ARG A 37 0.176 -13.062 -8.829 1.00 3.32 H new ATOM 0 HB2 ARG A 37 -1.429 -13.170 -11.414 1.00 20.42 H new ATOM 0 HB3 ARG A 37 -0.169 -14.294 -10.944 1.00 20.42 H new ATOM 0 HG2 ARG A 37 -2.736 -13.872 -9.372 1.00 21.55 H new ATOM 0 HG3 ARG A 37 -2.517 -15.128 -10.574 1.00 21.55 H new ATOM 0 HD2 ARG A 37 -0.880 -14.784 -8.030 1.00 54.32 H new ATOM 0 HD3 ARG A 37 -2.116 -15.997 -8.302 1.00 54.32 H new ATOM 0 HE ARG A 37 -0.342 -16.424 -10.388 1.00 71.11 H new ATOM 0 HH11 ARG A 37 -0.076 -16.197 -6.877 1.00 12.05 H new ATOM 0 HH12 ARG A 37 1.295 -17.307 -6.793 1.00 12.05 H new ATOM 0 HH21 ARG A 37 1.419 -17.850 -10.273 1.00 31.34 H new ATOM 0 HH22 ARG A 37 2.139 -18.240 -8.707 1.00 31.34 H new ATOM 532 N THR A 38 0.209 -10.762 -11.175 1.00 51.32 N ATOM 533 CA THR A 38 1.080 -9.915 -11.980 1.00 14.21 C ATOM 534 C THR A 38 0.285 -8.822 -12.685 1.00 33.21 C ATOM 535 O THR A 38 0.795 -7.727 -12.920 1.00 52.02 O ATOM 536 CB THR A 38 1.847 -10.738 -13.032 1.00 74.51 C ATOM 537 OG1 THR A 38 2.930 -9.965 -13.564 1.00 24.43 O ATOM 538 CG2 THR A 38 0.921 -11.166 -14.162 1.00 72.05 C ATOM 0 H THR A 38 -0.779 -10.510 -11.216 1.00 51.32 H new ATOM 0 HA THR A 38 1.795 -9.456 -11.297 1.00 14.21 H new ATOM 0 HB THR A 38 2.242 -11.631 -12.547 1.00 74.51 H new ATOM 0 HG1 THR A 38 3.414 -10.495 -14.231 1.00 24.43 H new ATOM 0 HG21 THR A 38 1.484 -11.746 -14.894 1.00 72.05 H new ATOM 0 HG22 THR A 38 0.113 -11.776 -13.759 1.00 72.05 H new ATOM 0 HG23 THR A 38 0.502 -10.282 -14.644 1.00 72.05 H new ATOM 546 N GLU A 39 -0.964 -9.126 -13.020 1.00 31.14 N ATOM 547 CA GLU A 39 -1.828 -8.167 -13.697 1.00 62.43 C ATOM 548 C GLU A 39 -2.825 -7.548 -12.722 1.00 65.53 C ATOM 549 O GLU A 39 -3.961 -7.243 -13.090 1.00 51.30 O ATOM 550 CB GLU A 39 -2.576 -8.847 -14.847 1.00 30.12 C ATOM 551 CG GLU A 39 -1.672 -9.280 -15.989 1.00 34.21 C ATOM 552 CD GLU A 39 -1.687 -8.304 -17.149 1.00 1.13 C ATOM 553 OE1 GLU A 39 -2.790 -7.975 -17.635 1.00 74.34 O ATOM 554 OE2 GLU A 39 -0.596 -7.867 -17.570 1.00 32.31 O ATOM 0 H GLU A 39 -1.400 -10.029 -12.834 1.00 31.14 H new ATOM 0 HA GLU A 39 -1.201 -7.372 -14.100 1.00 62.43 H new ATOM 0 HB2 GLU A 39 -3.103 -9.720 -14.461 1.00 30.12 H new ATOM 0 HB3 GLU A 39 -3.332 -8.163 -15.232 1.00 30.12 H new ATOM 0 HG2 GLU A 39 -0.652 -9.384 -15.620 1.00 34.21 H new ATOM 0 HG3 GLU A 39 -1.985 -10.263 -16.342 1.00 34.21 H new ATOM 559 N ALA A 40 -2.394 -7.367 -11.479 1.00 21.54 N ATOM 560 CA ALA A 40 -3.247 -6.783 -10.452 1.00 22.24 C ATOM 561 C ALA A 40 -2.605 -5.541 -9.844 1.00 60.02 C ATOM 562 O ALA A 40 -3.222 -4.840 -9.044 1.00 23.34 O ATOM 563 CB ALA A 40 -3.544 -7.810 -9.367 1.00 71.42 C ATOM 0 H ALA A 40 -1.458 -7.617 -11.158 1.00 21.54 H new ATOM 0 HA ALA A 40 -4.184 -6.482 -10.921 1.00 22.24 H new ATOM 0 HB1 ALA A 40 -4.182 -7.361 -8.606 1.00 71.42 H new ATOM 0 HB2 ALA A 40 -4.053 -8.668 -9.807 1.00 71.42 H new ATOM 0 HB3 ALA A 40 -2.610 -8.137 -8.910 1.00 71.42 H new ATOM 569 N TRP A 41 -1.361 -5.275 -10.231 1.00 24.55 N ATOM 570 CA TRP A 41 -0.636 -4.117 -9.723 1.00 52.21 C ATOM 571 C TRP A 41 -1.372 -2.823 -10.055 1.00 23.05 C ATOM 572 O TRP A 41 -1.787 -2.608 -11.194 1.00 33.32 O ATOM 573 CB TRP A 41 0.777 -4.077 -10.309 1.00 61.23 C ATOM 574 CG TRP A 41 0.802 -3.780 -11.779 1.00 3.44 C ATOM 575 CD1 TRP A 41 0.387 -4.601 -12.788 1.00 3.30 C ATOM 576 CD2 TRP A 41 1.270 -2.578 -12.401 1.00 45.11 C ATOM 577 NE1 TRP A 41 0.568 -3.983 -14.001 1.00 14.01 N ATOM 578 CE2 TRP A 41 1.107 -2.741 -13.791 1.00 64.23 C ATOM 579 CE3 TRP A 41 1.807 -1.381 -11.921 1.00 5.14 C ATOM 580 CZ2 TRP A 41 1.464 -1.750 -14.703 1.00 20.22 C ATOM 581 CZ3 TRP A 41 2.161 -0.400 -12.826 1.00 64.53 C ATOM 582 CH2 TRP A 41 1.988 -0.588 -14.205 1.00 5.44 C ATOM 0 H TRP A 41 -0.835 -5.845 -10.894 1.00 24.55 H new ATOM 0 HA TRP A 41 -0.571 -4.208 -8.639 1.00 52.21 H new ATOM 0 HB2 TRP A 41 1.360 -3.321 -9.783 1.00 61.23 H new ATOM 0 HB3 TRP A 41 1.264 -5.036 -10.131 1.00 61.23 H new ATOM 0 HD1 TRP A 41 -0.023 -5.591 -12.652 1.00 3.30 H new ATOM 0 HE1 TRP A 41 0.338 -4.384 -14.911 1.00 14.01 H new ATOM 0 HE3 TRP A 41 1.943 -1.226 -10.861 1.00 5.14 H new ATOM 0 HZ2 TRP A 41 1.332 -1.894 -15.765 1.00 20.22 H new ATOM 0 HZ3 TRP A 41 2.579 0.529 -12.466 1.00 64.53 H new ATOM 0 HH2 TRP A 41 2.274 0.199 -14.887 1.00 5.44 H new ATOM 592 N LYS A 42 -1.532 -1.966 -9.053 1.00 24.20 N ATOM 593 CA LYS A 42 -2.220 -0.693 -9.237 1.00 63.15 C ATOM 594 C LYS A 42 -1.375 0.462 -8.711 1.00 14.03 C ATOM 595 O LYS A 42 -0.549 0.283 -7.814 1.00 64.10 O ATOM 596 CB LYS A 42 -3.575 -0.712 -8.528 1.00 42.13 C ATOM 597 CG LYS A 42 -3.482 -1.042 -7.048 1.00 51.15 C ATOM 598 CD LYS A 42 -3.750 -2.516 -6.788 1.00 53.43 C ATOM 599 CE LYS A 42 -3.095 -2.980 -5.496 1.00 32.33 C ATOM 600 NZ LYS A 42 -4.023 -2.876 -4.336 1.00 32.13 N ATOM 0 H LYS A 42 -1.195 -2.129 -8.104 1.00 24.20 H new ATOM 0 HA LYS A 42 -2.380 -0.547 -10.305 1.00 63.15 H new ATOM 0 HB2 LYS A 42 -4.051 0.262 -8.645 1.00 42.13 H new ATOM 0 HB3 LYS A 42 -4.220 -1.443 -9.015 1.00 42.13 H new ATOM 0 HG2 LYS A 42 -2.491 -0.780 -6.677 1.00 51.15 H new ATOM 0 HG3 LYS A 42 -4.200 -0.437 -6.493 1.00 51.15 H new ATOM 0 HD2 LYS A 42 -4.825 -2.688 -6.735 1.00 53.43 H new ATOM 0 HD3 LYS A 42 -3.373 -3.108 -7.622 1.00 53.43 H new ATOM 0 HE2 LYS A 42 -2.766 -4.013 -5.606 1.00 32.33 H new ATOM 0 HE3 LYS A 42 -2.205 -2.381 -5.304 1.00 32.33 H new ATOM 0 HZ1 LYS A 42 -3.490 -3.004 -3.452 1.00 32.13 H new ATOM 0 HZ2 LYS A 42 -4.475 -1.939 -4.336 1.00 32.13 H new ATOM 0 HZ3 LYS A 42 -4.754 -3.612 -4.409 1.00 32.13 H new ATOM 610 N VAL A 43 -1.587 1.649 -9.270 1.00 43.41 N ATOM 611 CA VAL A 43 -0.847 2.835 -8.853 1.00 63.53 C ATOM 612 C VAL A 43 -1.705 3.738 -7.976 1.00 1.12 C ATOM 613 O VAL A 43 -2.759 4.215 -8.399 1.00 4.22 O ATOM 614 CB VAL A 43 -0.349 3.641 -10.068 1.00 22.04 C ATOM 615 CG1 VAL A 43 0.520 4.805 -9.617 1.00 45.31 C ATOM 616 CG2 VAL A 43 0.409 2.739 -11.030 1.00 61.20 C ATOM 0 H VAL A 43 -2.265 1.815 -10.013 1.00 43.41 H new ATOM 0 HA VAL A 43 0.012 2.487 -8.280 1.00 63.53 H new ATOM 0 HB VAL A 43 -1.214 4.047 -10.592 1.00 22.04 H new ATOM 0 HG11 VAL A 43 0.862 5.363 -10.489 1.00 45.31 H new ATOM 0 HG12 VAL