USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=16 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 19 LYS NZ :NH3+ 180:sc= 0.527 (180deg=0) USER MOD Set 1.2: A 93 TYR OH : rot 165:sc= -0.829 USER MOD Single : A 4 GLN : amide:sc= -0.355 K(o=-0.35,f=-1.1) USER MOD Single : A 5 ASN : amide:sc= -0.66 X(o=-0.66,f=-0.74) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0326 USER MOD Single : A 17 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.121) 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+ -130:sc= -0.298 (180deg=-1.16) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.655 F(o=-1.8,f=-0.65) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 162:sc= -0.176 (180deg=-0.577) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.9 K(o=-1.9,f=-11!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 MET CE :methyl -169:sc= 0 (180deg=-0.195) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= -0.0308 X(o=-0.031,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -98:sc= -0.0275 USER MOD Single : A 90 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.00379) USER MOD Single : A 91 SER OG : rot -140:sc= -0.8 USER MOD Single : A 92 ASN : amide:sc= -2.38 K(o=-2.4,f=-4.1!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= -0.0278 F(o=-0.73,f=-0.028) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 3 10.436 -2.825 4.497 1.00 25.12 N ATOM 19 CA ALA A 3 9.962 -4.192 4.321 1.00 73.32 C ATOM 20 C ALA A 3 9.301 -4.712 5.593 1.00 44.42 C ATOM 21 O ALA A 3 9.802 -5.640 6.228 1.00 14.23 O ATOM 22 CB ALA A 3 11.111 -5.101 3.911 1.00 13.33 C ATOM 0 HA ALA A 3 9.214 -4.191 3.528 1.00 73.32 H new ATOM 0 HB1 ALA A 3 10.742 -6.119 3.783 1.00 13.33 H new ATOM 0 HB2 ALA A 3 11.536 -4.749 2.971 1.00 13.33 H new ATOM 0 HB3 ALA A 3 11.879 -5.088 4.684 1.00 13.33 H new ATOM 28 N GLN A 4 8.175 -4.108 5.960 1.00 60.21 N ATOM 29 CA GLN A 4 7.448 -4.511 7.157 1.00 5.34 C ATOM 30 C GLN A 4 6.371 -5.537 6.821 1.00 22.31 C ATOM 31 O GLN A 4 5.610 -5.363 5.869 1.00 13.32 O ATOM 32 CB GLN A 4 6.816 -3.291 7.829 1.00 3.24 C ATOM 33 CG GLN A 4 6.298 -3.569 9.232 1.00 31.22 C ATOM 34 CD GLN A 4 7.296 -4.333 10.080 1.00 23.42 C ATOM 35 OE1 GLN A 4 8.503 -4.096 10.007 1.00 64.33 O ATOM 36 NE2 GLN A 4 6.797 -5.256 10.894 1.00 0.43 N ATOM 0 H GLN A 4 7.747 -3.338 5.445 1.00 60.21 H new ATOM 0 HA GLN A 4 8.157 -4.970 7.846 1.00 5.34 H new ATOM 0 HB2 GLN A 4 7.553 -2.489 7.875 1.00 3.24 H new ATOM 0 HB3 GLN A 4 5.993 -2.932 7.211 1.00 3.24 H new ATOM 0 HG2 GLN A 4 6.059 -2.625 9.721 1.00 31.22 H new ATOM 0 HG3 GLN A 4 5.371 -4.138 9.167 1.00 31.22 H new ATOM 0 HE21 GLN A 4 5.791 -5.420 10.923 1.00 0.43 H new ATOM 0 HE22 GLN A 4 7.420 -5.801 11.490 1.00 0.43 H new ATOM 43 N ASN A 5 6.312 -6.606 7.609 1.00 64.34 N ATOM 44 CA ASN A 5 5.328 -7.661 7.394 1.00 63.05 C ATOM 45 C ASN A 5 4.045 -7.374 8.168 1.00 62.02 C ATOM 46 O ASN A 5 4.066 -7.228 9.390 1.00 1.12 O ATOM 47 CB ASN A 5 5.900 -9.015 7.816 1.00 14.13 C ATOM 48 CG ASN A 5 6.141 -9.099 9.311 1.00 15.22 C ATOM 49 OD1 ASN A 5 5.281 -9.554 10.065 1.00 21.14 O ATOM 50 ND2 ASN A 5 7.317 -8.661 9.747 1.00 72.40 N ATOM 0 H ASN A 5 6.934 -6.764 8.402 1.00 64.34 H new ATOM 0 HA ASN A 5 5.091 -7.691 6.331 1.00 63.05 H new ATOM 0 HB2 ASN A 5 5.213 -9.806 7.516 1.00 14.13 H new ATOM 0 HB3 ASN A 5 6.838 -9.191 7.289 1.00 14.13 H new ATOM 0 HD21 ASN A 5 7.536 -8.694 10.743 1.00 72.40 H new ATOM 0 HD22 ASN A 5 8.001 -8.292 9.086 1.00 72.40 H new ATOM 56 N ILE A 6 2.932 -7.294 7.447 1.00 25.21 N ATOM 57 CA ILE A 6 1.640 -7.028 8.066 1.00 32.34 C ATOM 58 C ILE A 6 0.621 -8.103 7.701 1.00 73.32 C ATOM 59 O ILE A 6 0.349 -8.342 6.524 1.00 54.34 O ATOM 60 CB ILE A 6 1.088 -5.651 7.648 1.00 53.44 C ATOM 61 CG1 ILE A 6 2.057 -4.542 8.065 1.00 10.11 C ATOM 62 CG2 ILE A 6 -0.284 -5.421 8.263 1.00 71.22 C ATOM 63 CD1 ILE A 6 2.145 -4.348 9.563 1.00 73.24 C ATOM 0 H ILE A 6 2.899 -7.410 6.434 1.00 25.21 H new ATOM 0 HA ILE A 6 1.801 -7.035 9.144 1.00 32.34 H new ATOM 0 HB ILE A 6 0.986 -5.631 6.563 1.00 53.44 H new ATOM 0 HG12 ILE A 6 3.049 -4.773 7.678 1.00 10.11 H new ATOM 0 HG13 ILE A 6 1.745 -3.605 7.603 1.00 10.11 H new ATOM 0 HG21 ILE A 6 -0.660 -4.444 7.958 1.00 71.22 H new ATOM 0 HG22 ILE A 6 -0.970 -6.197 7.922 1.00 71.22 H new ATOM 0 HG23 ILE A 6 -0.206 -5.457 9.350 1.00 71.22 H new ATOM 0 HD11 ILE A 6 2.850 -3.547 9.785 1.00 73.24 H new ATOM 0 HD12 ILE A 6 1.162 -4.086 9.954 1.00 73.24 H new ATOM 0 HD13 ILE A 6 2.487 -5.272 10.030 1.00 73.24 H new ATOM 74 N THR A 7 0.059 -8.748 8.717 1.00 32.13 N ATOM 75 CA THR A 7 -0.930 -9.797 8.504 1.00 24.24 C ATOM 76 C THR A 7 -2.347 -9.237 8.565 1.00 12.52 C ATOM 77 O THR A 7 -2.647 -8.371 9.385 1.00 22.24 O ATOM 78 CB THR A 7 -0.789 -10.921 9.546 1.00 42.52 C ATOM 79 OG1 THR A 7 -0.474 -10.367 10.827 1.00 33.53 O ATOM 80 CG2 THR A 7 0.294 -11.908 9.134 1.00 11.31 C ATOM 0 H THR A 7 0.272 -8.562 9.697 1.00 32.13 H new ATOM 0 HA THR A 7 -0.747 -10.207 7.511 1.00 24.24 H new ATOM 0 HB THR A 7 -1.739 -11.452 9.605 1.00 42.52 H new ATOM 0 HG1 THR A 7 -0.388 -11.089 11.484 1.00 33.53 H new ATOM 0 HG21 THR A 7 0.376 -12.693 9.886 1.00 11.31 H new ATOM 0 HG22 THR A 7 0.035 -12.351 8.172 1.00 11.31 H new ATOM 0 HG23 THR A 7 1.248 -11.387 9.049 1.00 11.31 H new ATOM 88 N ALA A 8 -3.215 -9.739 7.694 1.00 62.04 N ATOM 89 CA ALA A 8 -4.601 -9.291 7.650 1.00 45.21 C ATOM 90 C ALA A 8 -5.530 -10.418 7.209 1.00 14.32 C ATOM 91 O ALA A 8 -5.075 -11.454 6.724 1.00 62.10 O ATOM 92 CB ALA A 8 -4.741 -8.095 6.720 1.00 32.12 C ATOM 0 H ALA A 8 -2.983 -10.457 7.008 1.00 62.04 H new ATOM 0 HA ALA A 8 -4.890 -8.990 8.657 1.00 45.21 H new ATOM 0 HB1 ALA A 8 -5.782 -7.772 6.697 1.00 32.12 H new ATOM 0 HB2 ALA A 8 -4.115 -7.279 7.080 1.00 32.12 H new ATOM 0 HB3 ALA A 8 -4.427 -8.377 5.715 1.00 32.12 H new ATOM 98 N ARG A 9 -6.830 -10.208 7.381 1.00 23.30 N ATOM 99 CA ARG A 9 -7.822 -11.208 7.001 1.00 40.11 C ATOM 100 C ARG A 9 -8.766 -10.660 5.935 1.00 22.12 C ATOM 101 O ARG A 9 -9.040 -9.461 5.893 1.00 74.32 O ATOM 102 CB ARG A 9 -8.623 -11.654 8.226 1.00 75.32 C ATOM 103 CG ARG A 9 -8.246 -13.038 8.730 1.00 73.14 C ATOM 104 CD ARG A 9 -7.863 -13.011 10.200 1.00 44.41 C ATOM 105 NE ARG A 9 -7.906 -14.342 10.802 1.00 41.12 N ATOM 106 CZ ARG A 9 -7.028 -15.300 10.530 1.00 71.34 C ATOM 107 NH1 ARG A 9 -6.042 -15.075 9.670 1.00 3.22 N ATOM 108 NH2 ARG A 9 -7.132 -16.485 11.116 1.00 23.00 N ATOM 0 H ARG A 9 -7.222 -9.355 7.781 1.00 23.30 H new ATOM 0 HA ARG A 9 -7.294 -12.067 6.587 1.00 40.11 H new ATOM 0 HB2 ARG A 9 -8.475 -10.932 9.029 1.00 75.32 H new ATOM 0 HB3 ARG A 9 -9.685 -11.643 7.979 1.00 75.32 H new ATOM 0 HG2 ARG A 9 -9.084 -13.720 8.584 1.00 73.14 H new ATOM 0 HG3 ARG A 9 -7.413 -13.426 8.143 1.00 73.14 H new ATOM 0 HD2 ARG A 9 -6.860 -12.598 10.306 1.00 44.41 H new ATOM 0 HD3 ARG A 9 -8.540 -12.348 10.739 1.00 44.41 H new ATOM 0 HE ARG A 9 -8.651 -14.546 11.468 1.00 41.12 H new ATOM 0 HH11 ARG A 9 -5.958 -14.165 9.217 1.00 3.22 H new ATOM 0 HH12 ARG A 9 -5.368 -15.812 9.462 1.00 3.22 H new ATOM 0 HH21 ARG A 9 -7.888 -16.662 11.777 1.00 23.00 H new ATOM 0 HH22 ARG A 9 -6.456 -17.219 10.905 1.00 23.00 H new ATOM 119 N ILE A 10 -9.259 -11.546 5.076 1.00 0.33 N ATOM 120 CA ILE A 10 -10.172 -11.151 4.011 1.00 4.13 C ATOM 121 C ILE A 10 -11.349 -10.356 4.564 1.00 30.33 C ATOM 122 O