USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 469 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 58 THR OG1 : rot -59:sc= 0.0724 USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= 0.015 USER MOD Set 2.1: A 8 MET CE :methyl -147:sc= 0 (180deg=-0.341) USER MOD Set 2.2: A 76 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 78 HIS : no HD1:sc= -0.986 K(o=-0.99,f=-0.28) USER MOD Set 3.1: A 25 HIS : no HD1:sc= -2.41 K(o=-3.4,f=-1.8) USER MOD Set 3.2: A 64 ASN : amide:sc= -0.983 K(o=-3.4,f=-1.8) USER MOD Set 4.1: A 61 MET CE :methyl -116:sc=-0.00411 (180deg=-0.0666) USER MOD Set 4.2: A 66 HIS : no HD1:sc= -0.485 X(o=-0.49,f=-0.52) USER MOD Single : A 2 ASN : amide:sc= 0.245 X(o=0.24,f=0.29) USER MOD Single : A 5 MET CE :methyl 153:sc= -0.0894 (180deg=-0.264) USER MOD Single : A 11 GLN : amide:sc= 0.169 X(o=0.17,f=-0.021) USER MOD Single : A 14 THR OG1 : rot -58:sc= 0.562 USER MOD Single : A 21 GLN : amide:sc= -0.338 K(o=-0.34,f=-3.6) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 24 SER OG : rot 88:sc= 0.108 USER MOD Single : A 28 GLN : amide:sc= -1.13! C(o=-1.1!,f=-4.4!) USER MOD Single : A 52 SER OG : rot 180:sc=-0.00227 USER MOD Single : A 53 HIS : no HD1:sc= -0.429 X(o=-0.43,f=-0.19) USER MOD Single : A 55 GLN : amide:sc= -0.477 K(o=-0.48,f=-3.4!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.123 K(o=-0.12,f=-2!) USER MOD Single : A 73 GLN : amide:sc= -0.467 X(o=-0.47,f=-0.0084) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -176:sc=-0.00106 (180deg=-0.00818) USER MOD Single : A 80 SER OG : rot -177:sc= -1.02 USER MOD ----------------------------------------------------------------- ATOM 11 N ASN A 2 -4.644 7.481 -0.980 1.00 63.51 N ATOM 12 CA ASN A 2 -4.222 7.135 0.376 1.00 13.12 C ATOM 13 C ASN A 2 -4.016 5.616 0.453 1.00 44.12 C ATOM 14 O ASN A 2 -4.195 5.009 1.502 1.00 71.24 O ATOM 15 CB ASN A 2 -5.299 7.601 1.378 1.00 22.32 C ATOM 16 CG ASN A 2 -6.585 6.793 1.248 1.00 73.44 C ATOM 17 OD1 ASN A 2 -7.151 6.727 0.159 1.00 71.21 O ATOM 18 ND2 ASN A 2 -7.029 6.159 2.320 1.00 55.24 N ATOM 0 HA ASN A 2 -3.284 7.631 0.627 1.00 13.12 H new ATOM 0 HB2 ASN A 2 -4.914 7.509 2.394 1.00 22.32 H new ATOM 0 HB3 ASN A 2 -5.515 8.657 1.213 1.00 22.32 H new ATOM 0 HD21 ASN A 2 -7.872 5.588 2.262 1.00 55.24 H new ATOM 0 HD22 ASN A 2 -6.528 6.241 3.205 1.00 55.24 H new ATOM 24 N ILE A 3 -3.699 4.976 -0.671 1.00 4.14 N ATOM 25 CA ILE A 3 -3.524 3.537 -0.794 1.00 60.25 C ATOM 26 C ILE A 3 -2.316 3.372 -1.708 1.00 43.01 C ATOM 27 O ILE A 3 -2.175 4.151 -2.663 1.00 32.33 O ATOM 28 CB ILE A 3 -4.795 2.898 -1.398 1.00 13.42 C ATOM 29 CG1 ILE A 3 -6.052 3.177 -0.545 1.00 12.14 C ATOM 30 CG2 ILE A 3 -4.640 1.383 -1.603 1.00 63.14 C ATOM 31 CD1 ILE A 3 -7.327 2.525 -1.085 1.00 61.41 C ATOM 0 H ILE A 3 -3.552 5.468 -1.552 1.00 4.14 H new ATOM 0 HA ILE A 3 -3.365 3.043 0.164 1.00 60.25 H new ATOM 0 HB ILE A 3 -4.927 3.369 -2.372 1.00 13.42 H new ATOM 0 HG12 ILE A 3 -5.876 2.821 0.470 1.00 12.14 H new ATOM 0 HG13 ILE A 3 -6.205 4.254 -0.483 1.00 12.14 H new ATOM 0 HG21 ILE A 3 -5.558 0.978 -2.029 1.00 63.14 H new ATOM 0 HG22 ILE A 3 -3.809 1.191 -2.282 1.00 63.14 H new ATOM 0 HG23 ILE A 3 -4.443 0.904 -0.644 1.00 63.14 H new ATOM 0 HD11 ILE A 3 -8.165 2.768 -0.431 1.00 61.41 H new ATOM 0 HD12 ILE A 3 -7.530 2.899 -2.089 1.00 61.41 H new ATOM 0 HD13 ILE A 3 -7.196 1.444 -1.120 1.00 61.41 H new ATOM 42 N VAL A 4 -1.438 2.410 -1.406 1.00 23.23 N ATOM 43 CA VAL A 4 -0.190 2.266 -2.148 1.00 60.15 C ATOM 44 C VAL A 4 -0.061 0.815 -2.615 1.00 31.22 C ATOM 45 O VAL A 4 -0.098 -0.132 -1.821 1.00 40.22 O ATOM 46 CB VAL A 4 0.996 2.831 -1.346 1.00 35.21 C ATOM 47 CG1 VAL A 4 2.203 2.964 -2.271 1.00 14.11 C ATOM 48 CG2 VAL A 4 0.658 4.215 -0.750 1.00 32.10 C ATOM 0 H VAL A 4 -1.570 1.727 -0.660 1.00 23.23 H new ATOM 0 HA VAL A 4 -0.189 2.870 -3.055 1.00 60.15 H new ATOM 0 HB VAL A 4 1.216 2.148 -0.525 1.00 35.21 H new ATOM 0 HG11 VAL A 4 3.048 3.364 -1.711 1.00 14.11 H new ATOM 0 HG12 VAL A 4 2.464 1.985 -2.672 1.00 14.11 H new ATOM 0 HG13 VAL A 4 1.960 3.639 -3.092 1.00 14.11 H new ATOM 0 HG21 VAL A 4 1.515 4.589 -0.189 1.00 32.10 H new ATOM 0 HG22 VAL A 4 0.421 4.910 -1.556 1.00 32.10 H new ATOM 0 HG23 VAL A 4 -0.200 4.125 -0.084 1.00 32.10 H new ATOM 58 N MET A 5 0.032 0.646 -3.931 1.00 61.52 N ATOM 59 CA MET A 5 0.157 -0.620 -4.626 1.00 51.34 C ATOM 60 C MET A 5 1.637 -0.877 -4.823 1.00 54.13 C ATOM 61 O MET A 5 2.300 -0.133 -5.545 1.00 74.33 O ATOM 62 CB MET A 5 -0.568 -0.542 -5.980 1.00 75.42 C ATOM 63 CG MET A 5 -1.384 -1.785 -6.296 1.00 33.44 C ATOM 64 SD MET A 5 -2.189 -1.634 -7.906 1.00 24.51 S ATOM 65 CE MET A 5 -2.066 -3.358 -8.410 1.00 35.33 C ATOM 0 H MET A 5 0.021 1.439 -4.573 1.00 61.52 H new ATOM 0 HA MET A 5 -0.294 -1.431 -4.055 1.00 51.34 H new ATOM 0 HB2 MET A 5 -1.226 0.327 -5.983 1.00 75.42 H new ATOM 0 HB3 MET A 5 0.167 -0.388 -6.770 1.00 75.42 H new ATOM 0 HG2 MET A 5 -0.736 -2.662 -6.289 1.00 33.44 H new ATOM 0 HG3 MET A 5 -2.136 -1.938 -5.522 1.00 33.44 H new ATOM 0 HE1 MET A 5 -2.875 -3.594 -9.102 1.00 35.33 H new ATOM 0 HE2 MET A 5 -1.108 -3.526 -8.902 1.00 35.33 H new ATOM 0 HE3 MET A 5 -2.141 -4.000 -7.532 1.00 35.33 H new ATOM 73 N LEU A 6 2.157 -1.898 -4.151 1.00 71.23 N ATOM 74 CA LEU A 6 3.583 -2.192 -4.116 1.00 2.43 C ATOM 75 C LEU A 6 3.819 -3.393 -5.011 1.00 53.23 C ATOM 76 O LEU A 6 3.825 -4.525 -4.545 1.00 44.25 O ATOM 77 CB LEU A 6 4.016 -2.461 -2.667 1.00 14.14 C ATOM 78 CG LEU A 6 3.715 -1.311 -1.693 1.00 71.41 C ATOM 79 CD1 LEU A 6 4.177 -1.714 -0.299 1.00 24.34 C ATOM 80 CD2 LEU A 6 4.406 -0.021 -2.140 1.00 13.34 C ATOM 0 H LEU A 6 1.592 -2.552 -3.609 1.00 71.23 H new ATOM 0 HA LEU A 6 4.177 -1.352 -4.477 1.00 2.43 H new ATOM 0 HB2 LEU A 6 3.516 -3.362 -2.312 1.00 14.14 H new ATOM 0 HB3 LEU A 6 5.087 -2.664 -2.652 1.00 14.14 H new ATOM 0 HG LEU A 6 2.642 -1.119 -1.681 1.00 71.41 H new ATOM 0 HD11 LEU A 6 3.969 -0.905 0.401 1.00 24.34 H new ATOM 0 HD12 LEU A 6 3.645 -2.612 0.015 1.00 24.34 H new ATOM 0 HD13 LEU A 6 5.248 -1.913 -0.314 1.00 24.34 H new ATOM 0 HD21 LEU A 6 4.177 0.778 -1.434 1.00 13.34 H new ATOM 0 HD22 LEU A 6 5.484 -0.178 -2.173 1.00 13.34 H new ATOM 0 HD23 LEU A 6 4.049 0.258 -3.132 1.00 13.34 H new ATOM 91 N ARG A 7 3.899 -3.173 -6.322 1.00 73.41 N ATOM 92 CA ARG A 7 3.631 -4.230 -7.316 1.00 73.13 C ATOM 93 C ARG A 7 4.762 -5.219 -7.517 1.00 72.54 C ATOM 94 O ARG A 7 4.639 -6.163 -8.295 1.00 15.31 O ATOM 95 CB ARG A 7 3.292 -3.582 -8.655 1.00 14.30 C ATOM 96 CG ARG A 7 1.871 -3.026 -8.610 1.00 15.40 C ATOM 97 CD ARG A 7 1.677 -2.244 -9.894 1.00 11.31 C ATOM 98 NE ARG A 7 0.364 -1.589 -9.960 1.00 31.42 N ATOM 99 CZ ARG A 7 -0.140 -0.959 -11.028 1.00 31.40 C ATOM 100 NH1 ARG A 7 0.588 -0.781 -12.127 1.00 62.55 N ATOM 101 NH2 ARG A 7 -1.385 -0.506 -10.968 1.00 3.01 N ATOM 0 H ARG A 7 4.148 -2.271 -6.729 1.00 73.41 H new ATOM 0 HA ARG A 7 2.797 -4.808 -6.918 1.00 73.13 H new ATOM 0 HB2 ARG A 7 4.000 -2.782 -8.873 1.00 14.30 H new ATOM 0 HB3 ARG A 7 3.382 -4.314 -9.458 1.00 14.30 H new ATOM 0 HG2 ARG A 7 1.141 -3.832 -8.532 1.00 15.40 H new ATOM 0 HG3 ARG A 7 1.732 -2.385 -7.740 1.00 15.40 H new ATOM 0 HD2 ARG A 7 2.460 -1.491 -9.979 1.00 11.31 H new ATOM 0 HD3 ARG A 7 1.788 -2.916 -10.745 1.00 11.31 H new ATOM 0 HE ARG A 7 -0.213 -1.617 -9.120 1.00 31.42 H new ATOM 0 HH11 ARG A 7 1.547 -1.127 -12.165 1.00 62.55 H new ATOM 0 HH12 ARG A 7 0.187 -0.299 -12.931 1.00 62.55 H new ATOM 0 HH21 ARG A 7 -1.937 -0.641 -10.121 1.00 3.01 H new ATOM 0 HH22 ARG A 7 -1.791 -0.023 -11.769 1.00 3.01 H new ATOM 112 N MET A 8 5.874 -4.963 -6.867 1.00 12.44 N ATOM 113 CA MET A 8 7.113 -5.696 -6.994 1.00 41.11 C ATOM 114 C MET A 8 7.630 -5.977 -5.589 1.00 55.21 C ATOM 115 O MET A 8 8.595 -5.357 -5.158 1.00 73.35 O ATOM 116 CB MET A 8 8.084 -4.898 -7.887 1.00 13.00 C ATOM 117 CG MET A 8 7.528 -4.730 -9.308 1.00 61.32 C ATOM 118 SD MET A 8 8.762 -4.479 -10.609 1.00 0.30 S