A 43 -0.060 5.463 -8.970 1.00 45.31 H new ATOM 0 HG13 VAL A 43 1.382 4.425 -9.068 1.00 45.31 H new ATOM 0 HG21 VAL A 43 0.754 3.324 -11.882 1.00 61.20 H new ATOM 0 HG22 VAL A 43 1.267 2.302 -10.519 1.00 61.20 H new ATOM 0 HG23 VAL A 43 -0.250 1.944 -11.379 1.00 61.20 H new ATOM 626 N LEU A 44 -1.247 3.971 -6.751 1.00 32.25 N ATOM 627 CA LEU A 44 -1.973 4.819 -5.811 1.00 51.20 C ATOM 628 C LEU A 44 -1.437 6.246 -5.840 1.00 75.02 C ATOM 629 O LEU A 44 -0.245 6.469 -6.051 1.00 41.14 O ATOM 630 CB LEU A 44 -1.867 4.251 -4.394 1.00 50.33 C ATOM 631 CG LEU A 44 -2.872 3.157 -4.033 1.00 2.33 C ATOM 632 CD1 LEU A 44 -2.674 2.704 -2.594 1.00 42.24 C ATOM 633 CD2 LEU A 44 -4.295 3.648 -4.248 1.00 21.25 C ATOM 0 H LEU A 44 -0.377 3.585 -6.385 1.00 32.25 H new ATOM 0 HA LEU A 44 -3.021 4.838 -6.111 1.00 51.20 H new ATOM 0 HB2 LEU A 44 -0.862 3.852 -4.258 1.00 50.33 H new ATOM 0 HB3 LEU A 44 -1.983 5.071 -3.686 1.00 50.33 H new ATOM 0 HG LEU A 44 -2.701 2.303 -4.688 1.00 2.33 H new ATOM 0 HD11 LEU A 44 -3.398 1.925 -2.355 1.00 42.24 H new ATOM 0 HD12 LEU A 44 -1.665 2.311 -2.472 1.00 42.24 H new ATOM 0 HD13 LEU A 44 -2.817 3.551 -1.923 1.00 42.24 H new ATOM 0 HD21 LEU A 44 -4.997 2.856 -3.986 1.00 21.25 H new ATOM 0 HD22 LEU A 44 -4.479 4.519 -3.618 1.00 21.25 H new ATOM 0 HD23 LEU A 44 -4.431 3.922 -5.294 1.00 21.25 H new ATOM 644 N SER A 45 -2.326 7.211 -5.625 1.00 71.12 N ATOM 645 CA SER A 45 -1.942 8.619 -5.628 1.00 4.03 C ATOM 646 C SER A 45 -2.329 9.290 -4.314 1.00 10.12 C ATOM 647 O SER A 45 -3.212 8.830 -3.588 1.00 74.23 O ATOM 648 CB SER A 45 -2.603 9.347 -6.800 1.00 4.43 C ATOM 649 OG SER A 45 -3.768 10.037 -6.380 1.00 72.31 O ATOM 0 H SER A 45 -3.316 7.044 -5.447 1.00 71.12 H new ATOM 0 HA SER A 45 -0.859 8.675 -5.739 1.00 4.03 H new ATOM 0 HB2 SER A 45 -1.897 10.052 -7.239 1.00 4.43 H new ATOM 0 HB3 SER A 45 -2.862 8.629 -7.578 1.00 4.43 H new ATOM 0 HG SER A 45 -4.171 10.495 -7.147 1.00 72.31 H new ATOM 772 N ALA A 56 -8.340 0.568 -2.592 1.00 13.14 N ATOM 773 CA ALA A 56 -8.318 1.353 -1.362 1.00 71.52 C ATOM 774 C ALA A 56 -8.173 2.840 -1.664 1.00 1.15 C ATOM 775 O ALA A 56 -8.026 3.238 -2.820 1.00 34.24 O ATOM 776 CB ALA A 56 -7.188 0.883 -0.458 1.00 1.44 C ATOM 0 HA ALA A 56 -9.267 1.205 -0.847 1.00 71.52 H new ATOM 0 HB1 ALA A 56 -7.182 1.477 0.456 1.00 1.44 H new ATOM 0 HB2 ALA A 56 -7.335 -0.168 -0.208 1.00 1.44 H new ATOM 0 HB3 ALA A 56 -6.235 1.003 -0.974 1.00 1.44 H new ATOM 782 N ARG A 57 -8.218 3.658 -0.617 1.00 53.42 N ATOM 783 CA ARG A 57 -8.094 5.103 -0.771 1.00 1.24 C ATOM 784 C ARG A 57 -6.812 5.611 -0.115 1.00 51.05 C ATOM 785 O ARG A 57 -6.222 4.935 0.728 1.00 65.22 O ATOM 786 CB ARG A 57 -9.305 5.807 -0.158 1.00 34.22 C ATOM 787 CG ARG A 57 -10.636 5.231 -0.609 1.00 64.42 C ATOM 788 CD ARG A 57 -10.841 5.404 -2.106 1.00 41.32 C ATOM 789 NE ARG A 57 -10.744 6.803 -2.514 1.00 54.24 N ATOM 790 CZ ARG A 57 -11.721 7.687 -2.345 1.00 13.11 C ATOM 791 NH1 ARG A 57 -12.862 7.320 -1.780 1.00 44.34 N ATOM 792 NH2 ARG A 57 -11.557 8.942 -2.742 1.00 33.33 N ATOM 0 H ARG A 57 -8.339 3.345 0.346 1.00 53.42 H new ATOM 0 HA ARG A 57 -8.051 5.328 -1.837 1.00 1.24 H new ATOM 0 HB2 ARG A 57 -9.240 5.743 0.928 1.00 34.22 H new ATOM 0 HB3 ARG A 57 -9.270 6.865 -0.418 1.00 34.22 H new ATOM 0 HG2 ARG A 57 -10.680 4.172 -0.355 1.00 64.42 H new ATOM 0 HG3 ARG A 57 -11.447 5.722 -0.071 1.00 64.42 H new ATOM 0 HD2 ARG A 57 -10.096 4.817 -2.644 1.00 41.32 H new ATOM 0 HD3 ARG A 57 -11.819 5.012 -2.386 1.00 41.32 H new ATOM 0 HE ARG A 57 -9.879 7.118 -2.953 1.00 54.24 H new ATOM 0 HH11 ARG A 57 -12.992 6.356 -1.473 1.00 44.34 H new ATOM 0 HH12 ARG A 57 -13.610 8.002 -1.652 1.00 44.34 H new ATOM 0 HH21 ARG A 57 -10.680 9.229 -3.177 1.00 33.33 H new ATOM 0 HH22 ARG A 57 -12.308 9.620 -2.612 1.00 33.33 H new ATOM 803 N VAL A 58 -6.386 6.806 -0.511 1.00 54.52 N ATOM 804 CA VAL A 58 -5.175 7.405 0.036 1.00 15.32 C ATOM 805 C VAL A 58 -5.506 8.591 0.937 1.00 44.22 C ATOM 806 O VAL A 58 -6.259 9.485 0.551 1.00 73.34 O ATOM 807 CB VAL A 58 -4.225 7.874 -1.081 1.00 61.24 C ATOM 808 CG1 VAL A 58 -3.113 8.740 -0.510 1.00 34.42 C ATOM 809 CG2 VAL A 58 -3.651 6.680 -1.828 1.00 40.55 C ATOM 0 H VAL A 58 -6.862 7.378 -1.209 1.00 54.52 H new ATOM 0 HA VAL A 58 -4.679 6.632 0.624 1.00 15.32 H new ATOM 0 HB VAL A 58 -4.795 8.477 -1.788 1.00 61.24 H new ATOM 0 HG11 VAL A 58 -2.452 9.061 -1.315 1.00 34.42 H new ATOM 0 HG12 VAL A 58 -3.546 9.615 -0.025 1.00 34.42 H new ATOM 0 HG13 VAL A 58 -2.543 8.165 0.220 1.00 34.42 H new ATOM 0 HG21 VAL A 58 -2.982 7.030 -2.614 1.00 40.55 H new ATOM 0 HG22 VAL A 58 -3.096 6.049 -1.134 1.00 40.55 H new ATOM 0 HG23 VAL A 58 -4.463 6.104 -2.272 1.00 40.55 H new ATOM 819 N LEU A 59 -4.940 8.591 2.138 1.00 2.23 N ATOM 820 CA LEU A 59 -5.174 9.667 3.096 1.00 64.23 C ATOM 821 C LEU A 59 -4.515 10.962 2.631 1.00 25.52 C ATOM 822 O LEU A 59 -3.578 10.958 1.833 1.00 63.23 O ATOM 823 CB LEU A 59 -4.641 9.275 4.474 1.00 50.40 C ATOM 824 CG LEU A 59 -5.513 8.315 5.284 1.00 74.03 C ATOM 825 CD1 LEU A 59 -4.774 7.838 6.523 1.00 14.42 C ATOM 826 CD2 LEU A 59 -6.826 8.983 5.668 1.00 75.31 C ATOM 0 H LEU A 59 -4.315 7.858 2.473 1.00 2.23 H new ATOM 0 HA LEU A 59 -6.249 9.832 3.164 1.00 64.23 H new ATOM 0 HB2 LEU A 59 -3.659 8.821 4.345 1.00 50.40 H new ATOM 0 HB3 LEU A 59 -4.498 10.184 5.058 1.00 50.40 H new ATOM 0 HG LEU A 59 -5.737 7.447 4.664 1.00 74.03 H new ATOM 0 HD11 LEU A 59 -5.411 7.156 7.086 1.00 14.42 H new ATOM 0 HD12 LEU A 59 -3.862 7.321 6.226 1.00 14.42 H new ATOM 0 HD13 LEU A 59 -4.519 8.695 7.147 1.00 14.42 H new ATOM 0 HD21 LEU A 59 -7.434 8.286 6.244 1.00 75.31 H new ATOM 0 HD22 LEU A 59 -6.621 9.869 6.270 1.00 75.31 H new ATOM 0 HD23 LEU A 59 -7.364 9.274 4.766 1.00 75.31 H new ATOM 837 N PRO A 60 -5.014 12.096 3.143 1.00 22.32 N ATOM 838 CA PRO A 60 -4.488 13.420 2.796 1.00 50.53 C ATOM 839 C PRO A 60 -3.095 13.658 3.371 1.00 3.10 C ATOM 840 O PRO A 60 -2.338 14.486 2.866 1.00 41.01 O ATOM 841 CB PRO A 60 -5.499 14.380 3.428 1.00 53.44 C ATOM 842 CG PRO A 60 -6.104 13.609 4.549 1.00 32.44 C ATOM 843 CD PRO A 60 -6.131 12.175 4.098 1.00 62.00 C ATOM 0 HA PRO A 60 -4.377 13.546 1.719 1.00 50.53 H new