ILE A 10 -12.107 -10.846 5.400 1.00 44.13 O ATOM 123 CB ILE A 10 -10.708 -12.376 3.247 1.00 22.11 C ATOM 124 CG1 ILE A 10 -9.555 -13.146 2.600 1.00 71.22 C ATOM 125 CG2 ILE A 10 -11.719 -11.943 2.196 1.00 51.11 C ATOM 126 CD1 ILE A 10 -9.817 -14.630 2.473 1.00 44.42 C ATOM 0 H ILE A 10 -9.041 -12.542 5.097 1.00 0.33 H new ATOM 0 HA ILE A 10 -9.604 -10.524 3.324 1.00 4.13 H new ATOM 0 HB ILE A 10 -11.209 -13.037 3.955 1.00 22.11 H new ATOM 0 HG12 ILE A 10 -9.363 -12.733 1.610 1.00 71.22 H new ATOM 0 HG13 ILE A 10 -8.651 -12.994 3.190 1.00 71.22 H new ATOM 0 HG21 ILE A 10 -12.089 -12.820 1.664 1.00 51.11 H new ATOM 0 HG22 ILE A 10 -12.552 -11.434 2.681 1.00 51.11 H new ATOM 0 HG23 ILE A 10 -11.241 -11.265 1.489 1.00 51.11 H new ATOM 0 HD11 ILE A 10 -8.958 -15.112 2.006 1.00 44.42 H new ATOM 0 HD12 ILE A 10 -9.979 -15.057 3.463 1.00 44.42 H new ATOM 0 HD13 ILE A 10 -10.703 -14.792 1.858 1.00 44.42 H new ATOM 137 N GLY A 11 -11.497 -9.122 4.090 1.00 22.12 N ATOM 138 CA GLY A 11 -12.585 -8.277 4.547 1.00 51.22 C ATOM 139 C GLY A 11 -12.224 -7.488 5.790 1.00 71.53 C ATOM 140 O GLY A 11 -13.088 -6.870 6.412 1.00 13.13 O ATOM 0 H GLY A 11 -10.883 -8.693 3.398 1.00 22.12 H new ATOM 0 HA2 GLY A 11 -12.864 -7.587 3.751 1.00 51.22 H new ATOM 0 HA3 GLY A 11 -13.459 -8.895 4.754 1.00 51.22 H new ATOM 144 N GLU A 12 -10.946 -7.509 6.153 1.00 54.43 N ATOM 145 CA GLU A 12 -10.474 -6.794 7.332 1.00 72.44 C ATOM 146 C GLU A 12 -9.765 -5.502 6.935 1.00 31.45 C ATOM 147 O GLU A 12 -9.000 -5.455 5.972 1.00 63.11 O ATOM 148 CB GLU A 12 -9.530 -7.676 8.150 1.00 61.30 C ATOM 149 CG GLU A 12 -10.185 -8.944 8.674 1.00 44.45 C ATOM 150 CD GLU A 12 -11.579 -8.701 9.216 1.00 32.40 C ATOM 151 OE1 GLU A 12 -11.717 -7.892 10.157 1.00 53.12 O ATOM 152 OE2 GLU A 12 -12.533 -9.319 8.698 1.00 11.24 O ATOM 0 H GLU A 12 -10.218 -8.014 5.647 1.00 54.43 H new ATOM 0 HA GLU A 12 -11.341 -6.541 7.943 1.00 72.44 H new ATOM 0 HB2 GLU A 12 -8.674 -7.948 7.533 1.00 61.30 H new ATOM 0 HB3 GLU A 12 -9.146 -7.100 8.992 1.00 61.30 H new ATOM 0 HG2 GLU A 12 -10.235 -9.680 7.872 1.00 44.45 H new ATOM 0 HG3 GLU A 12 -9.563 -9.371 9.461 1.00 44.45 H new ATOM 157 N PRO A 13 -10.022 -4.427 7.697 1.00 43.53 N ATOM 158 CA PRO A 13 -9.418 -3.115 7.445 1.00 42.32 C ATOM 159 C PRO A 13 -7.925 -3.096 7.752 1.00 53.13 C ATOM 160 O PRO A 13 -7.467 -3.736 8.699 1.00 51.30 O ATOM 161 CB PRO A 13 -10.173 -2.188 8.401 1.00 13.41 C ATOM 162 CG PRO A 13 -10.642 -3.079 9.499 1.00 23.10 C ATOM 163 CD PRO A 13 -10.923 -4.411 8.860 1.00 35.14 C ATOM 0 HA PRO A 13 -9.496 -2.824 6.397 1.00 42.32 H new ATOM 0 HB2 PRO A 13 -9.525 -1.398 8.781 1.00 13.41 H new ATOM 0 HB3 PRO A 13 -11.010 -1.701 7.901 1.00 13.41 H new ATOM 0 HG2 PRO A 13 -9.884 -3.172 10.277 1.00 23.10 H new ATOM 0 HG3 PRO A 13 -11.538 -2.677 9.972 1.00 23.10 H new ATOM 0 HD2 PRO A 13 -10.714 -5.236 9.541 1.00 35.14 H new ATOM 0 HD3 PRO A 13 -11.967 -4.501 8.561 1.00 35.14 H new ATOM 168 N LEU A 14 -7.170 -2.358 6.945 1.00 0.54 N ATOM 169 CA LEU A 14 -5.726 -2.256 7.131 1.00 73.20 C ATOM 170 C LEU A 14 -5.225 -0.867 6.748 1.00 24.30 C ATOM 171 O LEU A 14 -5.724 -0.253 5.805 1.00 44.11 O ATOM 172 CB LEU A 14 -5.007 -3.317 6.297 1.00 22.22 C ATOM 173 CG LEU A 14 -3.510 -3.481 6.564 1.00 41.25 C ATOM 174 CD1 LEU A 14 -3.278 -4.118 7.924 1.00 11.15 C ATOM 175 CD2 LEU A 14 -2.860 -4.310 5.466 1.00 62.15 C ATOM 0 H LEU A 14 -7.533 -1.822 6.157 1.00 0.54 H new ATOM 0 HA LEU A 14 -5.508 -2.424 8.186 1.00 73.20 H new ATOM 0 HB2 LEU A 14 -5.494 -4.277 6.469 1.00 22.22 H new ATOM 0 HB3 LEU A 14 -5.143 -3.075 5.243 1.00 22.22 H new ATOM 0 HG LEU A 14 -3.050 -2.493 6.565 1.00 41.25 H new ATOM 0 HD11 LEU A 14 -2.207 -4.227 8.097 1.00 11.15 H new ATOM 0 HD12 LEU A 14 -3.708 -3.485 8.700 1.00 11.15 H new ATOM 0 HD13 LEU A 14 -3.752 -5.099 7.952 1.00 11.15 H new ATOM 0 HD21 LEU A 14 -1.795 -4.416 5.672 1.00 62.15 H new ATOM 0 HD22 LEU A 14 -3.323 -5.296 5.432 1.00 62.15 H new ATOM 0 HD23 LEU A 14 -2.995 -3.812 4.506 1.00 62.15 H new ATOM 186 N VAL A 15 -4.234 -0.376 7.486 1.00 63.34 N ATOM 187 CA VAL A 15 -3.663 0.939 7.221 1.00 13.14 C ATOM 188 C VAL A 15 -2.166 0.844 6.952 1.00 54.13 C ATOM 189 O VAL A 15 -1.470 0.012 7.537 1.00 64.14 O ATOM 190 CB VAL A 15 -3.902 1.902 8.400 1.00 40.44 C ATOM 191 CG1 VAL A 15 -3.447 3.307 8.041 1.00 73.13 C ATOM 192 CG2 VAL A 15 -5.367 1.893 8.806 1.00 25.10 C ATOM 0 H VAL A 15 -3.810 -0.869 8.272 1.00 63.34 H new ATOM 0 HA VAL A 15 -4.164 1.329 6.335 1.00 13.14 H new ATOM 0 HB VAL A 15 -3.312 1.562 9.251 1.00 40.44 H new ATOM 0 HG11 VAL A 15 -3.623 3.973 8.885 1.00 73.13 H new ATOM 0 HG12 VAL A 15 -2.383 3.295 7.804 1.00 73.13 H new ATOM 0 HG13 VAL A 15 -4.008 3.661 7.176 1.00 73.13 H new ATOM 0 HG21 VAL A 15 -5.518 2.579 9.640 1.00 25.10 H new ATOM 0 HG22 VAL A 15 -5.980 2.208 7.962 1.00 25.10 H new ATOM 0 HG23 VAL A 15 -5.655 0.886 9.108 1.00 25.10 H new ATOM 202 N LEU A 16 -1.674 1.700 6.063 1.00 60.44 N ATOM 203 CA LEU A 16 -0.258 1.714 5.716 1.00 62.43 C ATOM 204 C LEU A 16 0.304 3.131 5.777 1.00 41.54 C ATOM 205 O LEU A 16 -0.398 4.102 5.494 1.00 40.31 O ATOM 206 CB LEU A 16 -0.051 1.131 4.316 1.00 3.32 C ATOM 207 CG LEU A 16 -0.373 -0.354 4.154 1.00 41.12 C ATOM 208 CD1 LEU A 16 -0.161 -0.792 2.712 1.00 13.24 C ATOM 209 CD2 LEU A 16 0.477 -1.191 5.099 1.00 65.45 C ATOM 0 H LEU A 16 -2.236 2.394 5.569 1.00 60.44 H new ATOM 0 HA LEU A 16 0.275 1.100 6.442 1.00 62.43 H new ATOM 0 HB2 LEU A 16 -0.667 1.694 3.615 1.00 3.32 H new ATOM 0 HB3 LEU A 16 0.988 1.291 4.028 1.00 3.32 H new ATOM 0 HG LEU A 16 -1.422 -0.509 4.409 1.00 41.12 H new ATOM 0 HD11 LEU A 16 -0.395 -1.852 2.616 1.00 13.24 H new ATOM 0 HD12 LEU A 16 -0.814 -0.215 2.057 1.00 13.24 H new ATOM 0 HD13 LEU A 16 0.878 -0.623 2.429 1.00 13.24 H new ATOM 0 HD21 LEU A 16 0.234 -2.246 4.970 1.00 65.45 H new ATOM 0 HD22 LEU A 16 1.532 -1.032 4.877 1.00 65.45 H new ATOM 0 HD23 LEU A 16 0.275 -0.896 6.129 1.00 65.45 H new ATOM 220 N LYS A 17 1.576 3.242 6.145 1.00 62.21 N ATOM 221 CA LYS A 17 2.235 4.539 6.240 1.00 2.53 C ATOM 222 C LYS A 17 3.337 4.667 5.195 1.00 62.25 C ATOM 223 O LYS A 17 3.928 3.671 4.774 1.00 35.42 O ATOM 224 CB LYS A 17 2.822 4.734 7.642 1.00 43.43 C ATOM 225 CG LYS A 17 3.076 6.189 7.996 1.00 54.24 C ATOM 226 CD LYS A 17 2.992 6.420 9.496 1.00 40.44 C ATOM 227 CE LYS A 17 1.587 6.820 9.920 1.00 55.44 C ATOM 228 NZ LYS A 17 0.821 5.665 10.461 1.00 44.43 N ATOM 0 H LYS A 17 2.171 2.449 6.382 1.00 62.21 H new ATOM 0 HA LYS A 17 1.490 5.312 6.053 1.00 2.53 H new ATOM 0 HB2 LYS A 17 2.140 4.304 8.376 1.00 43.43 H new ATOM 0 HB3 LYS A 17 3.759 4.182 7.715 1.00 43.43 H new ATOM 0 HG2 LYS A 17 4.061 6.486 7.636 1.00 54.24 H new ATOM 0 HG3 LYS A 17 2.347 6.821 7.488 1.00 54.24 H new ATOM 0 HD2 LYS A 17 3.288 5.512 10.022 1.00 40.44 H new ATOM 0 HD3 LYS A 17 3.696 7.200 9.785 1.00 40.44 H new ATOM 0 HE2 LYS A 17 1.645 7.603 10.676 1.00 55.44 H new ATOM 0 HE3 LYS A 17 1.056 7.240 9.066 1.00 55.44 H new ATOM 0 HZ1 LYS A 17 -0.054 6.007 10.908 1.00 44.43 H new ATOM 0 HZ2 LYS A 17 0.582 5.013 9.686 1.00 44.43 H new ATOM 0 HZ3 LYS A 17 1.398 5.166 11.168 1.00 44.43 H new ATOM 238 N CYS A 18 3.611 5.899 4.778 1.00 71.21 N ATOM 239 CA CYS A 18 4.643 6.158 3.781 1.00 34.30 C ATOM 240 C CYS A 18 5.865 6.809 4.420 1.00 11.25 C ATOM 241 O CYS A 18 5.883 8.015 4.667 1.00 