ATOM 119 CE MET A 8 9.622 -3.022 -9.969 1.00 34.24 C ATOM 0 H MET A 8 5.942 -4.195 -6.199 1.00 12.44 H new ATOM 0 HA MET A 8 6.985 -6.659 -7.488 1.00 41.11 H new ATOM 0 HB2 MET A 8 8.263 -3.917 -7.446 1.00 13.00 H new ATOM 0 HB3 MET A 8 9.046 -5.409 -7.929 1.00 13.00 H new ATOM 0 HG2 MET A 8 6.941 -5.614 -9.555 1.00 61.32 H new ATOM 0 HG3 MET A 8 6.844 -3.881 -9.313 1.00 61.32 H new ATOM 0 HE1 MET A 8 9.959 -2.404 -10.801 1.00 34.24 H new ATOM 0 HE2 MET A 8 8.943 -2.446 -9.341 1.00 34.24 H new ATOM 0 HE3 MET A 8 10.483 -3.337 -9.379 1.00 34.24 H new ATOM 127 N LEU A 9 6.942 -6.850 -4.844 1.00 2.03 N ATOM 128 CA LEU A 9 7.369 -7.294 -3.515 1.00 51.04 C ATOM 129 C LEU A 9 7.933 -8.713 -3.580 1.00 40.01 C ATOM 130 O LEU A 9 7.423 -9.519 -4.365 1.00 4.24 O ATOM 131 CB LEU A 9 6.155 -7.265 -2.566 1.00 40.23 C ATOM 132 CG LEU A 9 6.320 -6.402 -1.305 1.00 32.13 C ATOM 133 CD1 LEU A 9 6.862 -4.995 -1.572 1.00 51.02 C ATOM 134 CD2 LEU A 9 4.941 -6.257 -0.659 1.00 31.12 C ATOM 0 H LEU A 9 6.065 -7.271 -5.151 1.00 2.03 H new ATOM 0 HA LEU A 9 8.149 -6.627 -3.148 1.00 51.04 H new ATOM 0 HB2 LEU A 9 5.290 -6.903 -3.122 1.00 40.23 H new ATOM 0 HB3 LEU A 9 5.932 -8.287 -2.259 1.00 40.23 H new ATOM 0 HG LEU A 9 7.048 -6.905 -0.668 1.00 32.13 H new ATOM 0 HD11 LEU A 9 6.948 -4.453 -0.630 1.00 51.02 H new ATOM 0 HD12 LEU A 9 7.844 -5.066 -2.040 1.00 51.02 H new ATOM 0 HD13 LEU A 9 6.181 -4.463 -2.236 1.00 51.02 H new ATOM 0 HD21 LEU A 9 5.023 -5.648 0.241 1.00 31.12 H new ATOM 0 HD22 LEU A 9 4.259 -5.777 -1.361 1.00 31.12 H new ATOM 0 HD23 LEU A 9 4.557 -7.243 -0.397 1.00 31.12 H new ATOM 145 N PRO A 10 8.944 -9.058 -2.767 1.00 42.32 N ATOM 146 CA PRO A 10 9.451 -10.419 -2.688 1.00 42.01 C ATOM 147 C PRO A 10 8.493 -11.380 -1.996 1.00 35.21 C ATOM 148 O PRO A 10 7.688 -10.996 -1.147 1.00 52.01 O ATOM 149 CB PRO A 10 10.767 -10.347 -1.913 1.00 60.24 C ATOM 150 CG PRO A 10 10.696 -9.027 -1.171 1.00 43.33 C ATOM 151 CD PRO A 10 9.769 -8.147 -1.992 1.00 73.51 C ATOM 0 HA PRO A 10 9.581 -10.810 -3.697 1.00 42.01 H new ATOM 0 HB2 PRO A 10 10.869 -11.185 -1.224 1.00 60.24 H new ATOM 0 HB3 PRO A 10 11.625 -10.380 -2.584 1.00 60.24 H new ATOM 0 HG2 PRO A 10 10.312 -9.165 -0.160 1.00 43.33 H new ATOM 0 HG3 PRO A 10 11.684 -8.576 -1.078 1.00 43.33 H new ATOM 0 HD2 PRO A 10 9.156 -7.516 -1.348 1.00 73.51 H new ATOM 0 HD3 PRO A 10 10.336 -7.482 -2.644 1.00 73.51 H new ATOM 156 N GLN A 11 8.696 -12.665 -2.285 1.00 64.11 N ATOM 157 CA GLN A 11 7.921 -13.788 -1.769 1.00 33.42 C ATOM 158 C GLN A 11 8.136 -14.031 -0.266 1.00 24.40 C ATOM 159 O GLN A 11 7.402 -14.834 0.313 1.00 43.45 O ATOM 160 CB GLN A 11 8.264 -15.036 -2.609 1.00 54.04 C ATOM 161 CG GLN A 11 7.440 -16.307 -2.353 1.00 0.00 C ATOM 162 CD GLN A 11 5.944 -16.081 -2.537 1.00 60.34 C ATOM 163 OE1 GLN A 11 5.438 -16.121 -3.659 1.00 2.23 O ATOM 164 NE2 GLN A 11 5.217 -15.809 -1.467 1.00 54.02 N ATOM 0 H GLN A 11 9.441 -12.963 -2.915 1.00 64.11 H new ATOM 0 HA GLN A 11 6.861 -13.554 -1.863 1.00 33.42 H new ATOM 0 HB2 GLN A 11 8.160 -14.773 -3.662 1.00 54.04 H new ATOM 0 HB3 GLN A 11 9.314 -15.276 -2.443 1.00 54.04 H new ATOM 0 HG2 GLN A 11 7.771 -17.093 -3.031 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.629 -16.660 -1.339 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.655 -15.781 -0.546 1.00 54.02 H new ATOM 0 HE22 GLN A 11 4.218 -15.628 -1.562 1.00 54.02 H new ATOM 171 N ALA A 12 9.086 -13.355 0.389 1.00 13.00 N ATOM 172 CA ALA A 12 9.249 -13.404 1.840 1.00 20.13 C ATOM 173 C ALA A 12 8.661 -12.188 2.562 1.00 44.23 C ATOM 174 O ALA A 12 8.368 -12.322 3.750 1.00 71.22 O ATOM 175 CB ALA A 12 10.729 -13.538 2.194 1.00 71.22 C ATOM 0 H ALA A 12 9.766 -12.756 -0.079 1.00 13.00 H new ATOM 0 HA ALA A 12 8.691 -14.276 2.182 1.00 20.13 H new ATOM 0 HB1 ALA A 12 10.842 -13.574 3.278 1.00 71.22 H new ATOM 0 HB2 ALA A 12 11.126 -14.454 1.757 1.00 71.22 H new ATOM 0 HB3 ALA A 12 11.276 -12.682 1.800 1.00 71.22 H new ATOM 181 N ALA A 13 8.500 -11.032 1.896 1.00 31.21 N ATOM 182 CA ALA A 13 8.197 -9.788 2.604 1.00 22.21 C ATOM 183 C ALA A 13 6.913 -9.929 3.424 1.00 42.24 C ATOM 184 O ALA A 13 5.904 -10.435 2.927 1.00 72.12 O ATOM 185 CB ALA A 13 8.028 -8.607 1.645 1.00 74.12 C ATOM 0 H ALA A 13 8.574 -10.938 0.883 1.00 31.21 H new ATOM 0 HA ALA A 13 9.045 -9.593 3.260 1.00 22.21 H new ATOM 0 HB1 ALA A 13 7.804 -7.705 2.215 1.00 74.12 H new ATOM 0 HB2 ALA A 13 8.950 -8.461 1.082 1.00 74.12 H new ATOM 0 HB3 ALA A 13 7.210 -8.813 0.955 1.00 74.12 H new ATOM 191 N THR A 14 6.938 -9.444 4.658 1.00 60.51 N ATOM 192 CA THR A 14 5.802 -9.534 5.560 1.00 61.34 C ATOM 193 C THR A 14 5.010 -8.237 5.553 1.00 62.35 C ATOM 194 O THR A 14 5.472 -7.207 5.063 1.00 41.32 O ATOM 195 CB THR A 14 6.314 -9.899 6.959 1.00 75.43 C ATOM 196 OG1 THR A 14 7.241 -8.944 7.421 1.00 44.41 O ATOM 197 CG2 THR A 14 6.922 -11.300 7.002 1.00 75.11 C ATOM 0 H THR A 14 7.750 -8.976 5.061 1.00 60.51 H new ATOM 0 HA THR A 14 5.117 -10.315 5.229 1.00 61.34 H new ATOM 0 HB THR A 14 5.450 -9.898 7.624 1.00 75.43 H new ATOM 0 HG1 THR A 14 7.989 -8.882 6.790 1.00 44.41 H new ATOM 0 HG21 THR A 14 7.271 -11.514 8.012 1.00 75.11 H new ATOM 0 HG22 THR A 14 6.168 -12.033 6.715 1.00 75.11 H new ATOM 0 HG23 THR A 14 7.762 -11.354 6.309 1.00 75.11 H new ATOM 205 N GLU A 15 3.805 -8.263 6.128 1.00 3.24 N ATOM 206 CA GLU A 15 3.088 -7.021 6.379 1.00 3.03 C ATOM 207 C GLU A 15 3.905 -6.119 7.299 1.00 1.33 C ATOM 208 O GLU A 15 3.893 -4.899 7.155 1.00 2.20 O ATOM 209 CB GLU A 15 1.716 -7.307 7.005 1.00 32.31 C ATOM 210 CG GLU A 15 0.632 -6.494 6.300 1.00 2.20 C ATOM 211 CD GLU A 15 -0.784 -6.969 6.618 1.00 42.12 C ATOM 212 OE1 GLU A 15 -1.291 -6.690 7.728 1.00 34.50 O ATOM 213 OE2 GLU A 15 -1.390 -7.647 5.757 1.00 63.55 O ATOM 0 H GLU A 15 3.319 -9.111 6.421 1.00 3.24 H new ATOM 0 HA GLU A 15 2.936 -6.512 5.427 1.00 3.03 H new ATOM 0 HB2 GLU A 15 1.489 -8.370 6.930 1.00 32.31 H new ATOM 0 HB3 GLU A 15 1.734 -7.059 8.066 1.00 32.31 H new ATOM 0 HG2 GLU A 15 0.729 -5.447 6.587 1.00 2.20 H new ATOM 0 HG3 GLU A 15 0.792 -6.546 5.223 1.00 2.20 H new ATOM 218 N ASP A 16 4.637 -6.745 8.220 1.00 1.13 N ATOM 219 CA ASP A 16 5.482 -6.085 9.192 1.00 60.43 C ATOM 220 C ASP A 16 6.573 -5.270 8.495 1.00 60.12 C ATOM 221 O ASP A 16 6.835 -4.145 8.910 1.00 61.23 O ATOM 222 CB ASP A 16 6.099 -7.150 10.106 1.00 0.42 C ATOM 223 CG ASP A 16 6.954 -6.562 11.224 1.00 52.13 C ATOM 224 OD1 ASP A 16 6.374 -5.842 12.067 1.00 11.33 O ATOM 225 OD2 ASP A 16 8.157 -6.890 11.298 1.00 71.55 O ATOM 0 H ASP A 16 4.653 -7.761 8.306 1.00 1.13 H new ATOM 0 HA ASP A 16 4.886 -5.393 9.787 1.00 60.43 H new ATOM 0 HB2 ASP A 16 5.301 -7.749 10.545 1.00 0.42 H new ATOM 0 HB3 ASP A 16 6.711 -7.824 9.506 1.00 0.42 H new ATOM 229 N ASP A 17 7.123 -5.778 7.384 1.00 72.41 N ATOM 230 CA ASP A 17 8.122 -5.092 6.560 1.00 32.32 C ATOM 231 C ASP A 17 7.559 -3.792 5.988 1.00 35.53 C ATOM 232 O ASP A 17 8.296 -2.815 5.840 1.00 73.33 O ATOM 233 CB ASP A 17 8.564 -5.938 5.348 1.00 31.44 C ATOM 234 CG ASP A 17 9.638 -6.975 5.633 1.00 2.13 C ATOM 235 OD1 ASP A 17 10.824 -6.587 5.539 1.00 40.35 O ATOM 236 OD2 ASP A 17 9.281 -8.165 5.831 1.00 51.15 O ATOM 0 H ASP A 17 6.878 -6.701 7.026 1.00 72.41 H new ATOM 0 HA ASP A 17 8.968 -4.909 7.222 1.00 32.32 H new ATOM 0 HB2 ASP A 17 7.689 -6.447 4.944 1.00 31.44 H new ATOM 0 HB3 ASP A 17 8.929 -5.266 4.571 1.00 31.44 H new ATOM 240 N ILE A 18 6.279 -3.788 5.595 1.00 4.03 N ATOM 241 CA ILE A 18 5.629 -2.594 5.059 1.00 22.34 C ATOM 242 C ILE A 18 5.487 -1.607 6.213 1.00 20.42 C ATOM 243 O ILE A 18 5.906 -0.455 6.119 1.00 35.14 O ATOM 244 CB ILE A 18 4.246 -2.898 4.421 1.00 22.40 C ATOM 245 CG1 ILE A 18 4.258 -4.106 3.463 1.00 53.04 C ATOM 246 CG2 ILE A 18 3.730 -1.666 3.644 1.00 20.53 C ATOM 247 CD1 ILE A 18 2.851 -4.495 3.010 1.00 51.11 C ATOM 0 H ILE A 18 5.672 -4.607 5.640 1.00 4.03 H new ATOM 0 HA ILE A 18 6.237 -2.181 4.254 1.00 22.34 H new ATOM 0 HB