ATOM 0 HB2 PRO A 60 -5.012 15.286 3.788 1.00 53.44 H new ATOM 0 HB3 PRO A 60 -6.255 14.689 2.707 1.00 53.44 H new ATOM 0 HG2 PRO A 60 -5.517 13.720 5.461 1.00 32.44 H new ATOM 0 HG3 PRO A 60 -7.109 13.967 4.771 1.00 32.44 H new ATOM 0 HD2 PRO A 60 -5.994 11.488 4.934 1.00 62.00 H new ATOM 0 HD3 PRO A 60 -7.081 11.920 3.628 1.00 62.00 H new ATOM 848 N ASN A 61 -2.764 12.925 4.430 1.00 24.11 N ATOM 849 CA ASN A 61 -1.463 13.057 5.074 1.00 42.53 C ATOM 850 C ASN A 61 -0.408 12.231 4.344 1.00 72.21 C ATOM 851 O ASN A 61 0.754 12.193 4.745 1.00 5.11 O ATOM 852 CB ASN A 61 -1.547 12.618 6.537 1.00 13.05 C ATOM 853 CG ASN A 61 -2.372 11.359 6.716 1.00 12.31 C ATOM 854 OD1 ASN A 61 -3.602 11.400 6.691 1.00 62.43 O ATOM 855 ND2 ASN A 61 -1.697 10.230 6.900 1.00 74.42 N ATOM 0 H ASN A 61 -3.379 12.234 4.860 1.00 24.11 H new ATOM 0 HA ASN A 61 -1.171 14.106 5.033 1.00 42.53 H new ATOM 0 HB2 ASN A 61 -0.541 12.448 6.921 1.00 13.05 H new ATOM 0 HB3 ASN A 61 -1.983 13.422 7.130 1.00 13.05 H new ATOM 0 HD21 ASN A 61 -2.198 9.351 7.028 1.00 74.42 H new ATOM 0 HD22 ASN A 61 -0.677 10.242 6.914 1.00 74.42 H new ATOM 861 N GLY A 62 -0.823 11.569 3.266 1.00 12.22 N ATOM 862 CA GLY A 62 0.096 10.754 2.497 1.00 44.43 C ATOM 863 C GLY A 62 0.129 9.314 2.970 1.00 62.21 C ATOM 864 O GLY A 62 1.153 8.638 2.858 1.00 72.31 O ATOM 0 H GLY A 62 -1.780 11.584 2.913 1.00 12.22 H new ATOM 0 HA2 GLY A 62 -0.191 10.781 1.446 1.00 44.43 H new ATOM 0 HA3 GLY A 62 1.098 11.179 2.565 1.00 44.43 H new ATOM 868 N SER A 63 -0.993 8.842 3.502 1.00 20.44 N ATOM 869 CA SER A 63 -1.089 7.475 4.000 1.00 71.13 C ATOM 870 C SER A 63 -2.040 6.649 3.139 1.00 61.35 C ATOM 871 O SER A 63 -2.602 7.145 2.162 1.00 11.02 O ATOM 872 CB SER A 63 -1.564 7.470 5.454 1.00 20.22 C ATOM 873 OG SER A 63 -0.513 7.821 6.336 1.00 41.43 O ATOM 0 H SER A 63 -1.850 9.387 3.600 1.00 20.44 H new ATOM 0 HA SER A 63 -0.097 7.026 3.949 1.00 71.13 H new ATOM 0 HB2 SER A 63 -2.391 8.170 5.572 1.00 20.22 H new ATOM 0 HB3 SER A 63 -1.944 6.482 5.712 1.00 20.22 H new ATOM 0 HG SER A 63 -0.843 7.812 7.259 1.00 41.43 H new ATOM 878 N LEU A 64 -2.215 5.384 3.508 1.00 11.02 N ATOM 879 CA LEU A 64 -3.098 4.486 2.771 1.00 33.11 C ATOM 880 C LEU A 64 -4.077 3.791 3.713 1.00 73.13 C ATOM 881 O LEU A 64 -3.680 3.240 4.739 1.00 21.13 O ATOM 882 CB LEU A 64 -2.277 3.445 2.009 1.00 52.11 C ATOM 883 CG LEU A 64 -3.069 2.302 1.374 1.00 71.53 C ATOM 884 CD1 LEU A 64 -4.182 2.849 0.493 1.00 24.41 C ATOM 885 CD2 LEU A 64 -2.146 1.397 0.567 1.00 33.45 C ATOM 0 H LEU A 64 -1.757 4.957 4.313 1.00 11.02 H new ATOM 0 HA LEU A 64 -3.670 5.081 2.058 1.00 33.11 H new ATOM 0 HB2 LEU A 64 -1.720 3.955 1.223 1.00 52.11 H new ATOM 0 HB3 LEU A 64 -1.544 3.017 2.693 1.00 52.11 H new ATOM 0 HG LEU A 64 -3.520 1.711 2.171 1.00 71.53 H new ATOM 0 HD11 LEU A 64 -4.735 2.021 0.049 1.00 24.41 H new ATOM 0 HD12 LEU A 64 -4.858 3.456 1.096 1.00 24.41 H new ATOM 0 HD13 LEU A 64 -3.751 3.463 -0.298 1.00 24.41 H new ATOM 0 HD21 LEU A 64 -2.727 0.589 0.122 1.00 33.45 H new ATOM 0 HD22 LEU A 64 -1.667 1.977 -0.222 1.00 33.45 H new ATOM 0 HD23 LEU A 64 -1.383 0.977 1.223 1.00 33.45 H new ATOM 896 N PHE A 65 -5.355 3.820 3.354 1.00 43.02 N ATOM 897 CA PHE A 65 -6.391 3.190 4.165 1.00 21.14 C ATOM 898 C PHE A 65 -7.183 2.176 3.345 1.00 10.52 C ATOM 899 O PHE A 65 -7.642 2.475 2.242 1.00 24.14 O ATOM 900 CB PHE A 65 -7.335 4.251 4.735 1.00 5.22 C ATOM 901 CG PHE A 65 -8.333 3.700 5.714 1.00 23.13 C ATOM 902 CD1 PHE A 65 -9.521 3.139 5.271 1.00 13.31 C ATOM 903 CD2 PHE A 65 -8.084 3.743 7.076 1.00 54.31 C ATOM 904 CE1 PHE A 65 -10.441 2.633 6.170 1.00 55.23 C ATOM 905 CE2 PHE A 65 -8.999 3.238 7.979 1.00 30.44 C ATOM 906 CZ PHE A 65 -10.180 2.681 7.525 1.00 10.30 C ATOM 0 H PHE A 65 -5.699 4.273 2.507 1.00 43.02 H new ATOM 0 HA PHE A 65 -5.905 2.665 4.987 1.00 21.14 H new ATOM 0 HB2 PHE A 65 -6.745 5.025 5.226 1.00 5.22 H new ATOM 0 HB3 PHE A 65 -7.869 4.730 3.914 1.00 5.22 H new ATOM 0 HD1 PHE A 65 -9.730 3.097 4.212 1.00 13.31 H new ATOM 0 HD2 PHE A 65 -7.163 4.177 7.436 1.00 54.31 H new ATOM 0 HE1 PHE A 65 -11.364 2.200 5.813 1.00 55.23 H new ATOM 0 HE2 PHE A 65 -8.792 3.278 9.038 1.00 30.44 H new ATOM 0 HZ PHE A 65 -10.897 2.284 8.229 1.00 10.30 H new ATOM 915 N LEU A 66 -7.337 0.975 3.892 1.00 23.02 N ATOM 916 CA LEU A 66 -8.074 -0.085 3.211 1.00 50.30 C ATOM 917 C LEU A 66 -9.312 -0.486 4.007 1.00 34.53 C ATOM 918 O LEU A 66 -9.235 -0.853 5.180 1.00 2.23 O ATOM 919 CB LEU A 66 -7.173 -1.303 3.001 1.00 1.22 C ATOM 920 CG LEU A 66 -5.924 -1.078 2.149 1.00 34.43 C ATOM 921 CD1 LEU A 66 -4.751 -0.661 3.022 1.00 52.12 C ATOM 922 CD2 LEU A 66 -5.584 -2.331 1.357 1.00 73.35 C ATOM 0 H LEU A 66 -6.962 0.711 4.803 1.00 23.02 H new ATOM 0 HA LEU A 66 -8.396 0.294 2.241 1.00 50.30 H new ATOM 0 HB2 LEU A 66 -6.860 -1.670 3.978 1.00 1.22 H new ATOM 0 HB3 LEU A 66 -7.766 -2.092 2.539 1.00 1.22 H new ATOM 0 HG LEU A 66 -6.130 -0.273 1.443 1.00 34.43 H new ATOM 0 HD11 LEU A 66 -3.871 -0.505 2.398 1.00 52.12 H new ATOM 0 HD12 LEU A 66 -4.996 0.265 3.542 1.00 52.12 H new ATOM 0 HD13 LEU A 66 -4.545 -1.444 3.752 1.00 52.12 H new ATOM 0 HD21 LEU A 66 -4.692 -2.151 0.757 1.00 73.35 H new ATOM 0 HD22 LEU A 66 -5.399 -3.157 2.044 1.00 73.35 H new ATOM 0 HD23 LEU A 66 -6.417 -2.585 0.702 1.00 73.35 H new ATOM 933 N PRO A 67 -10.483 -0.414 3.356 1.00 11.52 N ATOM 934 CA PRO A 67 -11.760 -0.767 3.983 1.00 23.13 C ATOM 935 C PRO A 67 -11.883 -2.265 4.243 1.00 22.04 C ATOM 936 O PRO A 67 -12.507 -2.687 5.217 1.00 21.14 O ATOM 937 CB PRO A 67 -12.797 -0.315 2.953 1.00 4.32 C ATOM 938 CG PRO A 67 -12.076 -0.346 1.651 1.00 62.02 C ATOM 939 CD PRO A 67 -10.649 0.016 1.958 1.00 24.22 C ATOM 0 HA PRO A 67 -11.878 -0.299 4.960 1.00 23.13 H new ATOM 0 HB2 PRO A 67 -13.661 -0.980 2.943 1.00 4.32 H new ATOM 0 HB3 PRO A 67 -13.167 0.685 3.177 1.00 4.32 H new ATOM 0 HG2 PRO A 67 -12.138 -1.334 1.194 1.00 62.02 H new ATOM 0 HG3 PRO A 67 -12.514 0.360 0.945 1.00 62.02 H new ATOM 0 HD2 PRO A 67 -9.952 -0.496 1.294 1.00 24.22 H new ATOM 0 HD3 PRO A 67 -10.472 1.085 1.842 1.00 24.22 H new ATOM 944 N ALA A 68 -11.285 -3.065 3.367 1.00 20.00 N ATOM 945 CA ALA A 68 -11.326 -4.515 3.502 1.00 12.32 C ATOM 946 C ALA A 68 -10.379 -5.186 2.515 1.00 62.54 C ATOM 947 O ALA A 68 -10.689 -5.312 1.330 1.00 31.31 O ATOM 948 CB ALA A 68 -12.746 -5.023 3.304 1.00 34.04 C ATOM 0 H ALA A 68 -10.765 -2.732 2.555 1.00 20.00 H new ATOM 0 HA ALA A 68 -10.998 -4.771 4.509 1.00 12.32 H new ATOM 0 HB1 ALA A 68 -12.762 -6.108 3.408 1.00 34.04 H new ATOM 0 HB2 ALA A 68 -13.400 -4.577 4.054 1.00 34.04 H new ATOM 0 HB3 ALA A 68 -13.095 -4.748 2.309 1.00 34.04 H new ATOM 954 N VAL A 69 -9.222 -5.617 3.009 1.00 22.41 N ATOM 955 CA VAL A 69 -8.229 -6.275 2.168 1.00 12.30 C ATOM 956 C VAL A 69 -8.675 -7.685 1.794 1.00 74.43 C ATOM 957 O VAL A 69 -8.752 -8.570 2.645 1.00 13.14 O ATOM 958 CB VAL A 69 -6.861 -6.351 2.871 1.00 42.14 C ATOM 959 CG1 VAL A 69 -6.226 -4.972 2.953 1.00 31.15 C ATOM 960 CG2 VAL A 69 -7.006 -6.964 4.256 1.00 23.43 C ATOM 0 H VAL A 69 -8.950 -5.522 3.987 1.00 22.41 H new ATOM 0 HA VAL A 69 -8.131 -5.675 1.263 1.00 12.30 H new ATOM 0 HB VAL A 69 -6.205 -6.992 2.283 1.00 42.14 H new ATOM 0 HG11 VAL A 69 -5.260 -5.045 3.453 1.00 31.15 H new ATOM 0 HG12 VAL A 69 -6.085 -4.576 1.947 1.00 31.15 H new ATOM 0 HG13 VAL A 69 -6.877 -4.305 3.518 1.00 31.15 H new ATOM 0 HG21 VAL A 69 -6.029 -7.010 4.738 1.00 23.43 H new ATOM 0 HG22 VAL A 69 -7.678 -6.351 4.856 1.00 23.43 H new ATOM 0 HG23 VAL A 69 -7.414 -7.971 4.167 1.00 23.43 H new ATOM 970 N GLY A 70 -8.967 -7.887 0.512 1.00 23.15 N ATOM 971 CA GLY A 70 -9.401 -9.190 0.047 1.00 45.24 C ATOM 972 C GLY A 70 -8.238 -10.096 -0.307 1.00 3.05 C ATOM 973 O GLY A 70 -7.107 -9.635 -0.457 1.00 73.32 O ATOM 0 H GLY A 70 -8.910 -7.171 -0.212 1.00 23.15 H new ATOM 0 HA2 GLY A 70 -10.006 -9.665 0.819 1.00 45.24 H new ATOM 0 HA3 GLY A 70 -10.040 -9.066 -0.827 1.00 45.24 H new ATOM 977 N ILE A 71 -8.516 -11.389 -0.437 1.00 25.33 N ATOM 978 CA ILE A 71 -7.484 -12.362 -0.774 1.00 72.40 C ATOM 979 C ILE A 71 -6.739 -11.955 -2.040 1.00 64.12 C ATOM 980 O ILE A 71 -5.543 -12.212 -2.177 1.00 1.51 O ATOM 981 CB ILE A 71 -8.078 -13.769 -0.970 1.00 60.10 C ATOM 982 CG1 ILE A 71 -7.054 -14.837 -0.583 1.00 65.55 C ATOM 983 CG2 ILE A 71 -8.530 -13.957 -2.411 1.00 32.22 C ATOM 984 CD1 ILE A 71 -6.976 -15.983 -1.568 1.00 52.14 C ATOM 0 H ILE A 71 -9.447 -11.787 -0.314 1.00 25.33 H new ATOM 0 HA ILE A 71 -6.787 -12.386 0.064 1.00 72.40 H new ATOM 0 HB ILE A 71 -8.947 -13.874 -0.321 1.00 60.10 H new ATOM 0 HG12 ILE A 71 -6.071 -14.373 -0.499 1.00 65.55 H new ATOM 0 HG13 ILE A 71 -7.306 -15.231 0.402 1.00 65.55 H new ATOM 0 HG21 ILE A 71 -8.948 -14.956 -2.534 1.00 32.22 H new ATOM 0 HG22 ILE A 71 -9.290 -13.214 -2.654 1.00 32.22 H new ATOM 0 HG23 ILE A 71 -7.677 -13.836 -3.079 1.00 32.22 H new ATOM 0 HD11 ILE A 71 -6.230 -16.703 -1.231 1.00 52.14 H new ATOM 0 HD12 ILE A 71 -7.948 -16.472 -1.635 1.00 52.14 H new ATOM 0 HD13 ILE A 71 -6.694 -15.601 -2.549 1.00 52.14 H new ATOM 995 N GLN A 72 -7.453 -11.319 -2.963 1.00 62.30 N ATOM 996 CA GLN A 72 -6.858 -10.876 -4.219 1.00 1.53 C ATOM 997 C GLN A 72 -6.038 -9.607 -4.013 1.00 35.43 C ATOM 998 O GLN A 72 -5.150 -9.295 -4.808 1.00 2.03 O ATOM 999 CB GLN A 72 -7.947 -10.630 -5.265 1.00 2.31 C ATOM 1000 CG GLN A 72 -8.367 -11.886 -6.011 1.00 51.44 C ATOM 1001 CD GLN A 72 -7.611 -12.071 -7.312 1.00 42.31 C ATOM 1002 OE1 GLN A 72 -6.733 -12.928 -7.416 1.00 35.31 O ATOM 1003 NE2 GLN A 72 -7.951 -11.267 -8.314 1.00 4.31 N ATOM 0 H GLN A 72 -8.444 -11.099 -2.865 1.00 62.30 H new ATOM 0 HA GLN A 72 -6.194 -11.663 -4.576 1.00 1.53 H new ATOM 0 HB2 GLN A 72 -8.820 -10.199 -4.774 1.00 2.31 H new ATOM 0 HB3 GLN A 72 -7.589 -9.893 -5.984 1.00 2.31 H new ATOM 0 HG2 GLN A 72 -8.204 -12.755 -5.373 1.00 51.44 H new ATOM 0 HG3 GLN A 72 -9.436 -11.840 -6.219 1.00 51.44 H new ATOM 0 HE21 GLN A 72 -8.685 -10.571 -8.183 1.00 4.31 H new ATOM 0 HE22 GLN A 72 -7.478 -11.346 -9.214 1.00 4.31 H new ATOM 1010 N ASP A 73 -6.340 -8.879 -2.944 1.00 44.35 N ATOM 1011 CA ASP A 73 -5.629 -7.644 -2.635 1.00 20.12 C ATOM 1012 C ASP A 73 -4.244 -7.940 -2.070 1.00 41.14 C ATOM 1013 O ASP A 73 -3.452 -7.029 -1.833 1.00 62.24 O ATOM 1014 CB ASP A 73 -6.431 -6.806 -1.637 1.00 20.52 C ATOM 1015 CG ASP A 73 -7.281 -5.751 -2.318 1.00 11.31 C ATOM 1016 OD1 ASP A 73 -7.946 -6.082 -3.321 1.00 44.34 O ATOM 1017 OD2 ASP A 73 -7.279 -4.594 -1.849 1.00 33.33 O ATOM 0 H ASP A 73 -7.072 -9.123 -2.277 1.00 44.35 H new ATOM 0 HA ASP A 73 -5.511 -7.081 -3.561 1.00 20.12 H new ATOM 0 HB2 ASP A 73 -7.073 -7.462 -1.050 1.00 20.52 H new ATOM 0 HB3 ASP A 73 -5.746 -6.323 -0.940 1.00 20.52 H new ATOM 1021 N GLU A 74 -3.958 -9.221 -1.856 1.00 24.43 N ATOM 1022 CA GLU A 74 -2.669 -9.637 -1.317 1.00 22.54 C ATOM 1023 C GLU A 74 -1.529 -9.183 -2.225 1.00 30.20 C ATOM 1024 O GLU A 74 -1.650 -9.201 -3.450 1.00 32.15 O ATOM 1025 CB GLU A 74 -2.628 -11.156 -1.150 1.00 45.43 C ATOM 1026 CG GLU A 74 -2.050 -11.607 0.182 1.00 1.10 C ATOM 1027 CD GLU A 74 -0.666 -12.212 0.043 1.00 25.20 C ATOM 1028 OE1 GLU A 74 -0.575 -13.431 -0.212 1.00 12.22 O ATOM 1029 OE2 GLU A 74 0.324 -11.466 0.190 1.00 51.44 O ATOM 0 H GLU A 74 -4.602 -9.988 -2.048 1.00 24.43 H new ATOM 0 HA GLU A 74 -2.543 -9.168 -0.341 1.00 22.54 H new ATOM 0 HB2 GLU A 74 -3.639 -11.551 -1.250 1.00 45.43 H new ATOM 0 HB3 GLU A 74 -2.036 -11.586 -1.958 1.00 45.43 H new ATOM 0 HG2 GLU A 74 -2.004 -10.755 0.861 1.00 1.10 H new ATOM 0 HG3 GLU A 74 -2.719 -12.339 0.635 1.00 1.10 H new ATOM 1034 N GLY A 75 -0.421 -8.775 -1.614 1.00 14.33 N ATOM 1035 CA GLY A 75 0.725 -8.321 -2.380 1.00 31.31 C ATOM 1036 C GLY A 75 1.689 -7.497 -1.550 1.00 22.11 C ATOM 1037 O GLY A 75 1.834 -7.724 -0.349 1.00 3.44 O ATOM 0 H GLY A 75 -0.297 -8.751 -0.602 1.00 14.33 H new ATOM 0 HA2 GLY A 75 1.249 -9.184 -2.789 1.00 31.31 H new ATOM 0 HA3 GLY A 75 0.380 -7.727 -3.226 1.00 31.31 H new ATOM 1041 N ILE A 76 2.351 -6.538 -2.190 1.00 45.21 N ATOM 1042 CA ILE A 76 3.305 -5.679 -1.502 1.00 51.35 C ATOM 1043 C ILE A 76 3.028 -4.208 -1.790 1.00 43.13 C ATOM 1044 O ILE A 76 2.780 -3.824 -2.934 1.00 33.10 O ATOM 1045 CB ILE A 76 4.753 -6.007 -1.912 1.00 14.51 C ATOM 1046 CG1 ILE A 76 4.862 -7.464 -2.366 1.00 22.50 C ATOM 1047 CG2 ILE A 76 5.705 -5.735 -0.756 1.00 43.21 C ATOM 1048 