32.54 O ATOM 242 CB CYS A 18 4.094 7.058 2.671 1.00 2.42 C ATOM 243 SG CYS A 18 3.438 6.150 1.234 1.00 61.02 S ATOM 0 H CYS A 18 3.132 6.734 5.115 1.00 71.21 H new ATOM 0 HA CYS A 18 4.945 5.203 3.350 1.00 34.30 H new ATOM 0 HB2 CYS A 18 3.303 7.684 3.084 1.00 2.42 H new ATOM 0 HB3 CYS A 18 4.887 7.726 2.334 1.00 2.42 H new ATOM 247 N LYS A 19 6.887 6.002 4.688 1.00 72.21 N ATOM 248 CA LYS A 19 8.115 6.498 5.297 1.00 24.51 C ATOM 249 C LYS A 19 8.720 7.623 4.464 1.00 21.22 C ATOM 250 O LYS A 19 8.986 7.454 3.275 1.00 32.32 O ATOM 251 CB LYS A 19 9.127 5.361 5.450 1.00 11.31 C ATOM 252 CG LYS A 19 9.183 4.780 6.853 1.00 41.10 C ATOM 253 CD LYS A 19 7.961 3.927 7.151 1.00 2.22 C ATOM 254 CE LYS A 19 7.536 4.054 8.606 1.00 63.04 C ATOM 255 NZ LYS A 19 8.126 2.979 9.453 1.00 75.50 N ATOM 0 H LYS A 19 6.888 5.001 4.493 1.00 72.21 H new ATOM 0 HA LYS A 19 7.869 6.893 6.283 1.00 24.51 H new ATOM 0 HB2 LYS A 19 8.877 4.567 4.747 1.00 11.31 H new ATOM 0 HB3 LYS A 19 10.117 5.728 5.178 1.00 11.31 H new ATOM 0 HG2 LYS A 19 10.084 4.177 6.963 1.00 41.10 H new ATOM 0 HG3 LYS A 19 9.250 5.589 7.581 1.00 41.10 H new ATOM 0 HD2 LYS A 19 7.138 4.228 6.503 1.00 2.22 H new ATOM 0 HD3 LYS A 19 8.180 2.884 6.924 1.00 2.22 H new ATOM 0 HE2 LYS A 19 7.841 5.027 8.990 1.00 63.04 H new ATOM 0 HE3 LYS A 19 6.449 4.012 8.672 1.00 63.04 H new ATOM 0 HZ1 LYS A 19 7.812 3.101 10.437 1.00 75.50 H new ATOM 0 HZ2 LYS A 19 7.814 2.051 9.103 1.00 75.50 H new ATOM 0 HZ3 LYS A 19 9.164 3.034 9.411 1.00 75.50 H new ATOM 265 N GLY A 20 8.937 8.772 5.098 1.00 31.31 N ATOM 266 CA GLY A 20 9.511 9.907 4.400 1.00 11.05 C ATOM 267 C GLY A 20 8.649 11.150 4.508 1.00 52.54 C ATOM 268 O GLY A 20 9.160 12.255 4.682 1.00 15.41 O ATOM 0 H GLY A 20 8.725 8.936 6.082 1.00 31.31 H new ATOM 0 HA2 GLY A 20 10.500 10.118 4.807 1.00 11.05 H new ATOM 0 HA3 GLY A 20 9.647 9.653 3.349 1.00 11.05 H new ATOM 272 N ALA A 21 7.337 10.969 4.402 1.00 62.43 N ATOM 273 CA ALA A 21 6.402 12.084 4.488 1.00 15.40 C ATOM 274 C ALA A 21 5.942 12.305 5.926 1.00 52.23 C ATOM 275 O ALA A 21 5.498 11.382 6.608 1.00 1.33 O ATOM 276 CB ALA A 21 5.205 11.841 3.580 1.00 75.34 C ATOM 0 H ALA A 21 6.897 10.060 4.256 1.00 62.43 H new ATOM 0 HA ALA A 21 6.918 12.985 4.157 1.00 15.40 H new ATOM 0 HB1 ALA A 21 4.515 12.682 3.655 1.00 75.34 H new ATOM 0 HB2 ALA A 21 5.545 11.741 2.549 1.00 75.34 H new ATOM 0 HB3 ALA A 21 4.697 10.926 3.885 1.00 75.34 H new ATOM 282 N PRO A 22 6.051 13.555 6.396 1.00 75.31 N ATOM 283 CA PRO A 22 5.652 13.926 7.758 1.00 40.14 C ATOM 284 C PRO A 22 4.140 13.880 7.950 1.00 12.21 C ATOM 285 O PRO A 22 3.416 13.306 7.137 1.00 63.24 O ATOM 286 CB PRO A 22 6.166 15.361 7.900 1.00 41.31 C ATOM 287 CG PRO A 22 6.225 15.882 6.505 1.00 74.12 C ATOM 288 CD PRO A 22 6.573 14.705 5.638 1.00 61.33 C ATOM 0 HA PRO A 22 6.055 13.239 8.503 1.00 40.14 H new ATOM 0 HB2 PRO A 22 5.499 15.961 8.519 1.00 41.31 H new ATOM 0 HB3 PRO A 22 7.148 15.385 8.373 1.00 41.31 H new ATOM 0 HG2 PRO A 22 5.269 16.315 6.210 1.00 74.12 H new ATOM 0 HG3 PRO A 22 6.974 16.669 6.414 1.00 74.12 H new ATOM 0 HD2 PRO A 22 6.111 14.781 4.654 1.00 61.33 H new ATOM 0 HD3 PRO A 22 7.649 14.627 5.480 1.00 61.33 H new ATOM 293 N LYS A 23 3.667 14.491 9.032 1.00 51.13 N ATOM 294 CA LYS A 23 2.241 14.521 9.332 1.00 32.11 C ATOM 295 C LYS A 23 1.438 14.962 8.112 1.00 44.30 C ATOM 296 O LYS A 23 0.448 14.327 7.746 1.00 61.23 O ATOM 297 CB LYS A 23 1.965 15.467 10.503 1.00 11.14 C ATOM 298 CG LYS A 23 2.380 14.902 11.852 1.00 63.03 C ATOM 299 CD LYS A 23 3.771 15.365 12.247 1.00 24.14 C ATOM 300 CE LYS A 23 3.939 15.399 13.759 1.00 44.53 C ATOM 301 NZ LYS A 23 3.706 16.761 14.312 1.00 12.44 N ATOM 0 H LYS A 23 4.252 14.972 9.716 1.00 51.13 H new ATOM 0 HA LYS A 23 1.932 13.512 9.605 1.00 32.11 H new ATOM 0 HB2 LYS A 23 2.493 16.405 10.333 1.00 11.14 H new ATOM 0 HB3 LYS A 23 0.901 15.700 10.528 1.00 11.14 H new ATOM 0 HG2 LYS A 23 1.663 15.211 12.613 1.00 63.03 H new ATOM 0 HG3 LYS A 23 2.355 13.813 11.814 1.00 63.03 H new ATOM 0 HD2 LYS A 23 4.515 14.698 11.812 1.00 24.14 H new ATOM 0 HD3 LYS A 23 3.955 16.358 11.837 1.00 24.14 H new ATOM 0 HE2 LYS A 23 3.243 14.697 14.218 1.00 44.53 H new ATOM 0 HE3 LYS A 23 4.944 15.068 14.020 1.00 44.53 H new ATOM 0 HZ1 LYS A 23 3.830 16.742 15.344 1.00 12.44 H new ATOM 0 HZ2 LYS A 23 4.387 17.427 13.894 1.00 12.44 H new ATOM 0 HZ3 LYS A 23 2.738 17.067 14.085 1.00 12.44 H new ATOM 311 N LYS A 24 1.871 16.050 7.484 1.00 2.22 N ATOM 312 CA LYS A 24 1.195 16.573 6.303 1.00 72.20 C ATOM 313 C LYS A 24 2.030 16.334 5.049 1.00 74.44 C ATOM 314 O LYS A 24 3.259 16.263 5.095 1.00 64.34 O ATOM 315 CB LYS A 24 0.920 18.068 6.469 1.00 74.42 C ATOM 316 CG LYS A 24 2.066 18.830 7.112 1.00 64.51 C ATOM 317 CD LYS A 24 3.295 18.848 6.219 1.00 22.41 C ATOM 318 CE LYS A 24 4.075 20.146 6.371 1.00 0.50 C ATOM 319 NZ LYS A 24 4.933 20.138 7.588 1.00 65.54 N ATOM 0 H LYS A 24 2.688 16.587 7.774 1.00 2.22 H new ATOM 0 HA LYS A 24 0.247 16.046 6.193 1.00 72.20 H new ATOM 0 HB2 LYS A 24 0.710 18.501 5.491 1.00 74.42 H new ATOM 0 HB3 LYS A 24 0.023 18.199 7.074 1.00 74.42 H new ATOM 0 HG2 LYS A 24 1.752 19.853 7.321 1.00 64.51 H new ATOM 0 HG3 LYS A 24 2.317 18.372 8.069 1.00 64.51 H new ATOM 0 HD2 LYS A 24 3.939 18.004 6.467 1.00 22.41 H new ATOM 0 HD3 LYS A 24 2.993 18.723 5.179 1.00 22.41 H new ATOM 0 HE2 LYS A 24 4.697 20.301 5.489 1.00 0.50 H new ATOM 0 HE3 LYS A 24 3.380 20.984 6.422 1.00 0.50 H new ATOM 0 HZ1 LYS A 24 5.448 21.039 7.656 1.00 65.54 H new ATOM 0 HZ2 LYS A 24 4.338 20.015 8.432 1.00 65.54 H new ATOM 0 HZ3 LYS A 24 5.614 19.354 7.528 1.00 65.54 H new ATOM 366 N ARG A 28 5.001 16.627 -3.977 1.00 64.52 N ATOM 367 CA ARG A 28 4.294 15.599 -4.732 1.00 51.32 C ATOM 368 C ARG A 28 4.899 14.222 -4.474 1.00 23.20 C ATOM 369 O ARG A 28 6.120 14.068 -4.425 1.00 61.33 O ATOM 370 CB ARG A 28 4.338 15.915 -6.228 1.00 42.54 C ATOM 371 CG ARG A 28 3.277 16.908 -6.673 1.00 13.11 C ATOM 372 CD ARG A 28 3.669 17.599 -7.970 1.00 4.30 C ATOM 373 NE ARG A 28 2.577 17.605 -8.939 1.00 64.31 N ATOM 374 CZ ARG A 28 2.216 16.541 -9.647 1.00 33.45 C ATOM 375 NH1 ARG A 28 2.859 15.391 -9.496 1.00 3.41 N ATOM 376 NH2 ARG A 28 1.211 16.626 -10.509 1.00 61.12 N ATOM 0 HA ARG A 28 3.256 15.589 -4.400 1.00 51.32 H new ATOM 0 HB2 ARG A 28 5.322 16.312 -6.478 1.00 42.54 H new ATOM 0 HB3 ARG A 28 4.215 14.989 -6.790 1.00 42.54 H new ATOM 0 HG2 ARG A 28 2.327 16.391 -6.808 1.00 13.11 H new ATOM 0 HG3 ARG A 28 3.126 17.654 -5.893 1.00 13.11 H new ATOM 0 HD2 ARG A 28 3.970 18.625 -7.757 1.00 4.30 H new ATOM 0 HD3 ARG A 28 4.534 17.096 -8.402 1.00 4.30 H new ATOM 0 HE ARG A 28 2.063 18.475 -9.080 1.00 64.31 H new ATOM 0 HH11 ARG A 28 3.633 15.322 -8.835 1.00 3.41 H new ATOM 0 HH12 ARG A 28 2.580 14.575 -10.041 1.00 3.41 H new ATOM 0 HH21 ARG A 28 0.715 17.509 -10.628 1.00 61.12 H new ATOM 0 HH22 ARG A 28 0.935 15.808 -11.052 1.00 61.12 H new ATOM 387 N LEU A 29 4.037 13.226 -4.307 1.00 63.05 N ATOM 388 CA LEU A 29 4.485 11.861 -4.053 1.00 53.40 C ATOM 389 C LEU A 29 3.695 10.862 -4.892 1.00 64.20 C ATOM 390 O LEU A 29 2.582 11.151 -5.331 1.00 11.24 O ATOM 391 CB LEU A 29 4.340 11.523 -2.567 1.00 55.05 C ATOM 392 CG LEU A 29 3.142 12.147 -1.852 1.00 23.41 C ATOM 393 CD1 LEU A 29 1.846 11.775 -2.557 1.00 43.31 C ATOM 394 CD2 LEU A 29 3.103 11.708 -0.395 