ILE A 18 3.587 -3.143 5.254 1.00 22.40 H new ATOM 0 HG12 ILE A 18 4.867 -3.870 2.590 1.00 53.04 H new ATOM 0 HG13 ILE A 18 4.727 -4.956 3.958 1.00 53.04 H new ATOM 0 HG21 ILE A 18 2.760 -1.894 3.203 1.00 20.53 H new ATOM 0 HG22 ILE A 18 3.629 -0.822 4.326 1.00 20.53 H new ATOM 0 HG23 ILE A 18 4.437 -1.411 2.854 1.00 20.53 H new ATOM 0 HD11 ILE A 18 2.909 -5.350 2.337 1.00 51.11 H new ATOM 0 HD12 ILE A 18 2.248 -4.758 3.879 1.00 51.11 H new ATOM 0 HD13 ILE A 18 2.391 -3.655 2.490 1.00 51.11 H new ATOM 258 N ARG A 19 4.895 -2.080 7.309 1.00 53.42 N ATOM 259 CA ARG A 19 4.578 -1.293 8.494 1.00 23.30 C ATOM 260 C ARG A 19 5.856 -0.650 9.046 1.00 23.33 C ATOM 261 O ARG A 19 5.830 0.515 9.432 1.00 11.04 O ATOM 262 CB ARG A 19 3.865 -2.208 9.496 1.00 74.33 C ATOM 263 CG ARG A 19 2.487 -2.644 8.965 1.00 33.11 C ATOM 264 CD ARG A 19 2.000 -3.956 9.575 1.00 43.03 C ATOM 265 NE ARG A 19 1.307 -3.742 10.856 1.00 62.14 N ATOM 266 CZ ARG A 19 0.000 -3.938 11.083 1.00 55.21 C ATOM 267 NH1 ARG A 19 -0.771 -4.592 10.213 1.00 52.25 N ATOM 268 NH2 ARG A 19 -0.558 -3.468 12.192 1.00 74.15 N ATOM 0 H ARG A 19 4.614 -3.057 7.397 1.00 53.42 H new ATOM 0 HA ARG A 19 3.904 -0.468 8.263 1.00 23.30 H new ATOM 0 HB2 ARG A 19 4.478 -3.088 9.690 1.00 74.33 H new ATOM 0 HB3 ARG A 19 3.744 -1.688 10.446 1.00 74.33 H new ATOM 0 HG2 ARG A 19 1.759 -1.860 9.174 1.00 33.11 H new ATOM 0 HG3 ARG A 19 2.539 -2.751 7.881 1.00 33.11 H new ATOM 0 HD2 ARG A 19 1.327 -4.453 8.877 1.00 43.03 H new ATOM 0 HD3 ARG A 19 2.849 -4.622 9.728 1.00 43.03 H new ATOM 0 HE ARG A 19 1.871 -3.416 11.641 1.00 62.14 H new ATOM 0 HH11 ARG A 19 -0.369 -4.957 9.350 1.00 52.25 H new ATOM 0 HH12 ARG A 19 -1.762 -4.727 10.411 1.00 52.25 H new ATOM 0 HH21 ARG A 19 0.007 -2.958 12.871 1.00 74.15 H new ATOM 0 HH22 ARG A 19 -1.552 -3.617 12.365 1.00 74.15 H new ATOM 279 N GLY A 20 6.984 -1.363 8.999 1.00 1.23 N ATOM 280 CA GLY A 20 8.290 -0.887 9.418 1.00 60.23 C ATOM 281 C GLY A 20 8.774 0.274 8.559 1.00 61.35 C ATOM 282 O GLY A 20 9.150 1.304 9.118 1.00 64.11 O ATOM 0 H GLY A 20 7.006 -2.323 8.654 1.00 1.23 H new ATOM 0 HA2 GLY A 20 8.244 -0.573 10.461 1.00 60.23 H new ATOM 0 HA3 GLY A 20 9.009 -1.704 9.362 1.00 60.23 H new ATOM 286 N GLN A 21 8.726 0.145 7.222 1.00 22.14 N ATOM 287 CA GLN A 21 9.125 1.214 6.308 1.00 13.00 C ATOM 288 C GLN A 21 8.277 2.446 6.599 1.00 63.54 C ATOM 289 O GLN A 21 8.795 3.551 6.729 1.00 54.42 O ATOM 290 CB GLN A 21 8.931 0.789 4.836 1.00 31.24 C ATOM 291 CG GLN A 21 10.096 -0.016 4.234 1.00 1.10 C ATOM 292 CD GLN A 21 10.882 0.758 3.168 1.00 12.41 C ATOM 293 OE1 GLN A 21 11.038 0.314 2.035 1.00 24.43 O ATOM 294 NE2 GLN A 21 11.366 1.946 3.478 1.00 23.50 N ATOM 0 H GLN A 21 8.410 -0.703 6.752 1.00 22.14 H new ATOM 0 HA GLN A 21 10.182 1.433 6.460 1.00 13.00 H new ATOM 0 HB2 GLN A 21 8.021 0.194 4.762 1.00 31.24 H new ATOM 0 HB3 GLN A 21 8.777 1.683 4.232 1.00 31.24 H new ATOM 0 HG2 GLN A 21 10.776 -0.311 5.033 1.00 1.10 H new ATOM 0 HG3 GLN A 21 9.705 -0.933 3.793 1.00 1.10 H new ATOM 0 HE21 GLN A 21 11.239 2.319 4.419 1.00 23.50 H new ATOM 0 HE22 GLN A 21 11.867 2.491 2.777 1.00 23.50 H new ATOM 301 N LEU A 22 6.963 2.256 6.695 1.00 20.43 N ATOM 302 CA LEU A 22 6.020 3.338 6.909 1.00 42.24 C ATOM 303 C LEU A 22 6.395 4.079 8.182 1.00 71.32 C ATOM 304 O LEU A 22 6.666 5.282 8.135 1.00 51.02 O ATOM 305 CB LEU A 22 4.584 2.794 6.940 1.00 51.12 C ATOM 306 CG LEU A 22 4.197 2.215 5.570 1.00 24.51 C ATOM 307 CD1 LEU A 22 3.036 1.241 5.684 1.00 0.14 C ATOM 308 CD2 LEU A 22 3.772 3.325 4.630 1.00 31.31 C ATOM 0 H LEU A 22 6.525 1.338 6.625 1.00 20.43 H new ATOM 0 HA LEU A 22 6.065 4.049 6.084 1.00 42.24 H new ATOM 0 HB2 LEU A 22 4.498 2.022 7.705 1.00 51.12 H new ATOM 0 HB3 LEU A 22 3.893 3.591 7.213 1.00 51.12 H new ATOM 0 HG LEU A 22 5.075 1.696 5.186 1.00 24.51 H new ATOM 0 HD11 LEU A 22 2.790 0.851 4.696 1.00 0.14 H new ATOM 0 HD12 LEU A 22 3.316 0.417 6.340 1.00 0.14 H new ATOM 0 HD13 LEU A 22 2.169 1.755 6.098 1.00 0.14 H new ATOM 0 HD21 LEU A 22 3.501 2.900 3.664 1.00 31.31 H new ATOM 0 HD22 LEU A 22 2.913 3.848 5.050 1.00 31.31 H new ATOM 0 HD23 LEU A 22 4.596 4.026 4.499 1.00 31.31 H new ATOM 319 N GLN A 23 6.474 3.360 9.299 1.00 4.24 N ATOM 320 CA GLN A 23 6.736 3.974 10.587 1.00 61.55 C ATOM 321 C GLN A 23 8.104 4.651 10.635 1.00 12.02 C ATOM 322 O GLN A 23 8.257 5.678 11.302 1.00 32.14 O ATOM 323 CB GLN A 23 6.581 2.936 11.697 1.00 54.14 C ATOM 324 CG GLN A 23 5.107 2.604 11.984 1.00 42.21 C ATOM 325 CD GLN A 23 4.982 1.533 13.066 1.00 11.04 C ATOM 326 OE1 GLN A 23 5.783 1.477 14.007 1.00 0.44 O ATOM 327 NE2 GLN A 23 4.002 0.655 12.983 1.00 31.14 N ATOM 0 H GLN A 23 6.359 2.347 9.332 1.00 4.24 H new ATOM 0 HA GLN A 23 6.001 4.764 10.742 1.00 61.55 H new ATOM 0 HB2 GLN A 23 7.108 2.025 11.415 1.00 54.14 H new ATOM 0 HB3 GLN A 23 7.051 3.308 12.607 1.00 54.14 H new ATOM 0 HG2 GLN A 23 4.583 3.506 12.300 1.00 42.21 H new ATOM 0 HG3 GLN A 23 4.625 2.259 11.070 1.00 42.21 H new ATOM 0 HE21 GLN A 23 3.341 0.700 12.207 1.00 31.14 H new ATOM 0 HE22 GLN A 23 3.905 -0.070 13.694 1.00 31.14 H new ATOM 334 N SER A 24 9.083 4.143 9.888 1.00 32.41 N ATOM 335 CA SER A 24 10.386 4.760 9.753 1.00 63.31 C ATOM 336 C SER A 24 10.283 6.138 9.113 1.00 3.32 C ATOM 337 O SER A 24 10.894 7.074 9.630 1.00 15.21 O ATOM 338 CB SER A 24 11.273 3.830 8.938 1.00 63.45 C ATOM 339 OG SER A 24 11.760 2.811 9.792 1.00 13.41 O ATOM 0 H SER A 24 8.984 3.279 9.355 1.00 32.41 H new ATOM 0 HA SER A 24 10.826 4.911 10.739 1.00 63.31 H new ATOM 0 HB2 SER A 24 10.709 3.395 8.113 1.00 63.45 H new ATOM 0 HB3 SER A 24 12.102 4.385 8.500 1.00 63.45 H new ATOM 0 HG SER A 24 11.119 2.070 9.816 1.00 13.41 H new ATOM 344 N HIS A 25 9.484 6.310 8.059 1.00 41.22 N ATOM 345 CA HIS A 25 9.261 7.632 7.479 1.00 31.34 C ATOM 346 C HIS A 25 8.306 8.501 8.315 1.00 75.13 C ATOM 347 O HIS A 25 8.168 9.694 8.031 1.00 23.13 O ATOM 348 CB HIS A 25 8.712 7.508 6.062 1.00 62.35 C ATOM 349 CG HIS A 25 9.538 6.691 5.109 1.00 24.23 C ATOM 350 ND1 HIS A 25 10.710 7.056 4.489 1.00 21.50 N ATOM 351 CD2 HIS A 25 9.171 5.482 4.608 1.00 74.33 C ATOM 352 CE1 HIS A 25 11.048 6.065 3.645 1.00 22.43 C ATOM 353 NE2 HIS A 25 10.106 5.103 3.644 1.00 11.21 N ATOM 0 H HIS A 25 8.983 5.554 7.593 1.00 41.22 H new ATOM 0 HA HIS A 25 10.232 8.126 7.466 1.00 31.34 H new ATOM 0 HB2 HIS A 25 7.715 7.071 6.116 1.00 62.35 H new ATOM 0 HB3 HIS A 25 8.598 8.510 5.648 1.00 62.35 H new ATOM 0 HD2 HIS A 25 8.303 4.912 4.905 1.00 74.33 H new ATOM 0 HE1 HIS A 25 11.950 6.044 3.051 1.00 22.43 H new ATOM 0 HE2 HIS A 25 10.081 4.268 3.059 1.00 11.21 H new ATOM 360 N GLY A 26 7.635 7.951 9.332 1.00 0.44 N ATOM 361 CA GLY A 26 6.687 8.683 10.172 1.00 54.23 C ATOM 362 C GLY A 26 5.239 8.458 9.733 1.00 4.04 C ATOM 363 O GLY A 26 4.374 9.311 9.953 1.00 34.14 O ATOM 0 H GLY A 26 7.738 6.971 9.597 1.00 0.44 H new ATOM 0 HA2 GLY A 26 6.804 8.369 11.209 1.00 54.23 H new ATOM 0 HA3 GLY A 26 6.916 9.748 10.134 1.00 54.23 H new ATOM 367 N VAL A 27 4.963 7.345 9.060 1.00 11.12 N ATOM 368 CA VAL A 27 3.684 7.018 8.466 1.00 52.12 C ATOM 369 C VAL A 27 3.075 5.854 9.245 1.00 71.52 C ATOM 370 O VAL A 27 3.727 4.849 9.507 1.00 13.44 O ATOM 371 CB VAL A 27 3.892 6.684 6.982 1.00 53.21 C ATOM 372 CG1 VAL A 27 2.567 6.308 6.346 1.00 62.11 C ATOM 373 CG2 VAL A 27 4.567 7.817 6.190 1.00 31.20 C ATOM 0 H VAL A 27 5.662 6.617 8.911 1.00 11.12 H new ATOM 0 HA VAL A 27 2.992 7.859 8.518 1.00 52.12 H new ATOM 0 HB VAL A 27 4.576 5.836 6.943 1.00 53.21 H new ATOM 0 HG11 VAL A 27 2.723 6.072 5.293 1.00 62.11 H new ATOM 0 HG12 VAL A 27 2.153 5.438 6.855 1.00 62.11 H new ATOM 0 HG13 VAL A 27 1.872 7.143 6.432 1.00 62.11 H new ATOM 0 HG21 VAL A 27 4.683 7.514 5.149 1.00 31.20 H new ATOM 0 HG22 VAL A 27 3.950 8.714 6.240 1.00 31.20 H new ATOM 0 HG23 VAL A 27 5.547 8.027 6.619 1.00 31.20 H new ATOM 383 N GLN A 28 1.793 5.985 9.570 1.00 2.11 N ATOM 384 CA GLN A 28 1.090 5.067 