CD1 ILE A 76 4.611 -8.462 -1.257 1.00 65.24 C ATOM 0 H ILE A 76 2.243 -6.337 -3.184 1.00 45.21 H new ATOM 0 HA ILE A 76 3.186 -5.866 -0.435 1.00 51.35 H new ATOM 0 HB ILE A 76 5.032 -5.365 -2.747 1.00 14.51 H new ATOM 0 HG12 ILE A 76 4.148 -7.640 -3.171 1.00 22.50 H new ATOM 0 HG13 ILE A 76 5.856 -7.634 -2.779 1.00 22.50 H new ATOM 0 HG21 ILE A 76 6.724 -5.971 -1.061 1.00 43.21 H new ATOM 0 HG22 ILE A 76 5.645 -4.684 -0.475 1.00 43.21 H new ATOM 0 HG23 ILE A 76 5.428 -6.355 0.097 1.00 43.21 H new ATOM 0 HD11 ILE A 76 4.705 -9.474 -1.650 1.00 65.24 H new ATOM 0 HD12 ILE A 76 5.341 -8.313 -0.461 1.00 65.24 H new ATOM 0 HD13 ILE A 76 3.606 -8.319 -0.859 1.00 65.24 H new ATOM 1059 N PHE A 77 3.072 -3.388 -0.746 1.00 14.11 N ATOM 1060 CA PHE A 77 2.826 -1.957 -0.887 1.00 50.34 C ATOM 1061 C PHE A 77 4.133 -1.170 -0.812 1.00 64.31 C ATOM 1062 O PHE A 77 4.880 -1.281 0.159 1.00 54.21 O ATOM 1063 CB PHE A 77 1.865 -1.474 0.202 1.00 74.24 C ATOM 1064 CG PHE A 77 0.481 -2.044 0.074 1.00 24.44 C ATOM 1065 CD1 PHE A 77 0.219 -3.352 0.449 1.00 42.22 C ATOM 1066 CD2 PHE A 77 -0.557 -1.272 -0.420 1.00 71.22 C ATOM 1067 CE1 PHE A 77 -1.053 -3.878 0.332 1.00 64.12 C ATOM 1068 CE2 PHE A 77 -1.833 -1.792 -0.538 1.00 42.05 C ATOM 1069 CZ PHE A 77 -2.080 -3.097 -0.162 1.00 23.11 C ATOM 0 H PHE A 77 3.276 -3.689 0.207 1.00 14.11 H new ATOM 0 HA PHE A 77 2.374 -1.786 -1.864 1.00 50.34 H new ATOM 0 HB2 PHE A 77 2.271 -1.741 1.178 1.00 74.24 H new ATOM 0 HB3 PHE A 77 1.806 -0.386 0.168 1.00 74.24 H new ATOM 0 HD1 PHE A 77 1.018 -3.967 0.837 1.00 42.22 H new ATOM 0 HD2 PHE A 77 -0.368 -0.251 -0.717 1.00 71.22 H new ATOM 0 HE1 PHE A 77 -1.245 -4.899 0.627 1.00 64.12 H new ATOM 0 HE2 PHE A 77 -2.634 -1.179 -0.923 1.00 42.05 H new ATOM 0 HZ PHE A 77 -3.075 -3.507 -0.254 1.00 23.11 H new ATOM 1078 N ARG A 78 4.399 -0.379 -1.845 1.00 73.53 N ATOM 1079 CA ARG A 78 5.615 0.424 -1.900 1.00 23.32 C ATOM 1080 C ARG A 78 5.282 1.903 -2.069 1.00 70.01 C ATOM 1081 O ARG A 78 4.546 2.285 -2.979 1.00 10.13 O ATOM 1082 CB ARG A 78 6.509 -0.043 -3.050 1.00 14.33 C ATOM 1083 CG ARG A 78 7.906 -0.449 -2.607 1.00 1.20 C ATOM 1084 CD ARG A 78 8.870 0.727 -2.657 1.00 5.13 C ATOM 1085 NE ARG A 78 9.079 1.206 -4.020 1.00 33.14 N ATOM 1086 CZ ARG A 78 8.479 2.283 -4.520 1.00 43.45 C ATOM 1087 NH1 ARG A 78 7.639 2.985 -3.774 1.00 52.11 N ATOM 1088 NH2 ARG A 78 8.722 2.655 -5.771 1.00 12.14 N ATOM 0 H ARG A 78 3.789 -0.276 -2.656 1.00 73.53 H new ATOM 0 HA ARG A 78 6.149 0.294 -0.959 1.00 23.32 H new ATOM 0 HB2 ARG A 78 6.034 -0.888 -3.548 1.00 14.33 H new ATOM 0 HB3 ARG A 78 6.588 0.757 -3.786 1.00 14.33 H new ATOM 0 HG2 ARG A 78 7.866 -0.846 -1.592 1.00 1.20 H new ATOM 0 HG3 ARG A 78 8.274 -1.250 -3.248 1.00 1.20 H new ATOM 0 HD2 ARG A 78 8.482 1.540 -2.043 1.00 5.13 H new ATOM 0 HD3 ARG A 78 9.826 0.430 -2.226 1.00 5.13 H new ATOM 0 HE ARG A 78 9.719 0.687 -4.621 1.00 33.14 H new ATOM 0 HH11 ARG A 78 7.450 2.700 -2.813 1.00 52.11 H new ATOM 0 HH12 ARG A 78 7.181 3.810 -4.161 1.00 52.11 H new ATOM 0 HH21 ARG A 78 9.368 2.115 -6.347 1.00 12.14 H new ATOM 0 HH22 ARG A 78 8.263 3.480 -6.156 1.00 12.14 H new ATOM 1099 N CYS A 79 5.828 2.732 -1.186 1.00 14.14 N ATOM 1100 CA CYS A 79 5.590 4.170 -1.236 1.00 23.43 C ATOM 1101 C CYS A 79 6.901 4.934 -1.379 1.00 74.00 C ATOM 1102 O CYS A 79 7.960 4.452 -0.976 1.00 31.34 O ATOM 1103 CB CYS A 79 4.854 4.630 0.026 1.00 52.03 C ATOM 1104 SG CYS A 79 4.214 6.332 -0.067 1.00 13.11 S ATOM 0 H CYS A 79 6.439 2.432 -0.426 1.00 14.14 H new ATOM 0 HA CYS A 79 4.971 4.380 -2.108 1.00 23.43 H new ATOM 0 HB2 CYS A 79 4.023 3.951 0.217 1.00 52.03 H new ATOM 0 HB3 CYS A 79 5.531 4.554 0.877 1.00 52.03 H new ATOM 1108 N GLN A 80 6.824 6.129 -1.957 1.00 23.12 N ATOM 1109 CA GLN A 80 8.005 6.960 -2.155 1.00 44.02 C ATOM 1110 C GLN A 80 7.686 8.430 -1.900 1.00 64.11 C ATOM 1111 O GLN A 80 6.622 8.918 -2.278 1.00 1.44 O ATOM 1112 CB GLN A 80 8.548 6.783 -3.575 1.00 24.03 C ATOM 1113 CG GLN A 80 7.534 7.110 -4.659 1.00 14.43 C ATOM 1114 CD GLN A 80 8.163 7.212 -6.034 1.00 63.22 C ATOM 1115 OE1 GLN A 80 7.891 6.398 -6.915 1.00 64.13 O ATOM 1116 NE2 GLN A 80 9.010 8.218 -6.225 1.00 45.22 N ATOM 0 H GLN A 80 5.956 6.543 -2.296 1.00 23.12 H new ATOM 0 HA GLN A 80 8.765 6.642 -1.441 1.00 44.02 H new ATOM 0 HB2 GLN A 80 9.423 7.421 -3.703 1.00 24.03 H new ATOM 0 HB3 GLN A 80 8.883 5.754 -3.701 1.00 24.03 H new ATOM 0 HG2 GLN A 80 6.762 6.341 -4.673 1.00 14.43 H new ATOM 0 HG3 GLN A 80 7.041 8.052 -4.418 1.00 14.43 H new ATOM 0 HE21 GLN A 80 9.207 8.870 -5.466 1.00 45.22 H new ATOM 0 HE22 GLN A 80 9.463 8.338 -7.131 1.00 45.22 H new ATOM 1123 N ALA A 81 8.615 9.130 -1.256 1.00 45.03 N ATOM 1124 CA ALA A 81 8.434 10.543 -0.953 1.00 5.51 C ATOM 1125 C ALA A 81 9.664 11.353 -1.350 1.00 1.24 C ATOM 1126 O ALA A 81 10.745 10.799 -1.550 1.00 23.34 O ATOM 1127 CB ALA A 81 8.130 10.730 0.526 1.00 53.13 C ATOM 0 H ALA A 81 9.501 8.740 -0.934 1.00 45.03 H new ATOM 0 HA ALA A 81 7.589 10.909 -1.536 1.00 5.51 H new ATOM 0 HB1 ALA A 81 7.997 11.791 0.739 1.00 53.13 H new ATOM 0 HB2 ALA A 81 7.217 10.192 0.781 1.00 53.13 H new ATOM 0 HB3 ALA A 81 8.958 10.342 1.120 1.00 53.13 H new ATOM 1133 N MET A 82 9.493 12.665 -1.463 1.00 21.54 N ATOM 1134 CA MET A 82 10.590 13.550 -1.834 1.00 3.31 C ATOM 1135 C MET A 82 10.690 14.727 -0.868 1.00 53.32 C ATOM 1136 O MET A 82 9.720 15.453 -0.656 1.00 41.52 O ATOM 1137 CB MET A 82 10.397 14.063 -3.263 1.00 44.02 C ATOM 1138 CG MET A 82 10.650 13.007 -4.328 1.00 23.15 C ATOM 1139 SD MET A 82 12.370 12.466 -4.374 1.00 3.02 S ATOM 1140 CE MET A 82 13.214 14.036 -4.546 1.00 71.11 C ATOM 0 H MET A 82 8.604 13.139 -1.303 1.00 21.54 H new ATOM 0 HA MET A 82 11.518 12.980 -1.781 1.00 3.31 H new ATOM 0 HB2 MET A 82 9.380 14.439 -3.371 1.00 44.02 H new ATOM 0 HB3 MET A 82 11.068 14.905 -3.432 1.00 44.02 H new ATOM 0 HG2 MET A 82 10.007 12.147 -4.141 1.00 23.15 H new ATOM 0 HG3 MET A 82 10.372 13.406 -5.303 1.00 23.15 H new ATOM 0 HE1 MET A 82 14.190 13.876 -5.004 1.00 71.11 H new ATOM 0 HE2 MET A 82 12.622 14.700 -5.176 1.00 71.11 H new ATOM 0 HE3 MET A 82 13.344 14.489 -3.563 1.00 71.11 H new ATOM 1148 N ASN A 83 11.872 14.909 -0.287 1.00 2.22 N ATOM 1149 CA ASN A 83 12.098 15.997 0.657 1.00 11.23 C ATOM 1150 C ASN A 83 12.542 17.262 -0.069 1.00 31.54 C ATOM 1151 O ASN A 83 12.828 17.236 -1.265 1.00 22.12 O ATOM 1152 CB ASN A 83 13.153 15.592 1.691 1.00 64.42 C ATOM 1153 CG ASN A 83 12.569 14.760 2.816 1.00 4.33 C ATOM 1154 OD1 ASN A 83 12.601 15.160 3.980 1.00 31.12 O ATOM 1155 ND2 ASN A 83 12.034 13.593 2.475 1.00 61.31 N ATOM 0 H ASN A 83 12.686 14.318 -0.453 1.00 2.22 H new ATOM 0 HA ASN A 83 11.158 16.203 1.168 1.00 11.23 H new ATOM 0 HB2 ASN A 83 13.944 15.027 1.197 1.00 64.42 H new ATOM 0 HB3 ASN A 83 13.614 16.488 2.107 1.00 64.42 H new ATOM 0 HD21 ASN A 83 11.628 12.989 3.190 1.00 61.31 H new ATOM 0 HD22 ASN A 83 12.029 13.300 1.498 1.00 61.31 H new ATOM 1161 N ARG A 84 12.595 18.370 0.664 1.00 3.41 N ATOM 1162 CA ARG A 84 13.003 19.647 0.092 1.00 64.03 C ATOM 1163 C ARG A 84 14.505 19.668 -0.176 1.00 21.34 C ATOM 1164 O ARG A 84 14.988 20.444 -1.000 1.00 14.22 O ATOM 1165 CB ARG A 84 12.624 20.795 1.027 1.00 21.44 C ATOM 1166 CG ARG A 84 13.324 20.739 2.376 1.00 64.04 C ATOM 1167 CD ARG A 84 12.958 21.932 3.245 1.00 23.53 C ATOM 1168 NE ARG A 84 13.476 21.799 4.604 1.00 60.42 N ATOM 1169 CZ ARG A 84 12.935 21.008 5.523 1.00 62.34 C ATOM 1170 NH1 ARG A 84 11.865 20.281 5.229 1.00 12.33 N ATOM 1171 NH2 ARG A 84 13.464 20.941 6.737 1.00 43.05 N ATOM 0 H ARG A 84 12.360 18.408 1.656 1.00 3.41 H new ATOM 0 HA ARG A 84 12.481 19.774 -0.856 1.00 64.03 H new ATOM 0 HB2 ARG A 84 12.863 21.741 0.542 1.00 21.44 H new ATOM 0 HB3 ARG A 84 11.546 20.782 1.186 1.00 21.44 H new ATOM 0 HG2 ARG A 84 13.053 19.817 2.890 1.00 64.04 H new ATOM 0 HG3 ARG A 84 14.403 20.715 2.226 1.00 64.04 H new ATOM 0 HD2 ARG A 84 13.352 22.843 2.794 1.00 23.53 H new ATOM 0 HD3 ARG A 84 11.874 22.036 3.279 1.00 23.53 H new ATOM 0 HE ARG A 84 14.299 22.344 4.861 1.00 60.42 H new ATOM 0 HH11 ARG A 84 11.457 20.329 4.296 1.00 12.33 H new ATOM 0 HH12 ARG A 84 11.451 19.674 5.936 1.00 12.33 H new ATOM 0 HH21 ARG A 84 14.288 21.498 6.966 1.00 43.05 H new ATOM 0 HH22 ARG A 84 13.047 20.333 7.442 1.00 43.05 H new ATOM 1182 N ASN A 85 15.239 18.813 0.529 1.00 62.43 N ATOM 1183 CA ASN A 85 16.686 18.734 0.369 1.00 11.11 C ATOM 1184 C ASN A 85 17.052 18.054 -0.946 1.00 45.54 C ATOM 1185 O ASN A 85 18.164 18.209 -1.450 1.00 54.34 O ATOM 1186 CB ASN A 85 17.309 17.972 1.541 1.00 64.53 C ATOM 1187 CG ASN A 85 18.726 18.425 1.837 1.00 14.00 C ATOM 1188 OD1 ASN A 85 19.629 18.250 1.020 1.00 51.03 O ATOM 1189 ND2 ASN A 85 18.925 19.013 3.012 1.00 71.34 N ATOM 0 H ASN A 85 14.855 18.165 1.217 1.00 62.43 H new ATOM 0 HA ASN A 85 17.080 19.750 0.354 1.00 11.11 H new ATOM 0 HB2 ASN A 85 16.693 18.111 2.430 1.00 64.53 H new ATOM 0 HB3 ASN A 85 17.311 16.905 1.318 1.00 64.53 H new ATOM 0 HD21 ASN A 85 19.857 19.340 3.267 1.00 71.34 H new ATOM 0 HD22 ASN A 85 18.146 19.137 3.659 1.00 71.34 H new ATOM 1195 N GLY A 86 16.107 17.296 -1.498 1.00 75.11 N ATOM 1196 CA GLY A 86 16.350 16.604 -2.749 1.00 63.14 C ATOM 1197 C GLY A 86 16.482 15.105 -2.567 1.00 52.43 C ATOM 1198 O GLY A 86 16.642 14.365 -3.537 1.00 51.30 O ATOM 0 H GLY A 86 15.179 17.150 -1.100 1.00 75.11 H new ATOM 0 HA2 GLY A 86 15.533 16.812 -3.440 1.00 63.14 H new ATOM 0 HA3 GLY A 86 17.261 16.993 -3.205 1.00 63.14 H new ATOM 1202 N LYS A 87 16.419 14.656 -1.318 1.00 65.20 N ATOM 1203 CA LYS A 87 16.534 13.237 -1.008 1.00 45.43 C ATOM 1204 C LYS A 87 15.185 12.538 -1.145 1.00 23.33 C ATOM 1205 O LYS A 87 14.140 13.129 -0.869 1.00 3.52 O ATOM 1206 CB LYS A 87 17.078 13.044 0.408 1.00 42.33 C ATOM 1207 CG LYS A 87 18.517 13.502 0.575 1.00 44.20 C ATOM 1208 CD LYS A 87 19.498 12.403 0.202 1.00 70.33 C ATOM 1209 CE LYS A 87 19.829 12.430 -1.282 1.00 74.44 C ATOM 1210 NZ LYS A 87 21.165 11.837 -1.564 1.00 45.45 N ATOM 0 H LYS A 87 16.289 15.256 -0.503 1.00 65.20 H new ATOM 0 HA LYS A 87 17.228 12.792 -1.721 1.00 45.43 H new ATOM 0 HB2 LYS A 87 16.448 13.592 1.108 1.00 42.33 H new ATOM 0 HB3 LYS A 87 17.008 11.989 0.674 1.00 42.33 H new ATOM 0 HG2 LYS A 87 18.696 14.378 -0.049 1.00 44.20 H new ATOM 0 HG3 LYS A 87 18.686 13.806 1.608 1.00 44.20 H new ATOM 0 HD2 LYS A 87 20.414 12.519 0.782 1.00 70.33 H new ATOM 0 HD3 LYS A 87 19.076 11.433 0.464 1.00 70.33 H new ATOM 0 HE2 LYS A 87 19.065 11.883 -1.834 1.00 74.44 H new ATOM 0 HE3 LYS A 87 19.806 13.459 -1.640 1.00 74.44 H new ATOM 0 HZ1 LYS A 87 21.353 11.875 -2.586 1.00 45.45 H new ATOM 0 HZ2 LYS A 87 21.897 12.374 -1.058 1.00 45.45 H new ATOM 0 HZ3 LYS A 87 21.180 10.847 -1.245 1.00 45.45 H new ATOM 1220 N GLU A 88 15.213 11.279 -1.570 1.00 41.22 N ATOM 1221 CA GLU A 88 13.991 10.502 -1.740 1.00 53.34 C ATOM 1222 C GLU A 88 13.834 9.479 -0.618 1.00 75.21 C ATOM 1223 O GLU A 88 14.812 8.888 -0.161 1.00 52.44 O ATOM 1224 CB GLU A 88 13.999 9.791 -3.095 1.00 24.00 C ATOM 1225 CG GLU A 88 12.659 9.177 -3.468 1.00 13.33 C ATOM 1226 CD GLU A 88 12.619 8.691 -4.903 1.00 64.22 C ATOM 1227 OE1 GLU A 88 13.211 9.362 -5.775 1.00 64.02 O ATOM 1228 OE2 GLU A 88 11.996 7.638 -5.155 1.00 32.34 O ATOM 0 H GLU A 88 16.069 10.775 -1.803 1.00 41.22 H new ATOM 0 HA GLU A 88 13.146 11.189 -1.701 1.00 53.34 H new ATOM 0 HB2 GLU A 88 14.291 10.502 -3.868 1.00 24.00 H new ATOM 0 HB3 GLU A 88 14.757 9.008 -3.080 1.00 24.00 H new ATOM 0 HG2 GLU A 88 12.448 8.342 -2.800 1.00 13.33 H new ATOM 0 HG3 GLU A 88 11.871 9.914 -3.316 1.00 13.33 H new ATOM 1233 N THR A 89 12.597 9.279 -0.177 1.00 0.03 N ATOM 1234 CA THR A 89 12.311 8.332 0.892 1.00 5.44 C ATOM 1235 C THR A 89 11.693 7.051 0.342 1.00 63.31 C ATOM 1236 O THR A 89 10.732 7.094 -0.426 1.00 44.10 O ATOM 1237 CB THR A 89 11.357 8.938 1.940 1.00 14.30 C ATOM 1238 OG1 THR A 89 11.150 10.327 1.668 1.00 73.21 O ATOM 1239 CG2 THR A 89 11.921 8.771 3.343 1.00 0.33 C ATOM 0 H THR A 89 11.776 9.761 -0.544 1.00 0.03 H new ATOM 0 HA THR A 89 13.263 8.098 1.369 1.00 5.44 H new ATOM 0 HB THR A 89 10.405 8.411 1.881 1.00 14.30 H new ATOM 0 HG1 THR A 89 11.723 10.864 2.254 1.00 73.21 H new ATOM 0 HG21 THR A 89 11.231 9.206 4.067 1.00 0.33 H new ATOM 0 HG22 THR A 89 12.052 7.711 3.559 1.00 0.33 H new ATOM 0 HG23 THR A 89 12.884 9.277 3.411 1.00 0.33 H new ATOM 1247 