1.00 72.33 C ATOM 0 H LEU A 29 3.024 13.337 -4.343 1.00 63.05 H new ATOM 0 HA LEU A 29 5.536 11.793 -4.335 1.00 53.40 H new ATOM 0 HB2 LEU A 29 4.274 10.440 -2.466 1.00 55.05 H new ATOM 0 HB3 LEU A 29 5.249 11.837 -2.053 1.00 55.05 H new ATOM 0 HG LEU A 29 3.250 13.231 -1.882 1.00 23.41 H new ATOM 0 HD11 LEU A 29 1.004 12.228 -2.034 1.00 43.31 H new ATOM 0 HD12 LEU A 29 1.873 12.139 -3.584 1.00 43.31 H new ATOM 0 HD13 LEU A 29 1.731 10.691 -2.559 1.00 43.31 H new ATOM 0 HD21 LEU A 29 2.244 12.162 0.099 1.00 72.33 H new ATOM 0 HD22 LEU A 29 3.019 10.622 -0.344 1.00 72.33 H new ATOM 0 HD23 LEU A 29 4.018 12.025 0.105 1.00 72.33 H new ATOM 405 N GLU A 30 4.277 9.687 -5.109 1.00 42.31 N ATOM 406 CA GLU A 30 3.624 8.645 -5.894 1.00 73.25 C ATOM 407 C GLU A 30 3.446 7.374 -5.070 1.00 50.32 C ATOM 408 O GLU A 30 4.273 7.054 -4.215 1.00 64.14 O ATOM 409 CB GLU A 30 4.438 8.341 -7.154 1.00 32.34 C ATOM 410 CG GLU A 30 3.586 7.957 -8.352 1.00 75.21 C ATOM 411 CD GLU A 30 4.152 8.474 -9.660 1.00 31.34 C ATOM 412 OE1 GLU A 30 5.371 8.317 -9.883 1.00 20.43 O ATOM 413 OE2 GLU A 30 3.375 9.035 -10.460 1.00 73.41 O ATOM 0 H GLU A 30 5.198 9.433 -4.753 1.00 42.31 H new ATOM 0 HA GLU A 30 2.638 9.008 -6.185 1.00 73.25 H new ATOM 0 HB2 GLU A 30 5.036 9.216 -7.410 1.00 32.34 H new ATOM 0 HB3 GLU A 30 5.134 7.530 -6.939 1.00 32.34 H new ATOM 0 HG2 GLU A 30 3.502 6.871 -8.401 1.00 75.21 H new ATOM 0 HG3 GLU A 30 2.578 8.349 -8.217 1.00 75.21 H new ATOM 418 N TRP A 31 2.363 6.652 -5.333 1.00 62.33 N ATOM 419 CA TRP A 31 2.074 5.416 -4.616 1.00 42.33 C ATOM 420 C TRP A 31 1.966 4.241 -5.580 1.00 3.41 C ATOM 421 O TRP A 31 1.436 4.375 -6.683 1.00 25.12 O ATOM 422 CB TRP A 31 0.779 5.557 -3.815 1.00 51.01 C ATOM 423 CG TRP A 31 0.855 6.597 -2.740 1.00 61.14 C ATOM 424 CD1 TRP A 31 1.219 7.905 -2.888 1.00 53.44 C ATOM 425 CD2 TRP A 31 0.561 6.416 -1.350 1.00 3.20 C ATOM 426 NE1 TRP A 31 1.171 8.548 -1.675 1.00 44.32 N ATOM 427 CE2 TRP A 31 0.768 7.657 -0.717 1.00 3.53 C ATOM 428 CE3 TRP A 31 0.140 5.329 -0.581 1.00 14.52 C ATOM 429 CZ2 TRP A 31 0.570 7.836 0.651 1.00 62.13 C ATOM 430 CZ3 TRP A 31 -0.055 5.508 0.775 1.00 1.22 C ATOM 431 CH2 TRP A 31 0.159 6.753 1.379 1.00 23.51 C ATOM 0 H TRP A 31 1.670 6.902 -6.038 1.00 62.33 H new ATOM 0 HA TRP A 31 2.897 5.223 -3.928 1.00 42.33 H new ATOM 0 HB2 TRP A 31 -0.035 5.807 -4.495 1.00 51.01 H new ATOM 0 HB3 TRP A 31 0.533 4.596 -3.364 1.00 51.01 H new ATOM 0 HD1 TRP A 31 1.503 8.366 -3.822 1.00 53.44 H new ATOM 0 HE1 TRP A 31 1.399 9.529 -1.514 1.00 44.32 H new ATOM 0 HE3 TRP A 31 -0.030 4.365 -1.038 1.00 14.52 H new ATOM 0 HZ2 TRP A 31 0.735 8.795 1.119 1.00 62.13 H new ATOM 0 HZ3 TRP A 31 -0.378 4.673 1.379 1.00 1.22 H new ATOM 0 HH2 TRP A 31 -0.004 6.861 2.441 1.00 23.51 H new ATOM 441 N LYS A 32 2.471 3.086 -5.159 1.00 10.35 N ATOM 442 CA LYS A 32 2.431 1.884 -5.985 1.00 34.13 C ATOM 443 C LYS A 32 2.077 0.660 -5.145 1.00 75.40 C ATOM 444 O LYS A 32 2.557 0.506 -4.020 1.00 64.24 O ATOM 445 CB LYS A 32 3.778 1.671 -6.677 1.00 5.23 C ATOM 446 CG LYS A 32 3.657 1.084 -8.072 1.00 51.34 C ATOM 447 CD LYS A 32 4.613 1.755 -9.043 1.00 75.14 C ATOM 448 CE LYS A 32 4.241 3.212 -9.275 1.00 1.20 C ATOM 449 NZ LYS A 32 5.173 4.140 -8.577 1.00 21.35 N ATOM 0 H LYS A 32 2.914 2.957 -4.249 1.00 10.35 H new ATOM 0 HA LYS A 32 1.659 2.018 -6.743 1.00 34.13 H new ATOM 0 HB2 LYS A 32 4.301 2.625 -6.737 1.00 5.23 H new ATOM 0 HB3 LYS A 32 4.391 1.009 -6.065 1.00 5.23 H new ATOM 0 HG2 LYS A 32 3.864 0.014 -8.037 1.00 51.34 H new ATOM 0 HG3 LYS A 32 2.634 1.199 -8.429 1.00 51.34 H new ATOM 0 HD2 LYS A 32 5.629 1.695 -8.654 1.00 75.14 H new ATOM 0 HD3 LYS A 32 4.603 1.220 -9.993 1.00 75.14 H new ATOM 0 HE2 LYS A 32 4.251 3.424 -10.344 1.00 1.20 H new ATOM 0 HE3 LYS A 32 3.224 3.387 -8.925 1.00 1.20 H new ATOM 0 HZ1 LYS A 32 4.626 4.833 -8.028 1.00 21.35 H new ATOM 0 HZ2 LYS A 32 5.787 3.598 -7.936 1.00 21.35 H new ATOM 0 HZ3 LYS A 32 5.758 4.638 -9.279 1.00 21.35 H new ATOM 459 N LEU A 33 1.239 -0.209 -5.700 1.00 63.01 N ATOM 460 CA LEU A 33 0.824 -1.422 -5.003 1.00 21.53 C ATOM 461 C LEU A 33 0.792 -2.612 -5.956 1.00 14.53 C ATOM 462 O LEU A 33 0.227 -2.533 -7.045 1.00 53.24 O ATOM 463 CB LEU A 33 -0.555 -1.224 -4.371 1.00 73.22 C ATOM 464 CG LEU A 33 -1.234 -2.482 -3.831 1.00 13.42 C ATOM 465 CD1 LEU A 33 -1.859 -3.279 -4.965 1.00 4.52 C ATOM 466 CD2 LEU A 33 -0.237 -3.338 -3.062 1.00 34.55 C ATOM 0 H LEU A 33 0.834 -0.097 -6.629 1.00 63.01 H new ATOM 0 HA LEU A 33 1.551 -1.627 -4.217 1.00 21.53 H new ATOM 0 HB2 LEU A 33 -0.459 -0.509 -3.554 1.00 73.22 H new ATOM 0 HB3 LEU A 33 -1.211 -0.772 -5.115 1.00 73.22 H new ATOM 0 HG LEU A 33 -2.026 -2.179 -3.147 1.00 13.42 H new ATOM 0 HD11 LEU A 33 -2.338 -4.171 -4.562 1.00 4.52 H new ATOM 0 HD12 LEU A 33 -2.603 -2.666 -5.473 1.00 4.52 H new ATOM 0 HD13 LEU A 33 -1.085 -3.572 -5.674 1.00 4.52 H new ATOM 0 HD21 LEU A 33 -0.738 -4.230 -2.685 1.00 34.55 H new ATOM 0 HD22 LEU A 33 0.577 -3.632 -3.724 1.00 34.55 H new ATOM 0 HD23 LEU A 33 0.165 -2.766 -2.226 1.00 34.55 H new ATOM 477 N ASN A 34 1.401 -3.717 -5.534 1.00 64.20 N ATOM 478 CA ASN A 34 1.439 -4.926 -6.349 1.00 55.43 C ATOM 479 C ASN A 34 0.696 -6.068 -5.665 1.00 34.12 C ATOM 480 O ASN A 34 1.038 -6.468 -4.551 1.00 32.44 O ATOM 481 CB ASN A 34 2.890 -5.335 -6.620 1.00 24.11 C ATOM 482 CG ASN A 34 3.437 -4.717 -7.892 1.00 1.33 C ATOM 483 OD1 ASN A 34 3.316 -3.400 -8.009 1.00 53.31 O flip ATOM 484 ND2 ASN A 34 3.962 -5.417 -8.758 1.00 43.13 N flip ATOM 0 H ASN A 34 1.874 -3.799 -4.634 1.00 64.20 H new ATOM 0 HA ASN A 34 0.944 -4.712 -7.296 1.00 55.43 H new ATOM 0 HB2 ASN A 34 3.513 -5.035 -5.777 1.00 24.11 H new ATOM 0 HB3 ASN A 34 2.951 -6.421 -6.691 1.00 24.11 H new ATOM 0 HD21 ASN A 34 4.033 -6.426 -8.625 1.00 43.13 H new ATOM 0 HD22 ASN A 34 4.326 -4.988 -9.609 1.00 43.13 H new ATOM 490 N THR A 35 -0.323 -6.591 -6.339 1.00 32.31 N ATOM 491 CA THR A 35 -1.116 -7.687 -5.796 1.00 44.41 C ATOM 492 C THR A 35 -1.461 -8.704 -6.878 1.00 21.34 C ATOM 493 O THR A 35 -1.092 -8.539 -8.040 1.00 31.54 O ATOM 494 CB THR A 35 -2.419 -7.173 -5.155 1.00 72.01 C ATOM 495 OG1 THR A 35 -3.167 -6.410 -6.108 1.00 63.34 O ATOM 496 CG2 THR A 35 -2.121 -6.317 -3.935 1.00 21.25 C ATOM 0 H THR A 35 -0.619 -6.273 -7.262 1.00 32.31 H new ATOM 0 HA THR A 35 -0.508 -8.168 -5.030 1.00 44.41 H new ATOM 0 HB THR A 35 -3.006 -8.035 -4.839 1.00 72.01 H new ATOM 0 HG1 THR A 35 -3.994 -6.089 -5.693 1.00 63.34 H new ATOM 0 HG21 THR A 35 -3.057 -5.966 -3.500 1.00 21.25 H new ATOM 0 HG22 THR A 35 -1.578 -6.910 -3.199 1.00 21.25 H new ATOM 0 HG23 THR A 35 -1.514 -5.461 -4.231 1.00 21.25 H new ATOM 504 N GLY A 36 -2.174 -9.757 -6.488 1.00 42.22 N ATOM 505 CA GLY A 36 -2.558 -10.785 -7.438 1.00 23.13 C ATOM 506 C GLY A 36 -1.428 -11.748 -7.738 1.00 11.43 C ATOM 507 O GLY A 36 -0.781 -12.261 -6.824 1.00 25.35 O ATOM 0 H GLY A 36 -2.492 -9.916 -5.532 1.00 42.22 H new ATOM 0 HA2 GLY A 36 -3.409 -11.340 -7.044 1.00 23.13 H new ATOM 0 HA3 GLY A 36 -2.886 -10.315 -8.365 1.00 23.13 H new ATOM 511 N ARG A 37 -1.189 -11.998 -9.020 1.00 60.33 N ATOM 512 CA ARG A 37 -0.131 -12.909 -9.438 1.00 44.24 C ATOM 513 C ARG A 37 0.984 -12.154 -10.157 1.00 51.44 C ATOM 514 O ARG A 37 2.166 -12.459 -9.987 1.00 63.21 O ATOM 515 CB ARG A 37 -0.695 -13.997 -10.353 1.00 3.34 C ATOM 516 CG ARG A 37 -1.720 -14.892 -9.674 1.00 53.40 C ATOM 517 CD ARG A 37 -1.075 -15.767 -8.610 1.00 44.44 C ATOM 518 NE ARG A 37 0.001 -16.590 -9.157 1.00 0.12 N ATOM 519 CZ ARG A 37 -0.205 -17.693 -9.865 1.00 45.14 C ATOM 520 NH1 ARG A 37 -1.441 -18.106 -10.114 1.00 61.41 N ATOM 521 NH2 ARG A 37 0.826 -18.389 -10.328 1.00 62.04 N ATOM 0 H ARG A 37 -1.715 -11.582 -9.789 1.00 60.33 H new ATOM 0 HA ARG A 37 0.285 -13.375 -8.545 1.00 44.24 H new ATOM 0 HB2 ARG A 37 -1.155 -13.527 -11.222 1.00 3.34 H new ATOM 0 HB3 ARG A 37 0.126 -14.613 -10.720 1.00 3.34 H new ATOM 0 HG2 ARG A 37 -2.497 -14.278 -9.220 1.00 53.40 H new ATOM 0 HG3 ARG A 37 -2.206 -15.522 -10.419 1.00 53.40 H new ATOM 0 HD2 ARG A 37 -0.680 -15.137 -7.813 1.00 44.44 H new ATOM 0 HD3 ARG A 37 -1.832 -16.411 -8.162 1.00 44.44 H new ATOM 0 HE ARG A 37 0.964 -16.301 -8.985 1.00 0.12 H new ATOM 0 HH11 ARG A 37 -2.237 -17.575 -9.761 1.00 61.41 H new ATOM 0 HH12 ARG A 37 -1.595 -18.954 -10.659 1.00 61.41 H new ATOM 0 HH21 ARG A 37 1.778 -18.076 -10.140 1.00 62.04 H new ATOM 0 HH22 ARG A 37 0.666 -19.237 -10.872 1.00 62.04 H new ATOM 532 N THR A 38 0.602 -11.167 -10.962 1.00 1.23 N ATOM 533 CA THR A 38 1.568 -10.370 -11.707 1.00 52.10 C ATOM 534 C THR A 38 0.870 -9.312 -12.554 1.00 5.41 C ATOM 535 O THR A 38 1.415 -8.234 -12.789 1.00 41.51 O ATOM 536 CB THR A 38 2.437 -11.253 -12.623 1.00 23.13 C ATOM 537 OG1 THR A 38 3.563 -10.507 -13.096 1.00 33.11 O ATOM 538 CG2 THR A 38 1.629 -11.767 -13.805 1.00 13.40 C ATOM 0 H THR A 38 -0.371 -10.901 -11.114 1.00 1.23 H new ATOM 0 HA THR A 38 2.208 -9.880 -10.973 1.00 52.10 H new ATOM 0 HB THR A 38 2.785 -12.108 -12.043 1.00 23.13 H new ATOM 0 HG1 THR A 38 4.111 -11.075 -13.676 1.00 33.11 H new ATOM 0 HG21 THR A 38 2.264 -12.388 -14.437 1.00 13.40 H new ATOM 0 HG22 THR A 38 0.789 -12.359 -13.442 1.00 13.40 H new ATOM 0 HG23 THR A 38 1.254 -10.923 -14.384 1.00 13.40 H new ATOM 546 N GLU A 39 -0.340 -9.627 -13.008 1.00 53.11 N ATOM 547 CA GLU A 39 -1.110 -8.701 -13.830 1.00 2.23 C ATOM 548 C GLU A 39 -2.208 -8.030 -13.009 1.00 41.25 C ATOM 549 O GLU A 39 -3.290 -7.742 -13.519 1.00 20.14 O ATOM 550 CB GLU A 39 -1.727 -9.435 -15.023 1.00 11.01 C ATOM 551 CG GLU A 39 -0.704 -9.900 -16.046 1.00 32.21 C ATOM 552 CD GLU A 39 -1.185 -11.089 -16.853 1.00 70.24 C ATOM 553 OE1 GLU A 39 -2.079 -10.903 -17.706 1.00 21.44 O ATOM 554 OE2 GLU A 39 -0.671 -12.205 -16.634 1.00 35.22 O ATOM 0 H GLU A 39 -0.807 -10.514 -12.821 1.00 53.11 H new ATOM 0 HA GLU A 39 -0.432 -7.931 -14.198 1.00 2.23 H new ATOM 0 HB2 GLU A 39 -2.283 -10.299 -14.659 1.00 11.01 H new ATOM 0 HB3 GLU A 39 -2.445 -8.777 -15.512 1.00 11.01 H new ATOM 0 HG2 GLU A 39 -0.472 -9.077 -16.722 1.00 32.21 H new ATOM 0 HG3 GLU A 39 0.222 -10.163 -15.535 1.00 32.21 H new ATOM 559 N ALA A 40 -1.921 -7.787 -11.735 1.00 23.53 N ATOM 560 CA ALA A 40 -2.881 -7.149 -10.842 1.00 63.25 C ATOM 561 C ALA A 40 -2.299 -5.884 -10.222 1.00 60.22 C ATOM 562 O ALA A 40 -2.996 -5.144 -9.529 1.00 3.14 O ATOM 563 CB ALA A 40 -3.318 -8.120 -9.756 1.00 42.43 C ATOM 0 H ALA A 40 -1.030 -8.022 -11.297 1.00 23.53 H new ATOM 0 HA ALA A 40 -3.753 -6.864 -11.431 1.00 63.25 H new ATOM 0 HB1 ALA A 40 -4.035 -7.630 -9.097 1.00 42.43 H new ATOM 0 HB2 ALA A 40 -3.784 -8.992 -10.214 1.00 42.43 H new ATOM 0 HB3 ALA A 40 -2.449 -8.434 -9.178 1.00 42.43 H new ATOM 569 N TRP A 41 -1.018 -5.643 -10.474 1.00 44.03 N ATOM 570 CA TRP A 41 -0.341 -4.468 -9.939 1.00 64.30 C ATOM 571 C TRP A 41 -0.955 -3.186 -10.496 1.00 10.03 C ATOM 572 O TRP A 41 -1.143 -3.051 -11.704 1.00 60.22 O ATOM 573 CB TRP A 41 1.152 -4.518 -10.268 1.00 60.04 C ATOM 574 CG TRP A 41 1.445 -4.325 -11.726 1.00 12.11 C ATOM 575 CD1 TRP A 41 1.114 -5.170 -12.746 1.00 4.30 C ATOM 576 CD2 TRP A 41 2.130 -3.221 -12.323 1.00 73.45 C ATOM 577 NE1 TRP A 41 1.552 -4.656 -13.943 1.00 1.44 N ATOM 578 CE2 TRP A 41 2.178 -3.460 -13.711 1.00 34.22 C ATOM 579 CE3 TRP A 41 2.706 -2.049 -11.821 1.00 41.14 C ATOM 580 CZ2 TRP A 41 2.781 -2.572 -14.598 1.00 45.35 C ATOM 581 CZ3 TRP A 41 3.304 -1.170 -12.705 1.00 20.14 C ATOM 582 CH2 TRP A 41 3.337 -1.435 -14.081 1.00 32.53 C ATOM 0 H TRP A 41 -0.427 -6.246 -11.046 1.00 44.03 H new ATOM 0 HA TRP A 41 -0.466 -4.469 -8.856 1.00 64.30 H new ATOM 0 HB2 TRP A 41 1.669 -3.748 -9.696 1.00 60.04 H new ATOM 0 HB3 TRP A 41 1.556 -5.478 -9.947 1.00 60.04 H new ATOM 0 HD1 TRP A 41 0.586 -6.105 -12.629 1.00 4.30 H new ATOM 0 HE1 TRP A 41 1.431 -5.094 -14.856 1.00 1.44 H new ATOM 0 HE3 TRP A 41 2.684 -1.835 -10.763 1.00 41.14 H new ATOM 0 HZ2 TRP A 41 2.809 -2.775 -15.658 1.00 45.35 H new ATOM 0 HZ3 TRP A 41 3.754 -0.263 -12.329 1.00 20.14 H new ATOM 0 HH2 TRP A 41 3.811 -0.728 -14.745 1.00 32.53 H new ATOM 592 N LYS A 42 -1.263 -2.249 -9.606 1.00 42.30 N ATOM 593 CA LYS A 42 -1.854 -0.978 -10.007 1.00 71.32 C ATOM 594 C LYS A 42 -1.125 0.191 -9.354 1.00 54.01 C ATOM 595 O LYS A 42 -0.463 0.028 -8.328 1.00 20.43 O ATOM 596 CB LYS A 42 -3.337 -0.941 -9.634 1.00 73.30 C ATOM 597 CG LYS A 42 -3.961 -2.317 -9.483 1.00 1.01 C ATOM 598 CD LYS A 42 -3.824 -2.838 -8.061 1.00 61.33 C ATOM 599 CE LYS A 42 -4.641 -2.008 -7.083 1.00 41.43 C ATOM 600 NZ LYS A 42 -6.044 -1.826 -7.545 1.00 11.02 N ATOM 0 H LYS A 42 -1.113 -2.346 -8.602 1.00 42.30 H new ATOM 0 HA LYS A 42 -1.756 -0.886 -11.089 1.00 71.32 H new ATOM 0 HB2 LYS A 42 -3.454 -0.394 -8.699 1.00 73.30 H new ATOM 0 HB3 LYS A 42 -3.881 -0.386 -10.398 1.00 73.30 H new ATOM 0 HG2 LYS A 42 -5.016 -2.271 -9.755 1.00 1.01 H new ATOM 0 HG3 LYS A 42 -3.484 -3.012 -10.174 1.00 1.01 H new ATOM 0 HD2 LYS A 42 -4.151 -3.877 -8.020 1.00 61.33 H new ATOM 0 HD3 LYS A 42 -2.775 -2.822 -7.766 1.00 61.33 H new ATOM 0 HE2 LYS A 42 -4.640 -2.493 -6.107 1.00 41.43 H new ATOM 0 HE3 LYS A 42 -4.172 -1.033 -6.955 1.00 41.43 H new ATOM 0 HZ1 LYS A 42 -6.638 -1.533 -6.743 1.00 11.02 H new ATOM 0 HZ2 LYS A 42 -6.074 -1.094 -8.284 1.00 11.02 H new ATOM 0 HZ3 LYS A 42 -6.401 -2.723 -7.931 1.00 11.02 H new ATOM 610 N VAL A 43 -1.251 1.371 -9.954 1.00 51.30 N ATOM 611 CA VAL A 43 -0.605 2.569 -9.428 1.00 52.21 C ATOM 612 C VAL A 43 -1.540 3.331 -8.495 1.00 73.22 C ATOM 613 O VAL A 43 -2.638 3.727 -8.887 1.00 73.30 O ATOM 614 CB VAL A 43 -0.152 3.506 -10.562 1.00 52.44 C ATOM 615 CG1 VAL A 43 0.571 4.718 -9.997 1.00 71.31 C ATOM 616 CG2 VAL A 43 0.734 2.759 -11.548 1.00 23.03 C ATOM 0 H VAL A 43 -1.794 1.523 -10.804 1.00 51.30 H new ATOM 0 HA VAL A 43 0.271 2.238 -8.870 1.00 52.21 H new ATOM 0 HB VAL A 43 -1.036 3.856 -11.095 1.00 52.44 H new ATOM 0 HG11 VAL A 43 0.884 5.369 -10.814 1.00 71.31 H new ATOM 0 HG12 VAL A 43 -0.099 5.265 -9.334 1.00 71.31 H new ATOM 0 HG13 VAL A 43 1.448 4.391 -9.438 1.00 71.31 H new ATOM 0 HG21 VAL A 43 1.045 3.437 -12.343 1.00 23.03 H new ATOM 0 HG22 VAL A 43 1.614 2.379 -11.030 1.00 23.03 H new ATOM 0 HG23 VAL A 43 0.178 1.926 -11.978 1.00 23.03 H new ATOM 626 N LEU A 44 -1.096 3.536 -7.261 1.00 31.25 N ATOM 627 CA LEU A 44 -1.892 4.253 -6.271 1.00 72.21 C ATOM 628 C LEU A 44 -1.625 5.753 -6.341 1.00 30.34 C ATOM 629 O LEU A 44 -0.515 6.182 -6.654 1.00 22.21 O ATOM 630 CB LEU A 44 -1.584 3.734 -4.865 1.00 40.44 C ATOM 631 CG LEU A 44 -2.448 2.572 -4.375 1.00 31.12 C ATOM 632 CD1 LEU A 44 -3.859 3.049 -4.067 1.00 75.11 C ATOM 633 CD2 LEU A 44 -2.474 1.454 -5.406 1.00 44.44 C ATOM 0 H LEU A 44 -0.189 3.216 -6.921 1.00 31.25 H new ATOM 0 