10.452 1.00 55.35 C ATOM 385 C GLN A 28 0.754 3.745 9.767 1.00 74.54 C ATOM 386 O GLN A 28 0.999 2.689 10.342 1.00 33.13 O ATOM 387 CB GLN A 28 -0.155 5.747 11.051 1.00 2.30 C ATOM 388 CG GLN A 28 -1.315 6.181 10.126 1.00 71.23 C ATOM 389 CD GLN A 28 -0.981 7.164 8.996 1.00 2.33 C ATOM 390 OE1 GLN A 28 -1.466 7.010 7.876 1.00 32.32 O ATOM 391 NE2 GLN A 28 -0.166 8.186 9.233 1.00 23.42 N ATOM 0 H GLN A 28 1.207 6.744 9.222 1.00 2.11 H new ATOM 0 HA GLN A 28 1.761 4.812 11.272 1.00 55.35 H new ATOM 0 HB2 GLN A 28 -0.570 5.067 11.795 1.00 2.30 H new ATOM 0 HB3 GLN A 28 0.185 6.635 11.584 1.00 2.30 H new ATOM 0 HG2 GLN A 28 -1.743 5.284 9.678 1.00 71.23 H new ATOM 0 HG3 GLN A 28 -2.091 6.630 10.746 1.00 71.23 H new ATOM 0 HE21 GLN A 28 0.236 8.313 10.162 1.00 23.42 H new ATOM 0 HE22 GLN A 28 0.058 8.844 8.486 1.00 23.42 H new ATOM 398 N ALA A 29 0.225 3.809 8.537 1.00 64.22 N ATOM 399 CA ALA A 29 -0.580 2.763 7.910 1.00 62.21 C ATOM 400 C ALA A 29 -1.880 2.557 8.702 1.00 75.31 C ATOM 401 O ALA A 29 -1.857 2.094 9.837 1.00 22.22 O ATOM 402 CB ALA A 29 0.201 1.458 7.720 1.00 35.12 C ATOM 0 H ALA A 29 0.353 4.621 7.934 1.00 64.22 H new ATOM 0 HA ALA A 29 -0.842 3.093 6.905 1.00 62.21 H new ATOM 0 HB1 ALA A 29 -0.442 0.714 7.251 1.00 35.12 H new ATOM 0 HB2 ALA A 29 1.067 1.642 7.084 1.00 35.12 H new ATOM 0 HB3 ALA A 29 0.535 1.089 8.690 1.00 35.12 H new ATOM 408 N ARG A 30 -3.028 2.934 8.131 1.00 3.21 N ATOM 409 CA ARG A 30 -4.318 2.707 8.786 1.00 31.20 C ATOM 410 C ARG A 30 -4.629 1.215 8.817 1.00 62.24 C ATOM 411 O ARG A 30 -5.207 0.716 9.783 1.00 72.35 O ATOM 412 CB ARG A 30 -5.446 3.451 8.045 1.00 21.51 C ATOM 413 CG ARG A 30 -6.773 3.342 8.808 1.00 51.11 C ATOM 414 CD ARG A 30 -7.980 3.917 8.068 1.00 43.21 C ATOM 415 NE ARG A 30 -9.228 3.399 8.667 1.00 2.40 N ATOM 416 CZ ARG A 30 -10.298 2.916 8.024 1.00 74.41 C ATOM 417 NH1 ARG A 30 -10.331 2.872 6.704 1.00 13.40 N ATOM 418 NH2 ARG A 30 -11.351 2.470 8.705 1.00 55.31 N ATOM 0 H ARG A 30 -3.090 3.395 7.223 1.00 3.21 H new ATOM 0 HA ARG A 30 -4.256 3.090 9.805 1.00 31.20 H new ATOM 0 HB2 ARG A 30 -5.177 4.500 7.926 1.00 21.51 H new ATOM 0 HB3 ARG A 30 -5.563 3.036 7.044 1.00 21.51 H new ATOM 0 HG2 ARG A 30 -6.965 2.292 9.029 1.00 51.11 H new ATOM 0 HG3 ARG A 30 -6.671 3.855 9.764 1.00 51.11 H new ATOM 0 HD2 ARG A 30 -7.965 5.006 8.120 1.00 43.21 H new ATOM 0 HD3 ARG A 30 -7.933 3.648 7.013 1.00 43.21 H new ATOM 0 HE ARG A 30 -9.280 3.411 9.686 1.00 2.40 H new ATOM 0 HH11 ARG A 30 -9.535 3.209 6.162 1.00 13.40 H new ATOM 0 HH12 ARG A 30 -11.153 2.501 6.226 1.00 13.40 H new ATOM 0 HH21 ARG A 30 -11.347 2.495 9.725 1.00 55.31 H new ATOM 0 HH22 ARG A 30 -12.162 2.104 8.207 1.00 55.31 H new ATOM 429 N GLU A 31 -4.365 0.536 7.708 1.00 33.52 N ATOM 430 CA GLU A 31 -4.784 -0.824 7.427 1.00 71.12 C ATOM 431 C GLU A 31 -3.794 -1.356 6.395 1.00 60.35 C ATOM 432 O GLU A 31 -3.135 -0.564 5.720 1.00 44.01 O ATOM 433 CB GLU A 31 -6.201 -0.767 6.833 1.00 40.03 C ATOM 434 CG GLU A 31 -6.950 -2.097 6.768 1.00 64.35 C ATOM 435 CD GLU A 31 -7.263 -2.689 8.140 1.00 73.23 C ATOM 436 OE1 GLU A 31 -6.331 -3.225 8.776 1.00 31.22 O ATOM 437 OE2 GLU A 31 -8.455 -2.815 8.503 1.00 71.13 O ATOM 0 H GLU A 31 -3.825 0.943 6.944 1.00 33.52 H new ATOM 0 HA GLU A 31 -4.800 -1.461 8.311 1.00 71.12 H new ATOM 0 HB2 GLU A 31 -6.793 -0.067 7.422 1.00 40.03 H new ATOM 0 HB3 GLU A 31 -6.135 -0.359 5.824 1.00 40.03 H new ATOM 0 HG2 GLU A 31 -7.882 -1.953 6.222 1.00 64.35 H new ATOM 0 HG3 GLU A 31 -6.355 -2.812 6.200 1.00 64.35 H new ATOM 442 N VAL A 32 -3.693 -2.670 6.214 1.00 31.41 N ATOM 443 CA VAL A 32 -2.856 -3.260 5.174 1.00 3.41 C ATOM 444 C VAL A 32 -3.248 -4.727 4.954 1.00 22.11 C ATOM 445 O VAL A 32 -3.857 -5.371 5.813 1.00 61.32 O ATOM 446 CB VAL A 32 -1.349 -2.986 5.451 1.00 3.01 C ATOM 447 CG1 VAL A 32 -0.959 -3.220 6.915 1.00 33.34 C ATOM 448 CG2 VAL A 32 -0.396 -3.688 4.475 1.00 22.54 C ATOM 0 H VAL A 32 -4.189 -3.355 6.784 1.00 31.41 H new ATOM 0 HA VAL A 32 -3.035 -2.777 4.213 1.00 3.41 H new ATOM 0 HB VAL A 32 -1.224 -1.920 5.260 1.00 3.01 H new ATOM 0 HG11 VAL A 32 0.103 -3.013 7.046 1.00 33.34 H new ATOM 0 HG12 VAL A 32 -1.540 -2.557 7.557 1.00 33.34 H new ATOM 0 HG13 VAL A 32 -1.163 -4.256 7.185 1.00 33.34 H new ATOM 0 HG21 VAL A 32 0.634 -3.446 4.736 1.00 22.54 H new ATOM 0 HG22 VAL A 32 -0.542 -4.766 4.536 1.00 22.54 H new ATOM 0 HG23 VAL A 32 -0.602 -3.351 3.459 1.00 22.54 H new ATOM 458 N ARG A 33 -2.971 -5.228 3.748 1.00 73.14 N ATOM 459 CA ARG A 33 -3.361 -6.533 3.233 1.00 62.52 C ATOM 460 C ARG A 33 -2.186 -7.059 2.408 1.00 23.44 C ATOM 461 O ARG A 33 -2.007 -6.631 1.263 1.00 54.11 O ATOM 462 CB ARG A 33 -4.662 -6.389 2.409 1.00 53.43 C ATOM 463 CG ARG A 33 -5.880 -5.802 3.155 1.00 53.04 C ATOM 464 CD ARG A 33 -6.518 -6.753 4.183 1.00 23.20 C ATOM 465 NE ARG A 33 -7.295 -6.023 5.199 1.00 44.41 N ATOM 466 CZ ARG A 33 -8.473 -5.408 5.041 1.00 55.03 C ATOM 467 NH1 ARG A 33 -9.176 -5.534 3.919 1.00 15.34 N ATOM 468 NH2 ARG A 33 -8.938 -4.638 6.016 1.00 13.42 N ATOM 0 H ARG A 33 -2.433 -4.695 3.065 1.00 73.14 H new ATOM 0 HA ARG A 33 -3.577 -7.247 4.028 1.00 62.52 H new ATOM 0 HB2 ARG A 33 -4.452 -5.758 1.545 1.00 53.43 H new ATOM 0 HB3 ARG A 33 -4.936 -7.372 2.026 1.00 53.43 H new ATOM 0 HG2 ARG A 33 -5.572 -4.889 3.665 1.00 53.04 H new ATOM 0 HG3 ARG A 33 -6.636 -5.518 2.423 1.00 53.04 H new ATOM 0 HD2 ARG A 33 -7.168 -7.461 3.668 1.00 23.20 H new ATOM 0 HD3 ARG A 33 -5.737 -7.335 4.672 1.00 23.20 H new ATOM 0 HE ARG A 33 -6.887 -5.981 6.133 1.00 44.41 H new ATOM 0 HH11 ARG A 33 -8.820 -6.109 3.156 1.00 15.34 H new ATOM 0 HH12 ARG A 33 -10.072 -5.055 3.822 1.00 15.34 H new ATOM 0 HH21 ARG A 33 -8.399 -4.520 6.874 1.00 13.42 H new ATOM 0 HH22 ARG A 33 -9.835 -4.164 5.908 1.00 13.42 H new ATOM 479 N LEU A 34 -1.366 -7.947 2.975 1.00 54.05 N ATOM 480 CA LEU A 34 -0.248 -8.627 2.314 1.00 20.30 C ATOM 481 C LEU A 34 -0.377 -10.147 2.583 1.00 52.21 C ATOM 482 O LEU A 34 -1.474 -10.663 2.805 1.00 42.23 O ATOM 483 CB LEU A 34 1.084 -8.038 2.821 1.00 20.21 C ATOM 484 CG LEU A 34 2.267 -8.037 1.824 1.00 20.43 C ATOM 485 CD1 LEU A 34 3.575 -8.057 2.607 1.00 24.53 C ATOM 486 CD2 LEU A 34 2.366 -9.141 0.771 1.00 22.12 C ATOM 0 H LEU A 34 -1.467 -8.225 3.951 1.00 54.05 H new ATOM 0 HA LEU A 34 -0.268 -8.474 1.235 1.00 20.30 H new ATOM 0 HB2 LEU A 34 0.904 -7.010 3.136 1.00 20.21 H new ATOM 0 HB3 LEU A 34 1.387 -8.595 3.708 1.00 20.21 H new ATOM 0 HG LEU A 34 2.073 -7.133 1.247 1.00 20.43 H new ATOM 0 HD11 LEU A 34 4.415 -8.056 1.912 1.00 24.53 H new ATOM 0 HD12 LEU A 34 3.631 -7.175 3.245 1.00 24.53 H new ATOM 0 HD13 LEU A 34 3.616 -8.954 3.225 1.00 24.53 H new ATOM 0 HD21 LEU A 34 3.255 -8.983 0.160 1.00 22.12 H new ATOM 0 HD22 LEU A 34 2.433 -10.110 1.265 1.00 22.12 H new ATOM 0 HD23 LEU A 34 1.481 -9.118 0.136 1.00 22.12 H new ATOM 616 N ARG A 44 0.434 -12.380 -3.742 1.00 42.42 N ATOM 617 CA ARG A 44 0.876 -12.653 -5.117 1.00 0.11 C ATOM 618 C ARG A 44 2.185 -11.947 -5.515 1.00 61.22 C ATOM 619 O ARG A 44 2.536 -11.956 -6.699 1.00 20.31 O ATOM 620 CB ARG A 44 -0.277 -12.320 -6.092 1.00 64.15 C ATOM 621 CG ARG A 44 -0.923 -13.584 -6.683 1.00 32.12 C ATOM 622 CD ARG A 44 -0.057 -14.170 -7.804 1.00 20.14 C ATOM 623 NE ARG A 44 -0.740 -15.206 -8.597 1.00 51.13 N ATOM 624 CZ ARG A 44 -0.210 -15.803 -9.674 1.00 32.22 C ATOM 625 NH1 ARG A 44 1.037 -15.524 -10.043 1.00 23.50 N ATOM 626 NH2 ARG A 44 -0.923 -16.660 -10.399 1.00 2.30 N ATOM 0 HA ARG A 44 1.118 -13.714 -5.174 1.00 0.11 H new ATOM 0 HB2 ARG A 44 -1.035 -11.737 -5.569 1.00 64.15 H new ATOM 0 HB3 ARG A 44 0.103 -11.696 -6.901 1.00 64.15 H new ATOM 0 HG2 ARG A 44 -1.060 -14.328 -5.898 1.00 32.12 H new ATOM 0 HG3 ARG A 44 -1.913 -13.344 -7.071 1.00 32.12 H new ATOM 0 HD2 ARG A 44 0.257 -13.364 -8.468 1.00 20.14 H new ATOM 0 HD3 ARG A 44 0.847 -14.595 -7.369 1.00 20.14 H new ATOM 0 HE ARG A 44 -1.677 -15.488 -8.308 1.00 51.13 H new ATOM 0 HH11 