N LYS A 90 12.251 5.913 0.738 1.00 74.05 N ATOM 1248 CA LYS A 90 11.755 4.618 0.287 1.00 53.25 C ATOM 1249 C LYS A 90 10.907 3.954 1.366 1.00 23.13 C ATOM 1250 O LYS A 90 11.223 4.035 2.553 1.00 25.52 O ATOM 1251 CB LYS A 90 12.923 3.706 -0.094 1.00 23.21 C ATOM 1252 CG LYS A 90 14.183 4.459 -0.482 1.00 52.41 C ATOM 1253 CD LYS A 90 13.967 5.299 -1.731 1.00 32.01 C ATOM 1254 CE LYS A 90 14.214 4.491 -2.995 1.00 35.10 C ATOM 1255 NZ LYS A 90 15.652 4.490 -3.381 1.00 23.32 N ATOM 0 H LYS A 90 13.049 5.861 1.372 1.00 74.05 H new ATOM 0 HA LYS A 90 11.130 4.782 -0.591 1.00 53.25 H new ATOM 0 HB2 LYS A 90 13.147 3.048 0.745 1.00 23.21 H new ATOM 0 HB3 LYS A 90 12.620 3.070 -0.926 1.00 23.21 H new ATOM 0 HG2 LYS A 90 14.492 5.103 0.342 1.00 52.41 H new ATOM 0 HG3 LYS A 90 14.993 3.751 -0.654 1.00 52.41 H new ATOM 0 HD2 LYS A 90 12.948 5.686 -1.739 1.00 32.01 H new ATOM 0 HD3 LYS A 90 14.635 6.160 -1.712 1.00 32.01 H new ATOM 0 HE2 LYS A 90 13.879 3.465 -2.842 1.00 35.10 H new ATOM 0 HE3 LYS A 90 13.619 4.902 -3.811 1.00 35.10 H new ATOM 0 HZ1 LYS A 90 15.779 3.929 -4.247 1.00 23.32 H new ATOM 0 HZ2 LYS A 90 15.966 5.467 -3.552 1.00 23.32 H new ATOM 0 HZ3 LYS A 90 16.217 4.074 -2.613 1.00 23.32 H new ATOM 1265 N SER A 91 9.832 3.295 0.946 1.00 1.21 N ATOM 1266 CA SER A 91 8.938 2.618 1.878 1.00 1.12 C ATOM 1267 C SER A 91 8.364 1.349 1.255 1.00 21.30 C ATOM 1268 O SER A 91 7.693 1.399 0.226 1.00 33.22 O ATOM 1269 CB SER A 91 7.802 3.553 2.298 1.00 2.32 C ATOM 1270 OG SER A 91 8.283 4.605 3.116 1.00 13.02 O ATOM 0 H SER A 91 9.559 3.215 -0.034 1.00 1.21 H new ATOM 0 HA SER A 91 9.515 2.340 2.760 1.00 1.12 H new ATOM 0 HB2 SER A 91 7.322 3.968 1.412 1.00 2.32 H new ATOM 0 HB3 SER A 91 7.042 2.987 2.837 1.00 2.32 H new ATOM 0 HG SER A 91 7.834 5.441 2.871 1.00 13.02 H new ATOM 1275 N ASN A 92 8.633 0.212 1.889 1.00 23.23 N ATOM 1276 CA ASN A 92 8.144 -1.071 1.398 1.00 73.31 C ATOM 1277 C ASN A 92 7.498 -1.875 2.524 1.00 31.12 C ATOM 1278 O ASN A 92 8.136 -2.166 3.536 1.00 4.22 O ATOM 1279 CB ASN A 92 9.289 -1.873 0.777 1.00 33.11 C ATOM 1280 CG ASN A 92 8.794 -3.033 -0.065 1.00 34.55 C ATOM 1281 OD1 ASN A 92 8.906 -3.017 -1.290 1.00 30.32 O ATOM 1282 ND2 ASN A 92 8.241 -4.046 0.592 1.00 60.35 N ATOM 0 H ASN A 92 9.187 0.153 2.744 1.00 23.23 H new ATOM 0 HA ASN A 92 7.390 -0.876 0.636 1.00 73.31 H new ATOM 0 HB2 ASN A 92 9.897 -1.213 0.159 1.00 33.11 H new ATOM 0 HB3 ASN A 92 9.934 -2.252 1.569 1.00 33.11 H new ATOM 0 HD21 ASN A 92 7.888 -4.854 0.080 1.00 60.35 H new ATOM 0 HD22 ASN A 92 8.169 -4.016 1.609 1.00 60.35 H new ATOM 1288 N TYR A 93 6.231 -2.228 2.339 1.00 14.44 N ATOM 1289 CA TYR A 93 5.498 -2.996 3.339 1.00 75.35 C ATOM 1290 C TYR A 93 4.770 -4.172 2.696 1.00 32.32 C ATOM 1291 O TYR A 93 3.928 -3.990 1.815 1.00 13.41 O ATOM 1292 CB TYR A 93 4.498 -2.098 4.068 1.00 32.12 C ATOM 1293 CG TYR A 93 5.014 -0.701 4.327 1.00 25.43 C ATOM 1294 CD1 TYR A 93 6.112 -0.485 5.148 1.00 11.30 C ATOM 1295 CD2 TYR A 93 4.401 0.404 3.747 1.00 71.02 C ATOM 1296 CE1 TYR A 93 6.586 0.791 5.389 1.00 63.23 C ATOM 1297 CE2 TYR A 93 4.870 1.684 3.980 1.00 3.10 C ATOM 1298 CZ TYR A 93 5.962 1.871 4.802 1.00 62.35 C ATOM 1299 OH TYR A 93 6.431 3.143 5.035 1.00 10.00 O ATOM 0 H TYR A 93 5.690 -1.995 1.506 1.00 14.44 H new ATOM 0 HA TYR A 93 6.216 -3.388 4.059 1.00 75.35 H new ATOM 0 HB2 TYR A 93 3.583 -2.035 3.479 1.00 32.12 H new ATOM 0 HB3 TYR A 93 4.234 -2.560 5.019 1.00 32.12 H new ATOM 0 HD1 TYR A 93 6.605 -1.329 5.607 1.00 11.30 H new ATOM 0 HD2 TYR A 93 3.545 0.260 3.104 1.00 71.02 H new ATOM 0 HE1 TYR A 93 7.440 0.941 6.033 1.00 63.23 H new ATOM 0 HE2 TYR A 93 4.384 2.532 3.521 1.00 3.10 H new ATOM 0 HH TYR A 93 5.683 3.776 5.016 1.00 10.00 H new ATOM 1308 N ARG A 94 5.100 -5.380 3.143 1.00 34.31 N ATOM 1309 CA ARG A 94 4.479 -6.586 2.612 1.00 64.10 C ATOM 1310 C ARG A 94 3.163 -6.881 3.328 1.00 61.13 C ATOM 1311 O ARG A 94 3.092 -6.849 4.556 1.00 51.23 O ATOM 1312 CB ARG A 94 5.427 -7.779 2.754 1.00 11.14 C ATOM 1313 CG ARG A 94 6.694 -7.651 1.925 1.00 63.51 C ATOM 1314 CD ARG A 94 7.938 -7.897 2.766 1.00 4.32 C ATOM 1315 NE ARG A 94 9.102 -8.211 1.944 1.00 31.23 N ATOM 1316 CZ ARG A 94 9.236 -9.342 1.260 1.00 71.44 C ATOM 1317 NH1 ARG A 94 8.281 -10.262 1.301 1.00 13.03 N ATOM 1318 NH2 ARG A 94 10.325 -9.555 0.533 1.00 21.10 N ATOM 0 H ARG A 94 5.794 -5.548 3.871 1.00 34.31 H new ATOM 0 HA ARG A 94 4.269 -6.421 1.555 1.00 64.10 H new ATOM 0 HB2 ARG A 94 5.699 -7.893 3.803 1.00 11.14 H new ATOM 0 HB3 ARG A 94 4.901 -8.687 2.461 1.00 11.14 H new ATOM 0 HG2 ARG A 94 6.664 -8.363 1.101 1.00 63.51 H new ATOM 0 HG3 ARG A 94 6.743 -6.655 1.484 1.00 63.51 H new ATOM 0 HD2 ARG A 94 8.148 -7.014 3.369 1.00 4.32 H new ATOM 0 HD3 ARG A 94 7.751 -8.718 3.458 1.00 4.32 H new ATOM 0 HE ARG A 94 9.854 -7.524 1.892 1.00 31.23 H new ATOM 0 HH11 ARG A 94 7.442 -10.102 1.858 1.00 13.03 H new ATOM 0 HH12 ARG A 94 8.386 -11.130 0.775 1.00 13.03 H new ATOM 0 HH21 ARG A 94 11.061 -8.850 0.499 1.00 21.10 H new ATOM 0 HH22 ARG A 94 10.426 -10.424 0.009 1.00 21.10 H new ATOM 1329 N VAL A 95 2.124 -7.167 2.551 1.00 72.11 N ATOM 1330 CA VAL A 95 0.812 -7.467 3.109 1.00 22.33 C ATOM 1331 C VAL A 95 0.343 -8.859 2.698 1.00 54.25 C ATOM 1332 O VAL A 95 0.477 -9.252 1.539 1.00 61.51 O ATOM 1333 CB VAL A 95 -0.239 -6.433 2.663 1.00 3.23 C ATOM 1334 CG1 VAL A 95 -1.629 -6.851 3.118 1.00 31.24 C ATOM 1335 CG2 VAL A 95 0.113 -5.052 3.197 1.00 64.01 C ATOM 0 H VAL A 95 2.166 -7.197 1.532 1.00 72.11 H new ATOM 0 HA VAL A 95 0.915 -7.426 4.193 1.00 22.33 H new ATOM 0 HB VAL A 95 -0.239 -6.388 1.574 1.00 3.23 H new ATOM 0 HG11 VAL A 95 -2.357 -6.108 2.793 1.00 31.24 H new ATOM 0 HG12 VAL A 95 -1.879 -7.818 2.682 1.00 31.24 H new ATOM 0 HG13 VAL A 95 -1.648 -6.927 4.205 1.00 31.24 H new ATOM 0 HG21 VAL A 95 -0.640 -4.334 2.873 1.00 64.01 H new ATOM 0 HG22 VAL A 95 0.142 -5.080 4.286 1.00 64.01 H new ATOM 0 HG23 VAL A 95 1.089 -4.752 2.815 1.00 64.01 H new ATOM 1345 N ARG A 96 -0.204 -9.600 3.655 1.00 40.22 N ATOM 1346 CA ARG A 96 -0.691 -10.949 3.393 1.00 63.24 C ATOM 1347 C ARG A 96 -2.105 -11.133 3.939 1.00 62.55 C ATOM 1348 O ARG A 96 -2.493 -10.490 4.912 1.00 