HA LEU A 44 -2.945 4.079 -6.493 1.00 72.21 H new ATOM 0 HB2 LEU A 44 -0.540 3.422 -4.835 1.00 40.44 H new ATOM 0 HB3 LEU A 44 -1.690 4.561 -4.163 1.00 40.44 H new ATOM 0 HG LEU A 44 -2.010 2.181 -3.457 1.00 31.12 H new ATOM 0 HD11 LEU A 44 -4.460 2.208 -3.720 1.00 75.11 H new ATOM 0 HD12 LEU A 44 -3.823 3.814 -3.292 1.00 75.11 H new ATOM 0 HD13 LEU A 44 -4.307 3.467 -4.969 1.00 75.11 H new ATOM 0 HD21 LEU A 44 -3.094 0.636 -5.040 1.00 44.44 H new ATOM 0 HD22 LEU A 44 -2.887 1.831 -6.342 1.00 44.44 H new ATOM 0 HD23 LEU A 44 -1.460 1.093 -5.577 1.00 44.44 H new ATOM 644 N SER A 45 -2.651 6.546 -6.043 1.00 53.42 N ATOM 645 CA SER A 45 -2.527 7.999 -6.074 1.00 62.42 C ATOM 646 C SER A 45 -2.956 8.609 -4.742 1.00 53.24 C ATOM 647 O SER A 45 -3.817 8.082 -4.038 1.00 50.11 O ATOM 648 CB SER A 45 -3.371 8.580 -7.209 1.00 71.23 C ATOM 649 OG SER A 45 -3.893 9.851 -6.859 1.00 1.23 O ATOM 0 H SER A 45 -3.576 6.207 -5.778 1.00 53.42 H new ATOM 0 HA SER A 45 -1.480 8.246 -6.247 1.00 62.42 H new ATOM 0 HB2 SER A 45 -2.763 8.669 -8.109 1.00 71.23 H new ATOM 0 HB3 SER A 45 -4.190 7.899 -7.443 1.00 71.23 H new ATOM 0 HG SER A 45 -4.427 10.201 -7.602 1.00 1.23 H new ATOM 772 N ALA A 56 -9.147 0.687 -1.895 1.00 72.50 N ATOM 773 CA ALA A 56 -8.893 1.526 -0.732 1.00 14.50 C ATOM 774 C ALA A 56 -8.669 2.979 -1.138 1.00 2.00 C ATOM 775 O ALA A 56 -8.619 3.299 -2.326 1.00 42.32 O ATOM 776 CB ALA A 56 -7.691 1.003 0.044 1.00 5.00 C ATOM 0 HA ALA A 56 -9.773 1.488 -0.090 1.00 14.50 H new ATOM 0 HB1 ALA A 56 -7.512 1.640 0.911 1.00 5.00 H new ATOM 0 HB2 ALA A 56 -7.888 -0.016 0.377 1.00 5.00 H new ATOM 0 HB3 ALA A 56 -6.811 1.011 -0.599 1.00 5.00 H new ATOM 782 N ARG A 57 -8.536 3.852 -0.147 1.00 1.43 N ATOM 783 CA ARG A 57 -8.320 5.271 -0.402 1.00 62.32 C ATOM 784 C ARG A 57 -7.044 5.758 0.278 1.00 41.44 C ATOM 785 O ARG A 57 -6.479 5.070 1.128 1.00 61.51 O ATOM 786 CB ARG A 57 -9.516 6.087 0.092 1.00 72.40 C ATOM 787 CG ARG A 57 -10.324 5.392 1.175 1.00 1.43 C ATOM 788 CD ARG A 57 -9.497 5.174 2.433 1.00 20.41 C ATOM 789 NE ARG A 57 -9.479 6.358 3.288 1.00 1.14 N ATOM 790 CZ ARG A 57 -10.509 6.740 4.035 1.00 53.11 C ATOM 791 NH1 ARG A 57 -11.632 6.035 4.034 1.00 51.31 N ATOM 792 NH2 ARG A 57 -10.415 7.830 4.787 1.00 24.12 N ATOM 0 H ARG A 57 -8.574 3.602 0.841 1.00 1.43 H new ATOM 0 HA ARG A 57 -8.213 5.409 -1.478 1.00 62.32 H new ATOM 0 HB2 ARG A 57 -9.159 7.043 0.475 1.00 72.40 H new ATOM 0 HB3 ARG A 57 -10.169 6.305 -0.753 1.00 72.40 H new ATOM 0 HG2 ARG A 57 -11.203 5.990 1.415 1.00 1.43 H new ATOM 0 HG3 ARG A 57 -10.683 4.432 0.803 1.00 1.43 H new ATOM 0 HD2 ARG A 57 -9.902 4.330 2.991 1.00 20.41 H new ATOM 0 HD3 ARG A 57 -8.476 4.912 2.155 1.00 20.41 H new ATOM 0 HE ARG A 57 -8.630 6.922 3.313 1.00 1.14 H new ATOM 0 HH11 ARG A 57 -11.707 5.196 3.458 1.00 51.31 H new ATOM 0 HH12 ARG A 57 -12.421 6.331 4.609 1.00 51.31 H new ATOM 0 HH21 ARG A 57 -9.552 8.374 4.791 1.00 24.12 H new ATOM 0 HH22 ARG A 57 -11.206 8.124 5.361 1.00 24.12 H new ATOM 803 N VAL A 58 -6.593 6.949 -0.105 1.00 1.25 N ATOM 804 CA VAL A 58 -5.383 7.528 0.467 1.00 22.34 C ATOM 805 C VAL A 58 -5.716 8.694 1.391 1.00 21.41 C ATOM 806 O VAL A 58 -6.450 9.609 1.014 1.00 73.41 O ATOM 807 CB VAL A 58 -4.421 8.016 -0.631 1.00 73.24 C ATOM 808 CG1 VAL A 58 -3.273 8.808 -0.024 1.00 11.43 C ATOM 809 CG2 VAL A 58 -3.899 6.841 -1.442 1.00 54.33 C ATOM 0 H VAL A 58 -7.047 7.531 -0.809 1.00 1.25 H new ATOM 0 HA VAL A 58 -4.896 6.740 1.042 1.00 22.34 H new ATOM 0 HB VAL A 58 -4.970 8.676 -1.302 1.00 73.24 H new ATOM 0 HG11 VAL A 58 -2.604 9.144 -0.816 1.00 11.43 H new ATOM 0 HG12 VAL A 58 -3.669 9.673 0.508 1.00 11.43 H new ATOM 0 HG13 VAL A 58 -2.722 8.175 0.672 1.00 11.43 H new ATOM 0 HG21 VAL A 58 -3.220 7.204 -2.214 1.00 54.33 H new ATOM 0 HG22 VAL A 58 -3.366 6.153 -0.785 1.00 54.33 H new ATOM 0 HG23 VAL A 58 -4.735 6.322 -1.910 1.00 54.33 H new ATOM 819 N LEU A 59 -5.174 8.657 2.602 1.00 52.41 N ATOM 820 CA LEU A 59 -5.412 9.711 3.582 1.00 21.22 C ATOM 821 C LEU A 59 -4.736 11.010 3.158 1.00 70.24 C ATOM 822 O LEU A 59 -3.781 11.018 2.381 1.00 21.33 O ATOM 823 CB LEU A 59 -4.899 9.282 4.957 1.00 71.32 C ATOM 824 CG LEU A 59 -5.758 8.261 5.706 1.00 22.15 C ATOM 825 CD1 LEU A 59 -5.012 7.724 6.918 1.00 62.52 C ATOM 826 CD2 LEU A 59 -7.083 8.883 6.125 1.00 75.41 C ATOM 0 H LEU A 59 -4.565 7.907 2.930 1.00 52.41 H new ATOM 0 HA LEU A 59 -6.487 9.883 3.640 1.00 21.22 H new ATOM 0 HB2 LEU A 59 -3.899 8.866 4.836 1.00 71.32 H new ATOM 0 HB3 LEU A 59 -4.801 10.171 5.580 1.00 71.32 H new ATOM 0 HG LEU A 59 -5.967 7.428 5.035 1.00 22.15 H new ATOM 0 HD11 LEU A 59 -5.638 6.999 7.439 1.00 62.52 H new ATOM 0 HD12 LEU A 59 -4.090 7.241 6.593 1.00 62.52 H new ATOM 0 HD13 LEU A 59 -4.772 8.547 7.592 1.00 62.52 H new ATOM 0 HD21 LEU A 59 -7.681 8.142 6.656 1.00 75.41 H new ATOM 0 HD22 LEU A 59 -6.895 9.734 6.779 1.00 75.41 H new ATOM 0 HD23 LEU A 59 -7.624 9.218 5.240 1.00 75.41 H new ATOM 837 N PRO A 60 -5.242 12.139 3.679 1.00 11.42 N ATOM 838 CA PRO A 60 -4.701 13.465 3.371 1.00 74.20 C ATOM 839 C PRO A 60 -3.320 13.685 3.981 1.00 51.01 C ATOM 840 O PRO A 60 -2.552 14.526 3.516 1.00 63.21 O ATOM 841 CB PRO A 60 -5.720 14.419 3.999 1.00 62.43 C ATOM 842 CG PRO A 60 -6.355 13.630 5.092 1.00 70.13 C ATOM 843 CD PRO A 60 -6.379 12.205 4.611 1.00 23.52 C ATOM 0 HA PRO A 60 -4.565 13.610 2.299 1.00 74.20 H new ATOM 0 HB2 PRO A 60 -5.236 15.315 4.387 1.00 62.43 H new ATOM 0 HB3 PRO A 60 -6.458 14.747 3.267 1.00 62.43 H new ATOM 0 HG2 PRO A 60 -5.788 13.720 6.019 1.00 70.13 H new ATOM 0 HG3 PRO A 60 -7.363 13.990 5.299 1.00 70.13 H new ATOM 0 HD2 PRO A 60 -6.264 11.501 5.435 1.00 23.52 H new ATOM 0 HD3 PRO A 60 -7.319 11.964 4.115 1.00 23.52 H new ATOM 848 N ASN A 61 -3.012 12.923 5.025 1.00 31.02 N ATOM 849 CA ASN A 61 -1.723 13.034 5.699 1.00 41.22 C ATOM 850 C ASN A 61 -0.655 12.226 4.969 1.00 1.13 C ATOM 851 O ASN A 61 0.499 12.178 5.392 1.00 1.33 O ATOM 852 CB ASN A 61 -1.839 12.557 7.148 1.00 11.24 C ATOM 853 CG ASN A 61 -2.560 11.227 7.263 1.00 72.25 C ATOM 854 OD1 ASN A 61 -2.620 10.457 6.305 1.00 53.43 O ATOM 855 ND2 ASN A 61 -3.113 10.953 8.439 1.00 30.42 N ATOM 0 H ASN A 61 -3.637 12.222 5.423 1.00 31.02 H new ATOM 0 HA ASN A 61 -1.427 14.083 5.692 1.00 41.22 H new ATOM 0 HB2 ASN A 61 -0.842 12.465 7.578 1.00 11.24 H new ATOM 0 HB3 ASN A 61 -2.371 13.307 7.733 1.00 11.24 H new ATOM 0 HD21 ASN A 61 -3.612 10.074 8.575 1.00 30.42 H new ATOM 0 HD22 ASN A 61 -3.038 11.621 9.206 1.00 30.42 H new ATOM 861 N GLY A 62 -1.050 11.592 3.869 1.00 13.11 N ATOM 862 CA GLY A 62 -0.115 10.795 3.096 1.00 12.15 C ATOM 863 C GLY A 62 -0.095 9.342 3.532 1.00 34.20 C ATOM 864 O GLY A 62 0.927 8.667 3.411 1.00 43.22 O ATOM 0 H GLY A 62 -2.000 11.616 3.499 1.00 13.11 H new ATOM 0 HA2 GLY A 62 -0.380 10.851 2.040 1.00 12.15 H new ATOM 0 HA3 GLY A 62 0.886 11.215 3.196 1.00 12.15 H new ATOM 868 N SER A 63 -1.224 8.863 4.040 1.00 65.20 N ATOM 869 CA SER A 63 -1.330 7.484 4.500 1.00 43.21 C ATOM 870 C SER A 63 -2.286 6.687 3.615 1.00 34.03 C ATOM 871 O SER A 63 -2.862 7.221 2.668 1.00 54.01 O ATOM 872 CB SER A 63 -1.810 7.443 5.953 1.00 52.21 C ATOM 873 OG SER A 63 -0.749 7.729 6.848 1.00 10.13 O ATOM 0 H SER A 63 -2.079 9.409 4.144 1.00 65.20 H new ATOM 0 HA SER A 63 -0.341 7.030 4.438 1.00 43.21 H new ATOM 0 HB2 SER A 63 -2.614 8.165 