ARG A 44 1.590 -14.856 -9.507 1.00 23.50 H new ATOM 0 HH12 ARG A 44 1.440 -15.978 -10.862 1.00 23.50 H new ATOM 0 HH21 ARG A 44 -1.886 -16.871 -10.138 1.00 2.30 H new ATOM 0 HH22 ARG A 44 -0.507 -17.107 -11.216 1.00 2.30 H new ATOM 637 N GLY A 45 2.912 -11.327 -4.581 1.00 60.15 N ATOM 638 CA GLY A 45 4.113 -10.539 -4.843 1.00 52.43 C ATOM 639 C GLY A 45 3.819 -9.043 -4.853 1.00 40.35 C ATOM 640 O GLY A 45 4.548 -8.290 -5.497 1.00 55.22 O ATOM 0 H GLY A 45 2.670 -11.363 -3.591 1.00 60.15 H new ATOM 0 HA2 GLY A 45 4.863 -10.757 -4.083 1.00 52.43 H new ATOM 0 HA3 GLY A 45 4.538 -10.832 -5.803 1.00 52.43 H new ATOM 644 N PHE A 46 2.764 -8.608 -4.155 1.00 35.41 N ATOM 645 CA PHE A 46 2.415 -7.207 -3.928 1.00 72.45 C ATOM 646 C PHE A 46 1.540 -7.065 -2.676 1.00 21.41 C ATOM 647 O PHE A 46 1.152 -8.069 -2.073 1.00 35.33 O ATOM 648 CB PHE A 46 1.745 -6.621 -5.179 1.00 35.50 C ATOM 649 CG PHE A 46 0.631 -7.443 -5.774 1.00 63.13 C ATOM 650 CD1 PHE A 46 -0.688 -7.297 -5.316 1.00 34.14 C ATOM 651 CD2 PHE A 46 0.923 -8.327 -6.828 1.00 63.34 C ATOM 652 CE1 PHE A 46 -1.709 -8.082 -5.874 1.00 41.02 C ATOM 653 CE2 PHE A 46 -0.105 -9.097 -7.398 1.00 54.23 C ATOM 654 CZ PHE A 46 -1.418 -8.989 -6.906 1.00 72.34 C ATOM 0 H PHE A 46 2.105 -9.251 -3.716 1.00 35.41 H new ATOM 0 HA PHE A 46 3.324 -6.634 -3.746 1.00 72.45 H new ATOM 0 HB2 PHE A 46 1.350 -5.636 -4.929 1.00 35.50 H new ATOM 0 HB3 PHE A 46 2.509 -6.474 -5.942 1.00 35.50 H new ATOM 0 HD1 PHE A 46 -0.916 -6.584 -4.538 1.00 34.14 H new ATOM 0 HD2 PHE A 46 1.934 -8.414 -7.198 1.00 63.34 H new ATOM 0 HE1 PHE A 46 -2.721 -7.988 -5.509 1.00 41.02 H new ATOM 0 HE2 PHE A 46 0.113 -9.771 -8.213 1.00 54.23 H new ATOM 0 HZ PHE A 46 -2.203 -9.604 -7.322 1.00 72.34 H new ATOM 663 N ALA A 47 1.212 -5.834 -2.282 1.00 44.03 N ATOM 664 CA ALA A 47 0.438 -5.472 -1.104 1.00 31.22 C ATOM 665 C ALA A 47 -0.597 -4.405 -1.451 1.00 52.15 C ATOM 666 O ALA A 47 -0.462 -3.709 -2.464 1.00 62.13 O ATOM 667 CB ALA A 47 1.378 -4.872 -0.056 1.00 23.54 C ATOM 0 H ALA A 47 1.501 -5.013 -2.815 1.00 44.03 H new ATOM 0 HA ALA A 47 -0.059 -6.367 -0.730 1.00 31.22 H new ATOM 0 HB1 ALA A 47 0.807 -4.598 0.831 1.00 23.54 H new ATOM 0 HB2 ALA A 47 2.137 -5.606 0.214 1.00 23.54 H new ATOM 0 HB3 ALA A 47 1.861 -3.985 -0.466 1.00 23.54 H new ATOM 673 N PHE A 48 -1.558 -4.215 -0.547 1.00 22.20 N ATOM 674 CA PHE A 48 -2.432 -3.056 -0.485 1.00 72.11 C ATOM 675 C PHE A 48 -2.314 -2.495 0.924 1.00 3.13 C ATOM 676 O PHE A 48 -2.791 -3.125 1.865 1.00 74.13 O ATOM 677 CB PHE A 48 -3.890 -3.417 -0.840 1.00 54.02 C ATOM 678 CG PHE A 48 -4.202 -3.489 -2.328 1.00 61.32 C ATOM 679 CD1 PHE A 48 -3.567 -4.434 -3.159 1.00 22.53 C ATOM 680 CD2 PHE A 48 -5.082 -2.551 -2.906 1.00 35.24 C ATOM 681 CE1 PHE A 48 -3.768 -4.414 -4.549 1.00 24.20 C ATOM 682 CE2 PHE A 48 -5.272 -2.524 -4.299 1.00 72.41 C ATOM 683 CZ PHE A 48 -4.610 -3.450 -5.124 1.00 35.23 C ATOM 0 H PHE A 48 -1.752 -4.894 0.189 1.00 22.20 H new ATOM 0 HA PHE A 48 -2.133 -2.310 -1.221 1.00 72.11 H new ATOM 0 HB2 PHE A 48 -4.128 -4.381 -0.389 1.00 54.02 H new ATOM 0 HB3 PHE A 48 -4.550 -2.680 -0.383 1.00 54.02 H new ATOM 0 HD1 PHE A 48 -2.920 -5.181 -2.723 1.00 22.53 H new ATOM 0 HD2 PHE A 48 -5.612 -1.851 -2.277 1.00 35.24 H new ATOM 0 HE1 PHE A 48 -3.274 -5.141 -5.176 1.00 24.20 H new ATOM 0 HE2 PHE A 48 -5.930 -1.788 -4.737 1.00 72.41 H new ATOM 0 HZ PHE A 48 -4.749 -3.420 -6.195 1.00 35.23 H new ATOM 692 N VAL A 49 -1.635 -1.360 1.084 1.00 20.42 N ATOM 693 CA VAL A 49 -1.674 -0.580 2.325 1.00 13.42 C ATOM 694 C VAL A 49 -2.834 0.421 2.219 1.00 44.23 C ATOM 695 O VAL A 49 -3.130 0.867 1.110 1.00 31.43 O ATOM 696 CB VAL A 49 -0.301 0.094 2.564 1.00 20.23 C ATOM 697 CG1 VAL A 49 0.198 0.969 1.441 1.00 1.33 C ATOM 698 CG2 VAL A 49 -0.262 0.884 3.874 1.00 4.33 C ATOM 0 H VAL A 49 -1.043 -0.954 0.360 1.00 20.42 H new ATOM 0 HA VAL A 49 -1.855 -1.214 3.193 1.00 13.42 H new ATOM 0 HB VAL A 49 0.381 -0.755 2.619 1.00 20.23 H new ATOM 0 HG11 VAL A 49 1.166 1.391 1.711 1.00 1.33 H new ATOM 0 HG12 VAL A 49 0.302 0.373 0.534 1.00 1.33 H new ATOM 0 HG13 VAL A 49 -0.513 1.776 1.265 1.00 1.33 H new ATOM 0 HG21 VAL A 49 0.722 1.338 3.996 1.00 4.33 H new ATOM 0 HG22 VAL A 49 -1.022 1.665 3.850 1.00 4.33 H new ATOM 0 HG23 VAL A 49 -0.458 0.212 4.710 1.00 4.33 H new ATOM 708 N GLU A 50 -3.484 0.810 3.319 1.00 75.35 N ATOM 709 CA GLU A 50 -4.277 2.020 3.412 1.00 21.22 C ATOM 710 C GLU A 50 -3.571 2.992 4.361 1.00 23.32 C ATOM 711 O GLU A 50 -2.958 2.582 5.349 1.00 42.44 O ATOM 712 CB GLU A 50 -5.662 1.694 3.992 1.00 62.42 C ATOM 713 CG GLU A 50 -6.676 2.717 3.479 1.00 15.20 C ATOM 714 CD GLU A 50 -7.942 2.869 4.333 1.00 55.15 C ATOM 715 OE1 GLU A 50 -8.193 2.032 5.220 1.00 31.32 O ATOM 716 OE2 GLU A 50 -8.706 3.858 4.157 1.00 24.11 O ATOM 0 H GLU A 50 -3.468 0.273 4.186 1.00 75.35 H new ATOM 0 HA GLU A 50 -4.390 2.458 2.420 1.00 21.22 H new ATOM 0 HB2 GLU A 50 -5.964 0.688 3.701 1.00 62.42 H new ATOM 0 HB3 GLU A 50 -5.627 1.714 5.081 1.00 62.42 H new ATOM 0 HG2 GLU A 50 -6.185 3.688 3.410 1.00 15.20 H new ATOM 0 HG3 GLU A 50 -6.971 2.436 2.468 1.00 15.20 H new ATOM 721 N PHE A 51 -3.717 4.285 4.105 1.00 22.10 N ATOM 722 CA PHE A 51 -3.210 5.377 4.908 1.00 55.45 C ATOM 723 C PHE A 51 -4.396 6.058 5.576 1.00 44.15 C ATOM 724 O PHE A 51 -5.502 6.092 5.020 1.00 32.42 O ATOM 725 CB PHE A 51 -2.477 6.373 4.004 1.00 63.44 C ATOM 726 CG PHE A 51 -1.085 5.960 3.576 1.00 14.42 C ATOM 727 CD1 PHE A 51 -0.817 4.722 2.960 1.00 41.13 C ATOM 728 CD2 PHE A 51 -0.031 6.842 3.840 1.00 64.23 C ATOM 729 CE1 PHE A 51 0.510 4.345 2.705 1.00 24.13 C ATOM 730 CE2 PHE A 51 1.289 6.481 3.544 1.00 35.42 C ATOM 731 CZ PHE A 51 1.561 5.219 3.001 1.00 12.24 C ATOM 0 H PHE A 51 -4.223 4.613 3.282 1.00 22.10 H new ATOM 0 HA PHE A 51 -2.514 5.010 5.663 1.00 55.45 H new ATOM 0 HB2 PHE A 51 -3.079 6.538 3.111 1.00 63.44 H new ATOM 0 HB3 PHE A 51 -2.410 7.329 4.524 1.00 63.44 H new ATOM 0 HD1 PHE A 51 -1.630 4.066 2.685 1.00 41.13 H new ATOM 0 HD2 PHE A 51 -0.237 7.809 4.275 1.00 64.23 H new ATOM 0 HE1 PHE A 51 0.721 3.376 2.278 1.00 24.13 H new ATOM 0 HE2 PHE A 51 2.095 7.174 3.734 1.00 35.42 H new ATOM 0 HZ PHE A 51 2.582 4.921 2.811 1.00 12.24 H new ATOM 740 N SER A 52 -4.162 6.643 6.747 1.00 22.44 N ATOM 741 CA SER A 52 -5.163 7.449 7.424 1.00 41.13 C ATOM 742 C SER A 52 -5.323 8.807 6.745 1.00 24.54 C ATOM 743 O SER A 52 -6.390 9.408 6.853 1.00 74.41 O ATOM 744 CB SER A 52 -4.748 7.646 8.887 1.00 60.25 C ATOM 745 OG SER A 52 -4.840 6.418 9.577 1.00 13.01 O ATOM 0 H SER A 52 -3.277 6.570 7.248 1.00 22.44 H new ATOM 0 HA SER A 52 -6.120 6.930 7.376 1.00 41.13 H new ATOM 0 HB2 SER A 52 -3.728 8.027 8.938 1.00 60.25 H new ATOM 0 HB3 SER A 52 -5.390 8.389 9.360 1.00 60.25 H new ATOM 0 HG SER A 52 -4.573 6.547 10.511 1.00 13.01 H new ATOM 750 N HIS A 53 -4.302 9.290 6.034 1.00 55.31 N ATOM 751 CA HIS A 53 -4.285 10.639 5.498 1.00 4.22 C ATOM 752 C HIS A 53 -3.766 10.598 4.071 1.00 14.10 C ATOM 753 O HIS A 53 -2.872 9.816 3.747 1.00 21.11 O ATOM 754 CB HIS A 53 -3.403 11.540 6.372 1.00 13.21 C ATOM 755 CG HIS A 53 -3.586 11.335 7.859 1.00 55.03 C ATOM 756 ND1 HIS A 53 -4.629 11.810 8.619 1.00 11.11 N ATOM 757 CD2 HIS A 53 -2.821 10.540 8.670 1.00 62.13 C ATOM 758 CE1 HIS A 53 -4.469 11.342 9.867 1.00 53.43 C ATOM 759 NE2 HIS A 53 -3.364 10.584 9.957 1.00 23.20 N ATOM 0 H HIS A 53 -3.465 8.749 5.817 1.00 55.31 H new ATOM 0 HA HIS A 53 -5.294 11.051 5.499 1.00 4.22 H new ATOM 0 HB2 HIS A 53 -2.358 11.362 6.118 1.00 13.21 H new ATOM 0 HB3 HIS A 53 -3.617 12.581 6.131 1.00 13.21 H new ATOM 0 HD2 HIS A 53 -1.950 9.977 8.368 1.00 62.13 H new ATOM 0 HE1 HIS A 53 -5.139 11.548 10.689 1.00 53.43 H new ATOM 0 HE2 HIS A 53 -2.996 10.132 10.794 1.00 23.20 H new ATOM 766 N LEU A 54 -4.306 11.478 3.231 1.00 73.33 N ATOM 767 CA LEU A 54 -3.923 11.599 1.829 1.00 13.44 C ATOM 768 C LEU A 54 -2.448 11.983 1.739 1.00 71.41 C ATOM 769 O LEU A 54 -1.660 11.293 1.102 1.00 20.10 O ATOM 770 CB LEU A 54 -4.802 12.667 1.160 1.00 71.22 C ATOM 771 CG LEU A 54 -6.257 12.224 0.919 1.00 24.54 C ATOM 772 CD1 LEU A 54 -7.163 13.453 0.883 1.00 32.13 C ATOM 773 CD2 LEU A 54 -6.389 11.440 -0.390 1.00 53.43 C ATOM 0 H LEU A 54 -5.033 12.136 3.511 1.00 73.33 H new ATOM 0 HA LEU A 54 -4.068 10.649 1.315 1.00 13.44 H new ATOM 0 HB2 LEU A 54 -4.804 13.562 1.782 1.00 71.22 H new ATOM 0 HB3 LEU A 54 -4.355 12.944 0.205 1.00 71.22 H new ATOM 0 HG LEU A 54 -6.557 11.567 1.736 1.00 24.54 H new ATOM 0 HD11 LEU A 54 -8.193 13.141 0.712 1.00 32.13 H new ATOM 0 HD12 LEU A 54 -7.097 13.982 1.834 1.00 32.13 H new ATOM 0 HD13 LEU A 54 -6.846 14.115 0.077 1.00 32.13 H new ATOM 0 HD21 LEU A 54 -7.428 11.141 -0.532 1.00 53.43 H new ATOM 0 HD22 LEU A 54 -6.075 12.068 -1.224 1.00 53.43 H new ATOM 0 HD23 LEU A 54 -5.758 10.552 -0.347 1.00 53.43 H new ATOM 784 N GLN A 55 -2.057 13.069 2.409 1.00 34.32 N ATOM 785 CA GLN A 55 -0.750 13.684 2.213 1.00 0.41 C ATOM 786 C GLN A 55 0.405 12.785 2.667 1.00 63.41 C ATOM 787 O GLN A 55 1.540 12.966 2.219 1.00 74.41 O ATOM 788 CB GLN A 55 -0.736 15.072 2.884 1.00 51.25 C ATOM 789 CG GLN A 55 -0.283 15.149 4.345 1.00 11.32 C ATOM 790 CD GLN A 55 -1.174 14.345 5.278 1.00 71.31 C ATOM 791 OE1 GLN A 55 -2.392 14.499 5.276 1.00 0.21 O ATOM 792 NE2 GLN A 55 -0.591 13.446 6.051 1.00 61.42 N ATOM 0 H GLN A 55 -2.638 13.543 3.100 1.00 34.32 H new ATOM 0 HA GLN A 55 -0.585 13.818 1.144 1.00 0.41 H new ATOM 0 HB2 GLN A 55 -0.088 15.722 2.297 1.00 51.25 H new ATOM 0 HB3 GLN A 55 -1.743 15.485 2.822 1.00 51.25 H new ATOM 0 HG2 GLN A 55 0.741 14.784 4.423 1.00 11.32 H new ATOM 0 HG3 GLN A 55 -0.276 16.191 4.665 1.00 11.32 H new ATOM 0 HE21 GLN A 55 0.423 13.339 6.033 1.00 61.42 H new ATOM 0 HE22 GLN A 55 -1.155 12.859 6.666 1.00 61.42 H new ATOM 799 N ASP A 56 0.136 11.822 3.555 1.00 1.23 N ATOM 800 CA ASP A 56 1.129 10.856 4.012 1.00 1.00 C ATOM 801 C ASP A 56 1.427 9.855 2.897 1.00 3.11 C ATOM 802 O ASP A 56 2.563 9.391 2.800 1.00 13.40 O ATOM 803 CB ASP A 56 0.666 10.092 5.267 1.00 40.21 C ATOM 804 CG ASP A 56 1.012 10.732 6.607 1.00 43.15 C ATOM 805 OD1 ASP A 56 2.014 11.479 6.697 1.00 53.24 O ATOM 806 OD2 ASP A 56 0.263 10.498 7.580 1.00 64.34 O ATOM 0 H ASP A 56 -0.784 11.694 3.977 1.00 1.23 H new ATOM 0 HA ASP A 56 2.028 11.415 4.273 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -0.416 9.969 5.214 1.00 40.21 H new ATOM 0 HB3 ASP A 56 1.102 9.093 5.241 1.00 40.21 H new ATOM 810 N ALA A 57 0.455 9.543 2.029 1.00 72.43 N ATOM 811 CA ALA A 57 0.679 8.641 0.909 1.00 54.42 C ATOM 812 C ALA A 57 1.665 9.326 -0.027 1.00 54.05 C ATOM 813 O ALA A 57 2.688 8.739 -0.369 1.00 0.04 O ATOM 814 CB ALA A 57 -0.628 8.227 0.233 1.00 23.33 C ATOM 0 H ALA A 57 -0.496 9.908 2.088 1.00 72.43 H new ATOM 0 HA ALA A 57 1.106 7.697 1.249 1.00 54.42 H new ATOM 0 HB1 ALA A 57 -0.411 7.554 -0.597 1.00 23.33 H new ATOM 0 HB2 ALA A 57 -1.266 7.718 0.956 1.00 23.33 H new ATOM 0 HB3 ALA A 57 -1.140 9.113 -0.143 1.00 23.33 H new ATOM 820 N THR A 58 1.438 10.602 -0.347 1.00 14.31 N ATOM 821 CA THR A 58 2.342 11.401 -1.152 1.00 61.54 C ATOM 822 C THR A 58 3.720 11.476 -0.498 1.00 44.14 C ATOM 823 O THR A 58 4.740 11.328 -1.175 1.00 21.23 O ATOM 824 CB THR A 58 1.775 12.815 -1.297 1.00 52.11 C ATOM 825 OG1 THR A 58 0.358 12.836 -1.293 1.00 44.35 O ATOM 826 CG2 THR A 58 2.321 13.466 -2.554 1.00 55.14 C ATOM 0 H THR A 58 0.606 11.110 -0.046 1.00 14.31 H new ATOM 0 HA THR A 58 2.443 10.935 -2.132 1.00 61.54 H new ATOM 0 HB THR A 58 2.096 13.387 -0.426 1.00 52.11 H new ATOM 0 HG1 THR A 58 0.021 12.289 -2.033 1.00 44.35 H new ATOM 0 HG21 THR A 58 1.912 14.472 -2.650 1.00 55.14 H new ATOM 0 HG22 THR A 58 3.408 13.520 -2.493 1.00 55.14 H new ATOM 0 HG23 THR A 58 2.035 12.874 -3.424 1.00 55.14 H new ATOM 834 N ARG A 59 3.760 11.678 0.827 1.00 61.11 N ATOM 835 CA ARG A 59 5.008 11.707 1.573 1.00 53.24 C ATOM 836 C ARG A 59 5.757 10.399 1.374 1.00 24.54 C ATOM 837 O ARG A 59 6.982 10.415 1.374 1.00 31.23 O ATOM 838 CB ARG A 59 4.712 12.001 3.052 1.00 32.51 C ATOM 839 CG ARG A 59 5.966 12.197 3.925 1.00 2.23 C ATOM 840 CD ARG A 59 5.809 13.315 4.957 1.00 24.40 C ATOM 841 NE ARG A 59 6.066 14.643 4.379 1.00 15.04 N ATOM 842 CZ ARG A 59 5.610 15.808 4.849 1.00 61.13 C ATOM 843 NH1 ARG A 59 4.653 15.845 5.767 1.00 72.52 N ATOM 844 NH2 ARG A 59 6.114 16.944 4.390 1.00 75.23 N ATOM 0 H ARG A 59 2.929 11.824 1.401 1.00 61.11 H new ATOM 0 HA ARG A 59 5.654 12.504 1.204 1.00 53.24 H new ATOM 0 HB2 ARG A 59 4.096 12.898 3.115 1.00 32.51 H new ATOM 0 HB3 ARG A 59 4.123 11.181 3.462 1.00 32.51 H new ATOM 0 HG2 ARG A 59 6.192 11.264 4.441 1.00 2.23 H new ATOM 0 HG3 ARG A 59 6.818 12.421 3.282 1.00 2.23 H new ATOM 0 HD2 ARG A 59 4.800 13.289 5.369 1.00 24.40 H new ATOM 0 HD3 ARG A 59 6.496 13.142 5.785 1.00 24.40 H new ATOM 0 HE ARG A 59 6.647 14.678 3.541 1.00 15.04 H new ATOM 0 HH11 ARG A 59 4.255 14.976 6.124 1.00 72.52 H new ATOM 0 HH12 ARG A 59 4.315 16.742 6.116 1.00 72.52 H new ATOM 0 HH21 ARG A 59 6.847 16.927 3.681 1.00 75.23 H new ATOM 0 HH22 ARG A 59 5.769 17.836 4.746 1.00 75.23 H new ATOM 855 N TRP A 60 5.077 9.259 1.247 1.00 62.54 N ATOM 856 CA TRP A 60 5.741 7.986 1.008 1.00 43.13 C ATOM 857 C TRP A 60 6.195 7.860 -0.447 1.00 1.03 C ATOM 858 O TRP A 60 7.335 7.447 -0.666 1.00 14.01 O ATOM 859 CB TRP A 60 4.865 6.821 1.492 1.00 42.31 C ATOM 860 CG TRP A 60 5.611 5.561 1.825 1.00 20.34 C ATOM 861 CD1 TRP A 60 6.796 5.524 2.474 1.00 11.21 C ATOM 862 CD2 TRP A 60 5.229 4.157 1.642 1.00 32.10 C ATOM 863 NE1 TRP A 60 7.181 4.221 2.683 1.00 41.13 N ATOM 864 CE2 TRP A 60 6.218 3.336 2.263 1.00 35.22 C ATOM 865 CE3 TRP A 60 4.122 3.489 1.073 1.00 53.11 C ATOM 866 CZ2 TRP A 60 6.088 1.945 2.362 1.00 34.34 C ATOM 867 CZ3 TRP A 60 3.966 2.090 1.179 1.00 3.02 C ATOM 868 CH2 TRP A 60 4.946 1.327 1.834 1.00 13.00 C ATOM 0 H TRP A 60 4.061 9.196 1.307 1.00 62.54 H new ATOM 0 HA TRP A 60 6.656 7.944 1.600 1.00 43.13 H new ATOM 0 HB2 TRP A 60 4.314 7.143 2.376 1.00 42.31 H new ATOM 0 HB3 TRP A 60 4.128 6.596 0.721 1.00 42.31 H new ATOM 0 HD1 TRP A 60 7.359 6.392 2.784 1.00 11.21 H new ATOM 0 HE1 TRP A 60 8.071 3.946 3.098 1.00 41.13 H new ATOM 0 HE3 TRP A 60 3.376 4.063 0.543 1.00 53.11 H new ATOM 0 HZ2 TRP A 60 6.858 1.356 2.839 1.00 34.34 H new ATOM 0 HZ3 TRP A 60 3.096 1.608 0.758 1.00 3.02 H new ATOM 0 HH2 TRP A 60 4.819 0.259 1.931 1.00 13.00 H new ATOM 878 N MET A 61 5.352 8.240 -1.423 1.00 74.52 N ATOM 879 CA MET A 61 5.685 8.293 -2.841 1.00 1.41 C ATOM 880 C MET A 61 6.986 9.072 -3.053 1.00 52.44 C ATOM 881 O MET A 61 7.985 8.494 -3.477 1.00 44.14 O ATOM 882 CB MET A 61 4.544 8.949 -3.649 1.00 3.14 C ATOM 883 CG MET A 61 3.175 8.264 -3.591 1.00 75.23 C ATOM 884 SD MET A 61 3.002 6.641 -4.379 1.00 53.02 S ATOM 885 CE MET A 61 2.983 7.210 -6.081 1.00 44.44 C ATOM 0 H MET A 61 4.392 8.526 -1.231 1.00 74.52 H new ATOM 0 HA MET A 61 5.819 7.271 -3.196 1.00 1.41 H new ATOM 0 HB2 MET A 61 4.426 9.975 -3.299 1.00 3.14 H new ATOM 0 HB3 MET A 61 4.854 9.002 -4.693 1.00 3.14 H new ATOM 0 HG2 MET A 61 2.899 8.157 -2.542 1.00 75.23 H new ATOM 0 HG3 MET A 61 2.446 8.935 -4.045 1.00 75.23 H new ATOM 0 HE1 MET A 61 2.017 6.980 -6.531 1.00 44.44 H new ATOM 0 HE2 MET A 61 3.148 8.287 -6.106 1.00 44.44 H new ATOM 0 HE3 MET A 61 3.772 6.709 -6.641 1.00 44.44 H new ATOM 893 N GLU A 62 6.972 10.383 -2.805 1.00 35.12 N ATOM 894 CA GLU A 62 8.019 11.277 -3.289 1.00 33.33 C ATOM 895 C GLU A 62 9.308 11.121 -2.494 1.00 0.02 C ATOM 896 O GLU A 62 10.389 11.279 -3.062 1.00 3.40 O ATOM 897 CB GLU A 62 7.561 12.737 -3.232 1.00 22.32 C ATOM 898 CG GLU A 62 6.307 12.985 -4.076 1.00 62.13 C ATOM 899 CD GLU A 62 6.273 14.429 -4.571 1.00 24.52 C ATOM 900 OE1 GLU A 62 6.090 15.362 -3.750 1.00 64.33 O ATOM 901 OE2 GLU A 62 6.471 14.651 -5.785 1.00 51.02 O ATOM 0 H GLU A 62 6.241 10.849 -2.268 1.00 35.12 H new ATOM 0 HA GLU A 62 8.216 11.000 -4.325 