33.41 O ATOM 1349 CB ARG A 96 0.247 -11.983 4.017 1.00 45.15 C ATOM 1350 CG ARG A 96 0.897 -12.909 3.000 1.00 34.53 C ATOM 1351 CD ARG A 96 -0.053 -14.015 2.568 1.00 55.53 C ATOM 1352 NE ARG A 96 -0.466 -14.851 3.691 1.00 13.43 N ATOM 1353 CZ ARG A 96 0.313 -15.774 4.246 1.00 12.34 C ATOM 1354 NH1 ARG A 96 1.540 -15.977 3.786 1.00 33.53 N ATOM 1355 NH2 ARG A 96 -0.135 -16.495 5.266 1.00 2.34 N ATOM 0 H ARG A 96 -0.321 -9.289 4.619 1.00 40.22 H new ATOM 0 HA ARG A 96 -0.715 -11.096 2.313 1.00 63.24 H new ATOM 0 HB2 ARG A 96 1.027 -11.464 4.574 1.00 45.15 H new ATOM 0 HB3 ARG A 96 -0.313 -12.582 4.735 1.00 45.15 H new ATOM 0 HG2 ARG A 96 1.208 -12.333 2.128 1.00 34.53 H new ATOM 0 HG3 ARG A 96 1.798 -13.348 3.429 1.00 34.53 H new ATOM 0 HD2 ARG A 96 -0.934 -13.574 2.101 1.00 55.53 H new ATOM 0 HD3 ARG A 96 0.431 -14.635 1.814 1.00 55.53 H new ATOM 0 HE ARG A 96 -1.404 -14.720 4.071 1.00 13.43 H new ATOM 0 HH11 ARG A 96 1.889 -15.424 3.003 1.00 33.53 H new ATOM 0 HH12 ARG A 96 2.135 -16.686 4.215 1.00 33.53 H new ATOM 0 HH21 ARG A 96 -1.077 -16.341 5.624 1.00 2.34 H new ATOM 0 HH22 ARG A 96 0.463 -17.203 5.692 1.00 2.34 H new ATOM 1366 N VAL A 97 -2.869 -12.016 3.302 1.00 14.12 N ATOM 1367 CA VAL A 97 -4.238 -12.285 3.724 1.00 4.43 C ATOM 1368 C VAL A 97 -4.373 -13.696 4.289 1.00 55.42 C ATOM 1369 O VAL A 97 -3.385 -14.421 4.414 1.00 61.20 O ATOM 1370 CB VAL A 97 -5.228 -12.115 2.557 1.00 63.22 C ATOM 1371 CG1 VAL A 97 -5.061 -10.750 1.908 1.00 51.31 C ATOM 1372 CG2 VAL A 97 -5.044 -13.227 1.536 1.00 73.21 C ATOM 0 H VAL A 97 -2.563 -12.556 2.493 1.00 14.12 H new ATOM 0 HA VAL A 97 -4.477 -11.561 4.503 1.00 4.43 H new ATOM 0 HB VAL A 97 -6.242 -12.180 2.952 1.00 63.22 H new ATOM 0 HG11 VAL A 97 -5.769 -10.649 1.086 1.00 51.31 H new ATOM 0 HG12 VAL A 97 -5.249 -9.971 2.646 1.00 51.31 H new ATOM 0 HG13 VAL A 97 -4.045 -10.651 1.526 1.00 51.31 H new ATOM 0 HG21 VAL A 97 -5.752 -13.091 0.718 1.00 73.21 H new ATOM 0 HG22 VAL A 97 -4.027 -13.197 1.145 1.00 73.21 H new ATOM 0 HG23 VAL A 97 -5.221 -14.191 2.012 1.00 73.21 H new ATOM 1382 N TYR A 98 -5.598 -14.077 4.627 1.00 24.52 N ATOM 1383 CA TYR A 98 -5.862 -15.400 5.180 1.00 1.31 C ATOM 1384 C TYR A 98 -5.614 -16.485 4.137 1.00 64.20 C ATOM 1385 O TYR A 98 -4.598 -17.179 4.178 1.00 11.31 O ATOM 1386 CB TYR A 98 -7.302 -15.485 5.689 1.00 42.34 C ATOM 1387 CG TYR A 98 -7.644 -16.819 6.314 1.00 21.34 C ATOM 1388 CD1 TYR A 98 -6.713 -17.508 7.080 1.00 3.15 C ATOM 1389 CD2 TYR A 98 -8.899 -17.389 6.139 1.00 42.32 C ATOM 1390 CE1 TYR A 98 -7.021 -18.727 7.654 1.00 44.22 C ATOM 1391 CE2 TYR A 98 -9.216 -18.607 6.709 1.00 10.11 C ATOM 1392 CZ TYR A 98 -8.275 -19.273 7.466 1.00 74.33 C ATOM 1393 OH TYR A 98 -8.586 -20.485 8.034 1.00 0.42 O ATOM 0 H TYR A 98 -6.425 -13.489 4.528 1.00 24.52 H new ATOM 0 HA TYR A 98 -5.179 -15.561 6.014 1.00 1.31 H new ATOM 0 HB2 TYR A 98 -7.466 -14.696 6.423 1.00 42.34 H new ATOM 0 HB3 TYR A 98 -7.984 -15.296 4.860 1.00 42.34 H new ATOM 0 HD1 TYR A 98 -5.731 -17.084 7.230 1.00 3.15 H new ATOM 0 HD2 TYR A 98 -9.639 -16.871 5.547 1.00 42.32 H new ATOM 0 HE1 TYR A 98 -6.285 -19.250 8.246 1.00 44.22 H new ATOM 0 HE2 TYR A 98 -10.196 -19.036 6.562 1.00 10.11 H new ATOM 0 HH TYR A 98 -9.508 -20.726 7.806 1.00 0.42 H new ATOM 1402 N GLN A 99 -6.549 -16.625 3.205 1.00 62.14 N ATOM 1403 CA GLN A 99 -6.432 -17.627 2.150 1.00 20.33 C ATOM 1404 C GLN A 99 -5.233 -17.337 1.255 1.00 61.25 C ATOM 1405 O GLN A 99 -4.984 -16.189 0.886 1.00 4.34 O ATOM 1406 CB GLN A 99 -7.712 -17.666 1.312 1.00 60.11 C ATOM 1407 CG GLN A 99 -8.601 -18.860 1.614 1.00 3.02 C ATOM 1408 CD GLN A 99 -8.895 -19.008 3.094 1.00 45.13 C ATOM 1409 OE1 GLN A 99 -9.850 -18.426 3.610 1.00 41.22 O ATOM 1410 NE2 GLN A 99 -8.076 -19.791 3.785 1.00 2.31 N ATOM 0 H GLN A 99 -7.396 -16.059 3.157 1.00 62.14 H new ATOM 0 HA GLN A 99 -6.284 -18.599 2.621 1.00 20.33 H new ATOM 0 HB2 GLN A 99 -8.277 -16.750 1.485 1.00 60.11 H new ATOM 0 HB3 GLN A 99 -7.444 -17.681 0.256 1.00 60.11 H new ATOM 0 HG2 GLN A 99 -9.540 -18.757 1.069 1.00 3.02 H new ATOM 0 HG3 GLN A 99 -8.120 -19.768 1.250 1.00 3.02 H new ATOM 0 HE21 GLN A 99 -7.297 -20.254 3.317 1.00 2.31 H new ATOM 0 HE22 GLN A 99 -8.226 -19.930 4.784 1.00 2.31 H new ATOM 1417 N ILE A 100 -4.492 -18.386 0.910 1.00 71.25 N ATOM 1418 CA ILE A 100 -3.319 -18.243 0.057 1.00 54.04 C ATOM 1419 C ILE A 100 -3.456 -19.079 -1.211 1.00 40.34 C ATOM 1420 O ILE A 100 -4.239 -20.026 -1.279 1.00 13.20 O ATOM 1421 CB ILE A 100 -2.033 -18.658 0.796 1.00 3.10 C ATOM 1422 CG1 ILE A 100 -2.350 -19.696 1.876 1.00 33.42 C ATOM 1423 CG2 ILE A 100 -1.355 -17.440 1.407 1.00 23.41 C ATOM 1424 CD1 ILE A 100 -1.123 -20.240 2.570 1.00 44.34 C ATOM 0 H ILE A 100 -4.683 -19.343 1.208 1.00 71.25 H new ATOM 0 HA ILE A 100 -3.250 -17.189 -0.212 1.00 54.04 H new ATOM 0 HB ILE A 100 -1.349 -19.108 0.077 1.00 3.10 H new ATOM 0 HG12 ILE A 100 -3.008 -19.246 2.619 1.00 33.42 H new ATOM 0 HG13 ILE A 100 -2.898 -20.523 1.424 1.00 33.42 H new ATOM 0 HG21 ILE A 100 -0.448 -17.750 1.926 1.00 23.41 H new ATOM 0 HG22 ILE A 100 -1.098 -16.733 0.618 1.00 23.41 H new ATOM 0 HG23 ILE A 100 -2.033 -16.963 2.115 1.00 23.41 H new ATOM 0 HD11 ILE A 100 -1.424 -20.970 3.322 1.00 44.34 H new ATOM 0 HD12 ILE A 100 -0.474 -20.720 1.838 1.00 44.34 H new ATOM 0 HD13 ILE A 100 -0.585 -19.423 3.052 1.00 44.34 H new ATOM 1435 N PRO A 101 -2.673 -18.724 -2.241 1.00 51.12 N ATOM 1436 CA PRO A 101 -2.687 -19.430 -3.525 1.00 15.10 C ATOM 1437 C PRO A 101 -2.086 -20.828 -3.424 1.00 71.34 C ATOM 1438 O PRO A 101 -0.990 -21.006 -2.897 1.00 62.22 O ATOM 1439 CB PRO A 101 -1.826 -18.542 -4.428 1.00 3.23 C ATOM 1440 CG PRO A 101 -0.923 -17.814 -3.493 1.00 1.41 C ATOM 1441 CD PRO A 101 -1.715 -17.606 -2.230 1.00 73.12 C ATOM 0 HA PRO A 101 -3.701 -19.582 -3.895 1.00 15.10 H new ATOM 0 HB2 PRO A 101 -1.259 -19.137 -5.144 1.00 3.23 H new ATOM 0 HB3 PRO A 101 -2.440 -17.850 -5.005 1.00 3.23 H new ATOM 0 HG2 PRO A 101 -0.019 -18.390 -3.296 1.00 1.41 H new ATOM 0 HG3 PRO A 101 -0.608 -16.861 -3.918 1.00 1.41 H new ATOM 0 HD2 PRO A 101 -1.077 -17.632 -1.347 1.00 73.12 H new ATOM 0 HD3 PRO A 101 -2.223 -16.642 -2.228 1.00 73.12 H new