1.00 33.33 H new ATOM 0 HB2 GLU A 62 7.360 13.012 -2.197 1.00 22.32 H new ATOM 0 HB3 GLU A 62 8.366 13.382 -3.583 1.00 22.32 H new ATOM 0 HG2 GLU A 62 6.293 12.303 -4.926 1.00 62.13 H new ATOM 0 HG3 GLU A 62 5.416 12.776 -3.484 1.00 62.13 H new ATOM 906 N ALA A 63 9.206 10.770 -1.206 1.00 24.34 N ATOM 907 CA ALA A 63 10.368 10.489 -0.376 1.00 23.24 C ATOM 908 C ALA A 63 11.200 9.404 -1.024 1.00 2.02 C ATOM 909 O ALA A 63 12.406 9.577 -1.216 1.00 35.40 O ATOM 910 CB ALA A 63 9.947 10.055 1.030 1.00 23.32 C ATOM 0 H ALA A 63 8.315 10.675 -0.718 1.00 24.34 H new ATOM 0 HA ALA A 63 10.959 11.400 -0.286 1.00 23.24 H new ATOM 0 HB1 ALA A 63 10.835 9.851 1.629 1.00 23.32 H new ATOM 0 HB2 ALA A 63 9.368 10.851 1.498 1.00 23.32 H new ATOM 0 HB3 ALA A 63 9.338 9.153 0.965 1.00 23.32 H new ATOM 916 N ASN A 64 10.542 8.304 -1.375 1.00 60.31 N ATOM 917 CA ASN A 64 11.200 7.140 -1.931 1.00 33.23 C ATOM 918 C ASN A 64 11.329 7.246 -3.443 1.00 1.03 C ATOM 919 O ASN A 64 11.764 6.294 -4.080 1.00 54.32 O ATOM 920 CB ASN A 64 10.462 5.871 -1.498 1.00 72.33 C ATOM 921 CG ASN A 64 10.619 5.694 0.000 1.00 60.23 C ATOM 922 OD1 ASN A 64 11.687 5.317 0.471 1.00 12.40 O ATOM 923 ND2 ASN A 64 9.595 6.014 0.772 1.00 23.53 N ATOM 0 H ASN A 64 9.532 8.200 -1.279 1.00 60.31 H new ATOM 0 HA ASN A 64 12.216 7.087 -1.541 1.00 33.23 H new ATOM 0 HB2 ASN A 64 9.406 5.942 -1.760 1.00 72.33 H new ATOM 0 HB3 ASN A 64 10.863 5.004 -2.023 1.00 72.33 H new ATOM 0 HD21 ASN A 64 9.682 5.950 1.786 1.00 23.53 H new ATOM 0 HD22 ASN A 64 8.718 6.325 0.353 1.00 23.53 H new ATOM 929 N GLN A 65 10.962 8.383 -4.046 1.00 42.04 N ATOM 930 CA GLN A 65 11.107 8.627 -5.476 1.00 52.45 C ATOM 931 C GLN A 65 10.388 7.513 -6.252 1.00 20.31 C ATOM 932 O GLN A 65 10.893 6.975 -7.240 1.00 72.12 O ATOM 933 CB GLN A 65 12.600 8.794 -5.824 1.00 24.42 C ATOM 934 CG GLN A 65 13.304 9.872 -4.978 1.00 2.02 C ATOM 935 CD GLN A 65 14.814 9.705 -5.046 1.00 12.00 C ATOM 936 OE1 GLN A 65 15.446 10.131 -6.009 1.00 35.43 O ATOM 937 NE2 GLN A 65 15.423 9.087 -4.052 1.00 44.34 N ATOM 0 H GLN A 65 10.550 9.168 -3.542 1.00 42.04 H new ATOM 0 HA GLN A 65 10.630 9.561 -5.774 1.00 52.45 H new ATOM 0 HB2 GLN A 65 13.108 7.840 -5.682 1.00 24.42 H new ATOM 0 HB3 GLN A 65 12.694 9.051 -6.879 1.00 24.42 H new ATOM 0 HG2 GLN A 65 13.026 10.863 -5.337 1.00 2.02 H new ATOM 0 HG3 GLN A 65 12.972 9.804 -3.942 1.00 2.02 H new ATOM 0 HE21 GLN A 65 14.882 8.740 -3.260 1.00 44.34 H new ATOM 0 HE22 GLN A 65 16.434 8.957 -4.076 1.00 44.34 H new ATOM 944 N HIS A 66 9.206 7.141 -5.750 1.00 44.31 N ATOM 945 CA HIS A 66 8.337 6.069 -6.217 1.00 33.12 C ATOM 946 C HIS A 66 8.969 4.655 -6.175 1.00 73.11 C ATOM 947 O HIS A 66 8.350 3.713 -6.682 1.00 33.11 O ATOM 948 CB HIS A 66 7.716 6.422 -7.586 1.00 33.21 C ATOM 949 CG HIS A 66 6.796 7.629 -7.637 1.00 55.21 C ATOM 950 ND1 HIS A 66 5.953 7.918 -8.690 1.00 34.44 N ATOM 951 CD2 HIS A 66 6.603 8.610 -6.692 1.00 22.31 C ATOM 952 CE1 HIS A 66 5.268 9.028 -8.380 1.00 32.20 C ATOM 953 NE2 HIS A 66 5.626 9.487 -7.174 1.00 24.13 N ATOM 0 H HIS A 66 8.806 7.622 -4.944 1.00 44.31 H new ATOM 0 HA HIS A 66 7.526 5.999 -5.492 1.00 33.12 H new ATOM 0 HB2 HIS A 66 8.528 6.586 -8.294 1.00 33.21 H new ATOM 0 HB3 HIS A 66 7.157 5.555 -7.938 1.00 33.21 H new ATOM 0 HD2 HIS A 66 7.116 8.689 -5.745 1.00 22.31 H new ATOM 0 HE1 HIS A 66 4.528 9.490 -9.017 1.00 32.20 H new ATOM 0 HE2 HIS A 66 5.259 10.313 -6.701 1.00 24.13 H new ATOM 960 N SER A 67 10.143 4.464 -5.556 1.00 31.52 N ATOM 961 CA SER A 67 10.835 3.178 -5.484 1.00 21.31 C ATOM 962 C SER A 67 11.340 2.894 -4.062 1.00 34.23 C ATOM 963 O SER A 67 12.311 3.482 -3.585 1.00 35.44 O ATOM 964 CB SER A 67 11.999 3.134 -6.472 1.00 75.53 C ATOM 965 OG SER A 67 11.708 3.810 -7.690 1.00 41.15 O ATOM 0 H SER A 67 10.644 5.216 -5.084 1.00 31.52 H new ATOM 0 HA SER A 67 10.116 2.403 -5.752 1.00 21.31 H new ATOM 0 HB2 SER A 67 12.879 3.584 -6.012 1.00 75.53 H new ATOM 0 HB3 SER A 67 12.249 2.095 -6.688 1.00 75.53 H new ATOM 0 HG SER A 67 12.483 3.755 -8.288 1.00 41.15 H new ATOM 970 N LEU A 68 10.668 1.979 -3.374 1.00 31.54 N ATOM 971 CA LEU A 68 11.075 1.495 -2.048 1.00 13.23 C ATOM 972 C LEU A 68 12.131 0.406 -2.196 1.00 0.11 C ATOM 973 O LEU A 68 12.424 -0.032 -3.315 1.00 43.04 O ATOM 974 CB LEU A 68 9.891 0.917 -1.266 1.00 75.22 C ATOM 975 CG LEU A 68 8.852 1.953 -0.836 1.00 61.53 C ATOM 976 CD1 LEU A 68 7.518 1.246 -0.619 1.00 32.32 C ATOM 977 CD2 LEU A 68 9.266 2.677 0.440 1.00 35.10 C ATOM 0 H LEU A 68 9.813 1.543 -3.720 1.00 31.54 H new ATOM 0 HA LEU A 68 11.475 2.348 -1.500 1.00 13.23 H new ATOM 0 HB2 LEU A 68 9.400 0.161 -1.879 1.00 75.22 H new ATOM 0 HB3 LEU A 68 10.270 0.410 -0.378 1.00 75.22 H new ATOM 0 HG LEU A 68 8.766 2.703 -1.622 1.00 61.53 H new ATOM 0 HD11 LEU A 68 6.767 1.973 -0.312 1.00 32.32 H new ATOM 0 HD12 LEU A 68 7.203 0.770 -1.548 1.00 32.32 H new ATOM 0 HD13 LEU A 68 7.629 0.489 0.157 1.00 32.32 H new ATOM 0 HD21 LEU A 68 8.500 3.404 0.711 1.00 35.10 H new ATOM 0 HD22 LEU A 68 9.381 1.954 1.247 1.00 35.10 H new ATOM 0 HD23 LEU A 68 10.213 3.191 0.276 1.00 35.10 H new ATOM 988 N ASN A 69 12.678 -0.051 -1.067 1.00 63.43 N ATOM 989 CA ASN A 69 13.782 -0.995 -1.047 1.00 74.34 C ATOM 990 C ASN A 69 13.603 -2.001 0.085 1.00 54.15 C ATOM 991 O ASN A 69 13.833 -1.685 1.253 1.00 24.24 O ATOM 992 CB ASN A 69 15.109 -0.245 -0.954 1.00 75.45 C ATOM 993 CG ASN A 69 16.242 -1.179 -1.334 1.00 14.30 C ATOM 994 OD1 ASN A 69 16.991 -1.639 -0.479 1.00 71.55 O ATOM 995 ND2 ASN A 69 16.374 -1.504 -2.610 1.00 71.33 N ATOM 0 H ASN A 69 12.361 0.229 -0.139 1.00 63.43 H new ATOM 0 HA ASN A 69 13.792 -1.562 -1.978 1.00 74.34 H new ATOM 0 HB2 ASN A 69 15.098 0.620 -1.617 1.00 75.45 H new ATOM 0 HB3 ASN A 69 15.257 0.131 0.058 1.00 75.45 H new ATOM 0 HD21 ASN A 69 17.110 -2.149 -2.899 1.00 71.33 H new ATOM 0 HD22 ASN A 69 15.740 -1.110 -3.305 1.00 71.33 H new ATOM 1001 N ILE A 70 13.106 -3.190 -0.252 1.00 33.32 N ATOM 1002 CA ILE A 70 12.604 -4.189 0.685 1.00 60.13 C ATOM 1003 C ILE A 70 13.260 -5.510 0.298 1.00 11.14 C ATOM 1004 O ILE A 70 13.193 -5.912 -0.863 1.00 72.52 O ATOM 1005 CB ILE A 70 11.067 -4.175 0.573 1.00 21.51 C ATOM 1006 CG1 ILE A 70 10.516 -2.902 1.252 1.00 1.43 C ATOM 1007 CG2 ILE A 70 10.368 -5.414 1.149 1.00 74.22 C ATOM 1008 CD1 ILE A 70 9.426 -2.233 0.422 1.00 64.43 C ATOM 0 H ILE A 70 13.040 -3.494 -1.223 1.00 33.32 H new ATOM 0 HA ILE A 70 12.845 -4.003 1.732 1.00 60.13 H new ATOM 0 HB ILE A 70 10.844 -4.184 -0.494 1.00 21.51 H new ATOM 0 HG12 ILE A 70 10.117 -3.159 2.233 1.00 1.43 H new ATOM 0 HG13 ILE A 70 11.331 -2.197 1.414 1.00 1.43 H new ATOM 0 HG21 ILE A 70 9.290 -5.314 1.025 1.00 74.22 H new ATOM 0 HG22 ILE A 70 10.713 -6.304 0.623 1.00 74.22 H new ATOM 0 HG23 ILE A 70 10.604 -5.505 2.209 1.00 74.22 H new ATOM 0 HD11 ILE A 70 9.069 -1.343 0.940 1.00 64.43 H new ATOM 0 HD12 ILE A 70 9.831 -1.950 -0.550 1.00 64.43 H new ATOM 0 HD13 ILE A 70 8.598 -2.927 0.282 1.00 64.43 H new ATOM 1019 N LEU A 71 13.963 -6.136 1.247 1.00 2.11 N ATOM 1020 CA LEU A 71 14.908 -7.238 1.023 1.00 14.14 C ATOM 1021 C LEU A 71 15.918 -6.844 -0.073 1.00 43.45 C ATOM 1022 O LEU A 71 16.358 -7.660 -0.890 1.00 51.12 O ATOM 1023 CB LEU A 71 14.210 -8.591 0.756 1.00 43.44 C ATOM 1024 CG LEU A 71 13.354 -9.157 1.909 1.00 73.34 C ATOM 1025 CD1 LEU A 71 12.095 -8.337 2.183 1.00 34.11 C ATOM 1026 CD2 LEU A 71 12.878 -10.574 1.577 1.00 3.12 C ATOM 0 H LEU A 71 13.887 -5.880 2.231 1.00 2.11 H new ATOM 0 HA LEU A 71 15.463 -7.403 1.946 1.00 14.14 H new ATOM 0 HB2 LEU A 71 13.572 -8.480 -0.121 1.00 43.44 H new ATOM 0 HB3 LEU A 71 14.974 -9.326 0.504 1.00 43.44 H new ATOM 0 HG LEU A 71 14.002 -9.133 2.785 1.00 73.34 H new ATOM 0 HD11 LEU A 71 11.538 -8.788 3.004 1.00 34.11 H new ATOM 0 HD12 LEU A 71 12.375 -7.318 2.451 1.00 34.11 H new ATOM 0 HD13 LEU A 71 11.471 -8.318 1.289 1.00 34.11 H new ATOM 0 HD21 LEU A 71 12.276 -10.958 2.401 1.00 3.12 H new ATOM 0 HD22 LEU A 71 12.277 -10.552 0.668 1.00 3.12 H new ATOM 0 HD23 LEU A 71 13.741 -11.222 1.426 1.00 3.12 H new ATOM 1037 N GLY A 72 16.237 -5.548 -0.149 1.00 71.25 N ATOM 1038 CA GLY A 72 17.086 -4.949 -1.163 1.00 40.25 C ATOM 1039 C GLY A 72 16.474 -4.846 -2.560 1.00 13.42 C ATOM 1040 O GLY A 72 17.085 -4.209 -3.419 1.00 0.30 O ATOM 0 H GLY A 72 15.892 -4.866 0.526 1.00 71.25 H new ATOM 0 HA2 GLY A 72 17.365 -3.948 -0.833 1.00 40.25 H new ATOM 0 HA3 GLY A 72 18.006 -5.530 -1.231 1.00 40.25 H new ATOM 1044 N GLN A 73 15.299 -5.429 -2.815 1.00 21.43 N ATOM 1045 CA GLN A 73 14.644 -5.407 -4.092 1.00 73.24 C ATOM 1046 C GLN A 73 14.166 -3.992 -4.365 1.00 63.52 C ATOM 1047 O GLN A 73 13.700 -3.293 -3.461 1.00 74.22 O ATOM 1048 CB GLN A 73 13.444 -6.346 -3.978 1.00 42.23 C ATOM 1049 CG GLN A 73 12.847 -6.720 -5.325 1.00 4.04 C ATOM 1050 CD GLN A 73 11.792 -7.820 -5.226 1.00 43.01 C ATOM 1051 OE1 GLN A 73 10.678 -7.702 -5.728 1.00 4.31 O ATOM 1052 NE2 GLN A 73 12.133 -8.934 -4.609 1.00 40.22 N ATOM 0 H GLN A 73 14.775 -5.941 -2.105 1.00 21.43 H new ATOM 0 HA GLN A 73 15.307 -5.718 -4.900 1.00 73.24 H new ATOM 0 HB2 GLN A 73 13.749 -7.254 -3.458 1.00 42.23 H new ATOM 0 HB3 GLN A 73 12.676 -5.872 -3.367 1.00 42.23 H new ATOM 0 HG2 GLN A 73 12.399 -5.834 -5.776 1.00 4.04 H new ATOM 0 HG3 GLN A 73 13.645 -7.048 -5.991 1.00 4.04 H new ATOM 0 HE21 GLN A 73 13.061 -9.024 -4.195 1.00 40.22 H new ATOM 0 HE22 GLN A 73 11.469 -9.706 -4.546 1.00 40.22 H new ATOM 1059 N LYS A 74 14.195 -3.602 -5.632 1.00 20.12 N ATOM 1060 CA LYS A 74 13.520 -2.408 -6.086 1.00 23.10 C ATOM 1061 C LYS A 74 12.042 -2.734 -6.163 1.00 73.34 C ATOM 1062 O LYS A 74 11.620 -3.530 -7.002 1.00 71.33 O ATOM 1063 CB LYS A 74 14.093 -1.945 -7.429 1.00 53.24 C ATOM 1064 CG LYS A 74 13.194 -0.871 -8.062 1.00 74.21 C ATOM 1065 CD LYS A 74 13.921 -0.096 -9.155 1.00 20.12 C ATOM 1066 CE LYS A 74 14.790 1.008 -8.543 1.00 60.11 C ATOM 1067 NZ LYS A 74 15.544 1.747 -9.572 1.00 64.53 N ATOM 0 H LYS A 74 14.688 -4.108 -6.368 1.00 20.12 H new ATOM 0 HA LYS A 74 13.671 -1.577 -5.397 1.00 23.10 H new ATOM 0 HB2 LYS A 74 15.097 -1.546 -7.284 1.00 53.24 H new ATOM 0 HB3 LYS A 74 14.183 -2.796 -8.105 1.00 53.24 H new ATOM 0 HG2 LYS A 74 12.305 -1.342 -8.481 1.00 74.21 H new ATOM 0 HG3 LYS A 74 12.855 -0.180 -7.290 1.00 74.21 H new ATOM 0 HD2 LYS A 74 14.543 -0.775 -9.738 1.00 20.12 H new ATOM 0 HD3 LYS A 74 13.197 0.342 -9.842 1.00 20.12 H new ATOM 0 HE2 LYS A 74 14.158 1.701 -7.988 1.00 60.11 H new ATOM 0 HE3 LYS A 74 15.486 0.568 -7.828 1.00 60.11 H new ATOM 0 HZ1 LYS A 74 16.119 2.485 -9.118 1.00 64.53 H new ATOM 0 HZ2 LYS A 74 16.166 1.090 -10.086 1.00 64.53 H new ATOM 0 HZ3 LYS A 74 14.880 2.188 -10.240 1.00 64.53 H new ATOM 1077 N VAL A 75 11.263 -2.131 -5.281 1.00 62.21 N ATOM 1078 CA VAL A 75 9.814 -2.147 -5.359 1.00 32.43 C ATOM 1079 C VAL A 75 9.406 -0.938 -6.204 1.00 41.34 C ATOM 1080 O VAL A 75 10.152 0.043 -6.307 1.00 11.20 O ATOM 1081 CB VAL A 75 9.264 -2.102 -3.922 1.00 51.15 C ATOM 1082 CG1 VAL A 75 7.737 -2.252 -3.839 1.00 13.10 C ATOM 1083 CG2 VAL A 75 9.937 -3.166 -3.035 1.00 40.45 C ATOM 0 H VAL A 75 11.624 -1.611 -4.482 1.00 62.21 H new ATOM 0 HA VAL A 75 9.410 -3.043 -5.829 1.00 32.43 H new ATOM 0 HB VAL A 75 9.507 -1.106 -3.552 1.00 51.15 H new ATOM 0 HG11 VAL A 75 7.424 -2.211 -2.796 1.00 13.10 H new ATOM 0 HG12 VAL A 75 7.261 -1.443 -4.393 1.00 13.10 H new ATOM 0 HG13 VAL A 75 7.442 -3.209 -4.269 1.00 13.10 H new ATOM 0 HG21 VAL A 75 9.528 -3.110 -2.026 1.00 40.45 H new ATOM 0 HG22 VAL A 75 9.748 -4.157 -3.449 1.00 40.45 H new ATOM 0 HG23 VAL A 75 11.011 -2.985 -3.002 1.00 40.45 H new ATOM 1093 N SER A 76 8.200 -0.956 -6.765 1.00 2.13 N ATOM 1094 CA SER A 76 7.582 0.202 -7.385 1.00 34.22 C ATOM 1095 C SER A 76 6.261 0.477 -6.670 1.00 3.32 C ATOM 1096 O SER A 76 5.461 -0.445 -6.471 1.00 21.33 O ATOM 1097 CB SER A 76 7.454 -0.049 -8.889 1.00 55.23 C ATOM 1098 OG SER A 76 6.698 -1.203 -9.209 1.00 63.55 O ATOM 0 H SER A 76 7.618 -1.793 -6.800 1.00 2.13 H new ATOM 0 HA SER A 76 8.186 1.104 -7.284 1.00 34.22 H new ATOM 0 HB2 SER A 76 6.990 0.820 -9.356 1.00 55.23 H new ATOM 0 HB3 SER A 76 8.451 -0.147 -9.319 1.00 55.23 H new ATOM 0 HG SER A 76 6.653 -1.305 -10.183 1.00 63.55 H new ATOM 1103 N MET A 77 6.052 1.724 -6.231 1.00 40.05 N ATOM 1104 CA MET A 77 4.772 2.149 -5.675 1.00 55.21 C ATOM 1105 C MET A 77 3.938 2.860 -6.733 1.00 12.31 C ATOM 1106 O MET A 77 4.460 3.495 -7.655 1.00 73.43 O ATOM 1107 CB MET A 77 4.913 3.011 -4.415 1.00 42.44 C ATOM 1108 CG MET A 77 5.842 4.219 -4.528 1.00 51.31 C ATOM 1109 SD MET A 77 7.224 4.211 -3.359 1.00 11.11 S ATOM 1110 CE MET A 77 6.320 4.415 -1.799 1.00 40.41 C ATOM 0 H MET A 77 6.761 2.457 -6.253 1.00 40.05 H new ATOM 0 HA MET A 77 4.253 1.242 -5.363 1.00 55.21 H new ATOM 0 HB2 MET A 77 3.923 3.365 -4.129 1.00 42.44 H new ATOM 0 HB3 MET A 77 5.271 2.377 -3.604 1.00 42.44 H new ATOM 0 HG2 MET A 77 6.240 4.263 -5.542 1.00 51.31 H new ATOM 0 HG3 MET A 77 5.258 5.127 -4.375 1.00 51.31 H new ATOM 0 HE1 MET A 77 7.029 4.502 -0.976 1.00 40.41 H new ATOM 0 HE2 MET A 77 5.709 5.316 -1.848 1.00 40.41 H new ATOM 0 HE3 MET A 77 5.678 3.549 -1.635 1.00 40.41 H new ATOM 1118 N HIS A 78 2.625 2.749 -6.577 1.00 71.44 N ATOM 1119 CA HIS A 78 1.584 3.273 -7.440 1.00 34.30 C ATOM 1120 C HIS A 78 0.446 3.686 -6.516 1.00 0.41 C ATOM 1121 O HIS A 78 0.162 2.956 -5.565 1.00 40.05 O ATOM 1122 CB HIS A 78 1.111 2.139 -8.366 1.00 22.31 C ATOM 1123 CG HIS A 78 2.132 1.714 -9.386 1.00 14.10 C ATOM 1124 ND1 HIS A 78 2.129 2.093 -10.706 1.00 43.02 N ATOM 1125 CD2 HIS A 78 3.209 0.893 -9.177 1.00 40.14 C ATOM 1126 CE1 HIS A 78 3.208 1.548 -11.286 1.00 35.14 C ATOM 1127 NE2 HIS A 78 3.899 0.808 -10.396 1.00 20.42 N ATOM 0 H HIS A 78 2.234 2.249 -5.778 1.00 71.44 H new ATOM 0 HA HIS A 78 1.925 4.111 -8.048 1.00 34.30 H new ATOM 0 HB2 HIS A 78 0.840 1.276 -7.757 1.00 22.31 H new ATOM 0 HB3 HIS A 78 0.207 2.460 -8.884 1.00 22.31 H new ATOM 0 HD2 HIS A 78 3.476 0.405 -8.251 1.00 40.14 H new ATOM 0 HE1 HIS A 78 3.485 1.683 -12.321 1.00 35.14 H new ATOM 0 HE2 HIS A 78 4.758 0.287 -10.574 1.00 20.42 H new ATOM 1134 N TYR A 79 -0.224 4.808 -6.777 1.00 41.03 N ATOM 1135 CA TYR A 79 -1.515 5.068 -6.175 1.00 12.20 C ATOM 1136 C TYR A 79 -2.514 4.059 -6.722 1.00 12.02 C ATOM 1137 O TYR A 79 -2.871 4.106 -7.902 1.00 13.42 O ATOM 1138 CB TYR A 79 -1.979 6.484 -6.516 1.00 15.32 C ATOM 1139 CG TYR A 79 -1.277 7.635 -5.821 1.00 61.25 C ATOM 1140 CD1 TYR A 79 -0.711 7.503 -4.534 1.00 55.11 C ATOM 1141 CD2 TYR A 79 -1.278 8.891 -6.454 1.00 44.44 C ATOM 1142 CE1 TYR A 79 -0.161 8.622 -3.890 1.00 0.24 C ATOM 1143 CE2 TYR A 79 -0.714 10.010 -5.822 1.00 72.53 C ATOM 1144 CZ TYR A 79 -0.158 9.877 -4.534 1.00 1.31 C ATOM 1145 OH TYR A 79 0.388 10.948 -3.910 1.00 12.14 O ATOM 0 H TYR A 79 0.111 5.544 -7.399 1.00 41.03 H new ATOM 0 HA TYR A 79 -1.441 4.977 -5.091 1.00 12.20 H new ATOM 0 HB2 TYR A 79 -1.871 6.624 -7.592 1.00 15.32 H new ATOM 0 HB3 TYR A 79 -3.043 6.553 -6.291 1.00 15.32 H new ATOM 0 HD1 TYR A 79 -0.701 6.540 -4.045 1.00 55.11 H new ATOM 0 HD2 TYR A 79 -1.717 8.995 -7.435 1.00 44.44 H new ATOM 0 HE1 TYR A 79 0.260 8.522 -2.901 1.00 0.24 H new ATOM 0 HE2 TYR A 79 -0.706 10.968 -6.320 1.00 72.53 H new ATOM 0 HH TYR A 79 0.311 11.737 -4.487 1.00 12.14 H new ATOM 1154 N SER A 80 -2.973 3.149 -5.885 1.00 72.15 N ATOM 1155 CA SER A 80 -4.149 2.323 -6.100 1.00 53.02 C ATOM 1156 C SER A 80 -5.338 3.139 -5.598 1.00 41.34 C ATOM 1157 O SER A 80 -5.852 2.885 -4.514 1.00 4.42 O ATOM 1158 CB SER A 80 -3.967 0.999 -5.335 1.00 42.14 C ATOM 1159 OG SER A 80 -2.977 1.136 -4.329 1.00 31.34 O ATOM 0 H SER A 80 -2.516 2.955 -4.994 1.00 72.15 H new ATOM 0 HA SER A 80 -4.309 2.062 -7.146 1.00 53.02 H new ATOM 0 HB2 SER A 80 -4.913 0.701 -4.883 1.00 42.14 H new ATOM 0 HB3 SER A 80 -3.681 0.208 -6.029 1.00 42.14 H new ATOM 0 HG SER A 80 -2.842 0.274 -3.884 1.00 31.34 H new