6.094 1.00 52.21 H new ATOM 0 HB3 SER A 63 -2.223 6.459 6.176 1.00 52.21 H new ATOM 0 HG SER A 63 -1.081 7.698 7.769 1.00 10.13 H new ATOM 878 N LEU A 64 -2.447 5.407 3.933 1.00 63.21 N ATOM 879 CA LEU A 64 -3.332 4.536 3.168 1.00 60.43 C ATOM 880 C LEU A 64 -4.279 3.776 4.090 1.00 54.11 C ATOM 881 O LEU A 64 -3.848 3.149 5.059 1.00 63.44 O ATOM 882 CB LEU A 64 -2.513 3.550 2.334 1.00 41.25 C ATOM 883 CG LEU A 64 -3.211 2.240 1.966 1.00 52.12 C ATOM 884 CD1 LEU A 64 -4.448 2.513 1.124 1.00 50.22 C ATOM 885 CD2 LEU A 64 -2.254 1.316 1.227 1.00 2.40 C ATOM 0 H LEU A 64 -1.977 4.950 4.714 1.00 63.21 H new ATOM 0 HA LEU A 64 -3.927 5.160 2.501 1.00 60.43 H new ATOM 0 HB2 LEU A 64 -2.210 4.048 1.413 1.00 41.25 H new ATOM 0 HB3 LEU A 64 -1.601 3.311 2.882 1.00 41.25 H new ATOM 0 HG LEU A 64 -3.524 1.746 2.886 1.00 52.12 H new ATOM 0 HD11 LEU A 64 -4.932 1.569 0.872 1.00 50.22 H new ATOM 0 HD12 LEU A 64 -5.142 3.137 1.688 1.00 50.22 H new ATOM 0 HD13 LEU A 64 -4.158 3.029 0.208 1.00 50.22 H new ATOM 0 HD21 LEU A 64 -2.767 0.389 0.973 1.00 2.40 H new ATOM 0 HD22 LEU A 64 -1.911 1.803 0.314 1.00 2.40 H new ATOM 0 HD23 LEU A 64 -1.398 1.094 1.864 1.00 2.40 H new ATOM 896 N PHE A 65 -5.571 3.834 3.782 1.00 12.11 N ATOM 897 CA PHE A 65 -6.579 3.149 4.584 1.00 41.13 C ATOM 898 C PHE A 65 -7.431 2.228 3.715 1.00 70.30 C ATOM 899 O PHE A 65 -7.936 2.635 2.667 1.00 51.10 O ATOM 900 CB PHE A 65 -7.471 4.167 5.297 1.00 61.21 C ATOM 901 CG PHE A 65 -8.456 3.541 6.243 1.00 33.00 C ATOM 902 CD1 PHE A 65 -9.673 3.066 5.784 1.00 41.23 C ATOM 903 CD2 PHE A 65 -8.164 3.429 7.593 1.00 30.10 C ATOM 904 CE1 PHE A 65 -10.581 2.489 6.651 1.00 33.35 C ATOM 905 CE2 PHE A 65 -9.067 2.854 8.466 1.00 64.40 C ATOM 906 CZ PHE A 65 -10.279 2.384 7.995 1.00 35.11 C ATOM 0 H PHE A 65 -5.944 4.348 2.984 1.00 12.11 H new ATOM 0 HA PHE A 65 -6.065 2.542 5.329 1.00 41.13 H new ATOM 0 HB2 PHE A 65 -6.842 4.865 5.849 1.00 61.21 H new ATOM 0 HB3 PHE A 65 -8.014 4.748 4.551 1.00 61.21 H new ATOM 0 HD1 PHE A 65 -9.916 3.148 4.735 1.00 41.23 H new ATOM 0 HD2 PHE A 65 -7.219 3.796 7.967 1.00 30.10 H new ATOM 0 HE1 PHE A 65 -11.525 2.121 6.279 1.00 33.35 H new ATOM 0 HE2 PHE A 65 -8.826 2.772 9.516 1.00 64.40 H new ATOM 0 HZ PHE A 65 -10.988 1.936 8.676 1.00 35.11 H new ATOM 915 N LEU A 66 -7.586 0.985 4.157 1.00 23.42 N ATOM 916 CA LEU A 66 -8.377 0.006 3.420 1.00 43.21 C ATOM 917 C LEU A 66 -9.608 -0.411 4.218 1.00 2.34 C ATOM 918 O LEU A 66 -9.522 -0.787 5.387 1.00 23.30 O ATOM 919 CB LEU A 66 -7.526 -1.224 3.094 1.00 64.42 C ATOM 920 CG LEU A 66 -6.299 -0.976 2.215 1.00 12.34 C ATOM 921 CD1 LEU A 66 -5.025 -1.324 2.968 1.00 63.41 C ATOM 922 CD2 LEU A 66 -6.395 -1.781 0.927 1.00 14.20 C ATOM 0 H LEU A 66 -7.175 0.632 5.021 1.00 23.42 H new ATOM 0 HA LEU A 66 -8.709 0.468 2.490 1.00 43.21 H new ATOM 0 HB2 LEU A 66 -7.193 -1.670 4.031 1.00 64.42 H new ATOM 0 HB3 LEU A 66 -8.160 -1.959 2.599 1.00 64.42 H new ATOM 0 HG LEU A 66 -6.268 0.083 1.958 1.00 12.34 H new ATOM 0 HD11 LEU A 66 -4.162 -1.141 2.327 1.00 63.41 H new ATOM 0 HD12 LEU A 66 -4.950 -0.705 3.862 1.00 63.41 H new ATOM 0 HD13 LEU A 66 -5.048 -2.375 3.255 1.00 63.41 H new ATOM 0 HD21 LEU A 66 -5.514 -1.593 0.314 1.00 14.20 H new ATOM 0 HD22 LEU A 66 -6.451 -2.843 1.165 1.00 14.20 H new ATOM 0 HD23 LEU A 66 -7.289 -1.485 0.378 1.00 14.20 H new ATOM 933 N PRO A 67 -10.783 -0.348 3.571 1.00 2.55 N ATOM 934 CA PRO A 67 -12.053 -0.718 4.201 1.00 5.43 C ATOM 935 C PRO A 67 -12.161 -2.219 4.452 1.00 72.44 C ATOM 936 O PRO A 67 -12.744 -2.651 5.446 1.00 42.12 O ATOM 937 CB PRO A 67 -13.099 -0.271 3.178 1.00 21.41 C ATOM 938 CG PRO A 67 -12.382 -0.285 1.872 1.00 44.31 C ATOM 939 CD PRO A 67 -10.958 0.090 2.177 1.00 65.04 C ATOM 0 HA PRO A 67 -12.171 -0.257 5.182 1.00 5.43 H new ATOM 0 HB2 PRO A 67 -13.955 -0.945 3.167 1.00 21.41 H new ATOM 0 HB3 PRO A 67 -13.480 0.724 3.410 1.00 21.41 H new ATOM 0 HG2 PRO A 67 -12.435 -1.270 1.408 1.00 44.31 H new ATOM 0 HG3 PRO A 67 -12.830 0.421 1.173 1.00 44.31 H new ATOM 0 HD2 PRO A 67 -10.258 -0.410 1.507 1.00 65.04 H new ATOM 0 HD3 PRO A 67 -10.792 1.162 2.068 1.00 65.04 H new ATOM 944 N ALA A 68 -11.595 -3.007 3.545 1.00 1.32 N ATOM 945 CA ALA A 68 -11.625 -4.459 3.670 1.00 51.35 C ATOM 946 C ALA A 68 -10.720 -5.119 2.635 1.00 51.21 C ATOM 947 O ALA A 68 -11.093 -5.261 1.470 1.00 14.32 O ATOM 948 CB ALA A 68 -13.052 -4.971 3.528 1.00 3.34 C ATOM 0 H ALA A 68 -11.110 -2.665 2.715 1.00 1.32 H new ATOM 0 HA ALA A 68 -11.252 -4.721 4.660 1.00 51.35 H new ATOM 0 HB1 ALA A 68 -13.060 -6.057 3.623 1.00 3.34 H new ATOM 0 HB2 ALA A 68 -13.675 -4.534 4.308 1.00 3.34 H new ATOM 0 HB3 ALA A 68 -13.444 -4.690 2.551 1.00 3.34 H new ATOM 954 N VAL A 69 -9.528 -5.518 3.066 1.00 13.52 N ATOM 955 CA VAL A 69 -8.569 -6.163 2.177 1.00 23.21 C ATOM 956 C VAL A 69 -8.987 -7.594 1.863 1.00 43.44 C ATOM 957 O VAL A 69 -8.992 -8.458 2.738 1.00 62.40 O ATOM 958 CB VAL A 69 -7.156 -6.177 2.790 1.00 74.42 C ATOM 959 CG1 VAL A 69 -6.572 -4.771 2.818 1.00 62.10 C ATOM 960 CG2 VAL A 69 -7.188 -6.777 4.187 1.00 53.43 C ATOM 0 H VAL A 69 -9.203 -5.406 4.026 1.00 13.52 H new ATOM 0 HA VAL A 69 -8.552 -5.581 1.255 1.00 23.21 H new ATOM 0 HB VAL A 69 -6.514 -6.799 2.166 1.00 74.42 H new ATOM 0 HG11 VAL A 69 -5.574 -4.800 3.254 1.00 62.10 H new ATOM 0 HG12 VAL A 69 -6.513 -4.381 1.802 1.00 62.10 H new ATOM 0 HG13 VAL A 69 -7.211 -4.123 3.418 1.00 62.10 H new ATOM 0 HG21 VAL A 69 -6.181 -6.779 4.605 1.00 53.43 H new ATOM 0 HG22 VAL A 69 -7.844 -6.183 4.823 1.00 53.43 H new ATOM 0 HG23 VAL A 69 -7.562 -7.800 4.135 1.00 53.43 H new ATOM 970 N GLY A 70 -9.339 -7.839 0.603 1.00 40.41 N ATOM 971 CA GLY A 70 -9.754 -9.168 0.194 1.00 31.43 C ATOM 972 C GLY A 70 -8.581 -10.055 -0.171 1.00 11.40 C ATOM 973 O GLY A 70 -7.455 -9.578 -0.319 1.00 4.14 O ATOM 0 H GLY A 70 -9.344 -7.141 -0.140 1.00 40.41 H new ATOM 0 HA2 GLY A 70 -10.320 -9.633 1.001 1.00 31.43 H new ATOM 0 HA3 GLY A 70 -10.425 -9.089 -0.661 1.00 31.43 H new ATOM 977 N ILE A 71 -8.843 -11.350 -0.317 1.00 23.42 N ATOM 978 CA ILE A 71 -7.799 -12.306 -0.667 1.00 25.14 C ATOM 979 C ILE A 71 -7.081 -11.891 -1.946 1.00 53.10 C ATOM 980 O ILE A 71 -5.897 -12.175 -2.123 1.00 51.14 O ATOM 981 CB ILE A 71 -8.372 -13.723 -0.850 1.00 2.43 C ATOM 982 CG1 ILE A 71 -7.364 -14.770 -0.373 1.00 12.44 C ATOM 983 CG2 ILE A 71 -8.742 -13.961 -2.306 1.00 43.01 C ATOM 984 CD1 ILE A 71 -7.316 -16.005 -1.245 1.00 42.30 C ATOM 0 H ILE A 71 -9.769 -11.761 -0.198 1.00 23.42 H new ATOM 0 HA ILE A 71 -7.088 -12.314 0.160 1.00 25.14 H new ATOM 0 HB ILE A 71 -9.275 -13.814 -0.247 1.00 2.43 H new ATOM 0 HG12 ILE A 71 -6.372 -14.319 -0.341 1.00 12.44 H new ATOM 0 HG13 ILE A 71 -7.613 -15.065 0.646 1.00 12.44 H new ATOM 0 HG21 ILE A 71 -9.146 -14.967 -2.419 1.00 43.01 H new ATOM 0 HG22 ILE A 71 -9.492 -13.232 -2.615 1.00 43.01 H new ATOM 0 HG23 ILE A 71 -7.854 -13.854 -2.929 1.00 43.01 H new ATOM 0 HD11 ILE A 71 -6.580 -16.703 -0.847 1.00 42.30 H new ATOM 0 HD12 ILE A 71 -8.297 -16.480 -1.258 1.00 42.30 H new ATOM 0 HD13 ILE A 71 -7.036 -15.723 -2.260 1.00 42.30 H new ATOM 995 N GLN A 72 -7.806 -11.215 -2.832 1.00 50.44 N ATOM 996 CA GLN A 72 -7.236 -10.761 -4.096 1.00 3.03 C ATOM 997 C GLN A 72 -6.341 -9.545 -3.882 1.00 54.34 C ATOM 998 O GLN A 72 -5.466 -9.254 -4.699 1.00 1.52 O ATOM 999 CB GLN A 72 -8.349 -10.421 -5.088 1.00 54.21 C ATOM 1000 CG GLN A 72 -8.938 -11.638 -5.783 1.00 13.23 C ATOM 1001 CD GLN A 72 -10.294 -11.360 -6.397 1.00 25.32 C ATOM 1002 OE1 GLN A 72 -10.482 -11.501 -7.606 1.00 44.42 O ATOM 1003 NE2 GLN A 72 -11.251 -10.962 -5.566 1.00 42.34 N ATOM 0 H GLN A 72 -8.787 -10.970 -2.699 1.00 50.44 H new ATOM 0 HA GLN A 72 -6.630 -11.569 -4.504 1.00 3.03 H new ATOM 0 HB2 GLN A 72 -9.144 -9.893 -4.562 1.00 54.21 H new ATOM 0 HB3 GLN A 72 -7.957 -9.737 -5.841 1.00 54.21 H new ATOM 0 HG2 GLN A 72 -8.253 -11.974 -6.562 1.00 13.23 H new ATOM 0 HG3 GLN A 72 -9.029 -12.453 -5.065 1.00 13.23 H new ATOM 0 HE21 GLN A 72 -11.052 -10.858 -4.571 1.00 42.34 H new ATOM 0 HE22 GLN A 72 -12.185 -10.760 -5.923 1.00 42.34 H new ATOM 1010 N ASP A 73 -6.564 -8.838 -2.780 1.00 30.43 N ATOM 1011 CA ASP A 73 -5.777 -7.652 -2.459 1.00 55.11 C ATOM 1012 C ASP A 73 -4.403 -8.041 -1.924 1.00 5.44 C ATOM 1013 O ASP A 73 -3.569 -7.182 -1.642 1.00 22.33 O ATOM 1014 CB ASP A 73 -6.512 -6.788 -1.433 1.00 5.41 C ATOM 1015 CG ASP A 73 -7.265 -5.640 -2.075 1.00 54.11 C ATOM 1016 OD1 ASP A 73 -8.189 -5.907 -2.871 1.00 61.33 O ATOM 1017 OD2 ASP A 73 -6.929 -4.474 -1.782 1.00 73.05 O ATOM 0 H ASP A 73 -7.283 -9.065 -2.093 1.00 30.43 H new ATOM 0 HA ASP A 73 -5.641 -7.077 -3.375 1.00 55.11 H new ATOM 0 HB2 ASP A 73 -7.211 -7.409 -0.874 1.00 5.41 H new ATOM 0 HB3 ASP A 73 -5.794 -6.391 -0.715 1.00 5.41 H new ATOM 1021 N GLU A 74 -4.175 -9.345 -1.784 1.00 22.21 N ATOM 1022 CA GLU A 74 -2.902 -9.848 -1.280 1.00 34.40 C ATOM 1023 C GLU A 74 -1.749 -9.402 -2.173 1.00 63.43 C ATOM 1024 O GLU A 74 -1.879 -9.354 -3.396 1.00 31.00 O ATOM 1025 CB GLU A 74 -2.932 -11.375 -1.189 1.00 70.43 C ATOM 1026 CG GLU A 74 -3.107 -12.061 -2.534 1.00 22.34 C ATOM 1027 CD GLU A 74 -1.793 -12.529 -3.126 1.00 65.01 C ATOM 1028 OE1 GLU A 74 -1.120 -13.366 -2.488 1.00 43.11 O ATOM 1029 OE2 GLU A 74 -1.437 -12.060 -4.228 1.00 30.54 O ATOM 0 H GLU A 74 -4.855 -10.070 -2.012 1.00 22.21 H new ATOM 0 HA GLU A 74 -2.746 -9.435 -0.283 1.00 34.40 H new ATOM 0 HB2 GLU A 74 -2.005 -11.722 -0.731 1.00 70.43 H new ATOM 0 HB3 GLU A 74 -3.745 -11.675 -0.529 1.00 70.43 H new ATOM 0 HG2 GLU A 74 -3.773 -12.916 -2.418 1.00 22.34 H new ATOM 0 HG3 GLU A 74 -3.589 -11.373 -3.228 1.00 22.34 H new ATOM 1034 N GLY A 75 -0.618 -9.075 -1.554 1.00 23.44 N ATOM 1035 CA GLY A 75 0.541 -8.636 -2.308 1.00 72.01 C ATOM 1036 C GLY A 75 1.476 -7.773 -1.483 1.00 71.41 C ATOM 1037 O GLY A 75 1.513 -7.882 -0.257 1.00 64.14 O ATOM 0 H GLY A 75 -0.484 -9.107 -0.543 1.00 23.44 H new ATOM 0 HA2 GLY A 75 1.084 -9.507 -2.674 1.00 72.01 H new ATOM 0 HA3 GLY A 75 0.211 -8.075 -3.183 1.00 72.01 H new ATOM 1041 N ILE A 76 2.232 -6.914 -2.157 1.00 14.11 N ATOM 1042 CA ILE A 76 3.171 -6.029 -1.479 1.00 21.13 C ATOM 1043 C ILE A 76 2.964 -4.579 -1.903 1.00 34.05 C ATOM 1044 O ILE A 76 2.817 -4.282 -3.089 1.00 12.41 O ATOM 1045 CB ILE A 76 4.631 -6.432 -1.763 1.00 33.55 C ATOM 1046 CG1 ILE A 76 4.969 -7.741 -1.047 1.00 45.53 C ATOM 1047 CG2 ILE A 76 5.580 -5.326 -1.329 1.00 74.43 C ATOM 1048 CD1 ILE A 76 4.328 -8.958 -1.679 1.00 62.34 C ATOM 0 H ILE A 76 2.213 -6.812 -3.172 1.00 14.11 H new ATOM 0 HA ILE A 76 2.978 -6.124 -0.410 1.00 21.13 H new ATOM 0 HB ILE A 76 4.748 -6.584 -2.836 1.00 33.55 H new ATOM 0 HG12 ILE A 76 6.051 -7.873 -1.039 1.00 45.53 H new ATOM 0 HG13 ILE A 76 4.649 -7.670 -0.007 1.00 45.53 H new ATOM 0 HG21 ILE A 76 6.607 -5.626 -1.536 1.00 74.43 H new ATOM 0 HG22 ILE A 76 5.351 -4.413 -1.879 1.00 74.43 H new ATOM 0 HG23 ILE A 76 5.463 -5.145 -0.260 1.00 74.43 H new ATOM 0 HD11 ILE A 76 4.611 -9.850 -1.120 1.00 62.34 H new ATOM 0 HD12 ILE A 76 3.244 -8.848 -1.663 1.00 62.34 H new ATOM 0 HD13 ILE A 76 4.667 -9.054 -2.710 1.00 62.34 H new ATOM 1059 N PHE A 77 2.958 -3.678 -0.925 1.00 2.31 N ATOM 1060 CA PHE A 77 2.770 -2.257 -1.197 1.00 3.15 C ATOM 1061 C PHE A 77 4.098 -1.510 -1.123 1.00 53.23 C ATOM 1062 O PHE A 77 4.879 -1.700 -0.190 1.00 64.34 O ATOM 1063 CB PHE A 77 1.776 -1.654 -0.203 1.00 72.34 C ATOM 1064 CG PHE A 77 1.843 -0.155 -0.123 1.00 72.15 C ATOM 1065 CD1 PHE A 77 1.209 0.632 -1.072 1.00 0.41 C ATOM 1066 CD2 PHE A 77 2.541 0.467 0.899 1.00 61.03 C ATOM 1067 CE1 PHE A 77 1.269 2.011 -1.002 1.00 1.32 C ATOM 1068 CE2 PHE A 77 2.603 1.846 0.975 1.00 54.51 C ATOM 1069 CZ PHE A 77 1.968 2.619 0.022 1.00 24.13 C ATOM 0 H PHE A 77 3.081 -3.906 0.061 1.00 2.31 H new ATOM 0 HA PHE A 77 2.371 -2.154 -2.206 1.00 3.15 H new ATOM 0 HB2 PHE A 77 0.766 -1.950 -0.487 1.00 72.34 H new ATOM 0 HB3 PHE A 77 1.965 -2.072 0.786 1.00 72.34 H new ATOM 0 HD1 PHE A 77 0.662 0.162 -1.876 1.00 0.41 H new ATOM 0 HD2 PHE A 77 3.042 -0.132 1.645 1.00 61.03 H new ATOM 0 HE1 PHE A 77 0.770 2.612 -1.747 1.00 1.32 H new ATOM 0 HE2 PHE A 77 3.148 2.319 1.779 1.00 54.51 H new ATOM 0 HZ PHE A 77 2.018 3.696 0.078 1.00 24.13 H new ATOM 1078 N ARG A 78 4.347 -0.659 -2.113 1.00 41.14 N ATOM 1079 CA ARG A 78 5.581 0.116 -2.162 1.00 60.32 C ATOM 1080 C ARG A 78 5.282 1.603 -2.337 1.00 32.14 C ATOM 1081 O ARG A 78 4.491 1.992 -3.197 1.00 52.32 O ATOM 1082 CB ARG A 78 6.472 -0.374 -3.306 1.00 71.52 C ATOM 1083 CG ARG A 78 7.940 -0.483 -2.930 1.00 54.02 C ATOM 1084 CD ARG A 78 8.788 0.518 -3.698 1.00 43.11 C ATOM 1085 NE ARG A 78 9.354 -0.064 -4.913 1.00 73.23 N ATOM 1086 CZ ARG A 78 9.741 0.655 -5.960 1.00 75.20 C ATOM 1087 NH1 ARG A 78 9.625 1.976 -5.941 1.00 63.30 N ATOM 1088 NH2 ARG A 78 10.247 0.054 -7.029 1.00 15.24 N ATOM 0 H ARG A 78 3.711 -0.489 -2.892 1.00 41.14 H new ATOM 0 HA ARG A 78 6.106 -0.023 -1.217 1.00 60.32 H new ATOM 0 HB2 ARG A 78 6.118 -1.349 -3.639 1.00 71.52 H new ATOM 0 HB3 ARG A 78 6.372 0.307 -4.151 1.00 71.52 H new ATOM 0 HG2 ARG A 78 8.056 -0.314 -1.859 1.00 54.02 H new ATOM 0 HG3 ARG A 78 8.295 -1.493 -3.133 1.00 54.02 H new ATOM 0 HD2 ARG A 78 8.179 1.384 -3.960 1.00 43.11 H new ATOM 0 HD3 ARG A 78 9.594 0.877 -3.058 1.00 43.11 H new ATOM 0 HE ARG A 78 9.457 -1.078 -4.959 1.00 73.23 H new ATOM 0 HH11 ARG A 78 9.238 2.442 -5.121 1.00 63.30 H new ATOM 0 HH12 ARG A 78 9.923 2.526 -6.747 1.00 63.30 H new ATOM 0 HH21 ARG A 78 10.339 -0.962 -7.047 1.00 15.24 H new ATOM 0 HH22 ARG A 78 10.544 0.608 -7.833 1.00 15.24 H new ATOM 1099 N CYS A 79 5.920 2.429 -1.515 1.00 31.42 N ATOM 1100 CA CYS A 79 5.722 3.873 -1.576 1.00 53.24 C ATOM 1101 C CYS A 79 7.040 4.590 -1.858 1.00 13.42 C ATOM 1102 O CYS A 79 8.110 4.112 -1.483 1.00 51.13 O ATOM 1103 CB CYS A 79 5.120 4.383 -0.266 1.00 51.32 C ATOM 1104 SG CYS A 79 4.600 6.128 -0.317 1.00 61.35 S ATOM 0 H CYS A 79 6.579 2.124 -0.799 1.00 31.42 H new ATOM 0 HA CYS A 79 5.031 4.086 -2.391 1.00 53.24 H new ATOM 0 HB2 CYS A 79 4.259 3.766 -0.010 1.00 51.32 H new ATOM 0 HB3 CYS A 79 5.852 4.256 0.532 1.00 51.32 H new ATOM 1108 N GLN A 80 6.953 5.741 -2.517 1.00 63.15 N ATOM 1109 CA GLN A 80 8.137 6.523 -2.849 1.00 41.41 C ATOM 1110 C GLN A 80 7.851 8.018 -2.739 1.00 4.52 C ATOM 1111 O GLN A 80 6.886 8.518 -3.318 1.00 33.25 O ATOM 1112 CB GLN A 80 8.620 6.186 -4.261 1.00 60.52 C ATOM 1113 CG GLN A 80 7.501 6.130 -5.289 1.00 5.15 C ATOM 1114 CD GLN A 80 7.965 6.519 -6.678 1.00 21.54 C ATOM 1115 OE1 GLN A 80 8.370 5.668 -7.471 1.00 52.11 O ATOM 1116 NE2 GLN A 80 7.908 7.810 -6.982 1.00 25.42 N ATOM 0 H GLN A 80 6.074 6.152 -2.831 1.00 63.15 H new ATOM 0 HA GLN A 80 8.921 6.268 -2.135 1.00 41.41 H new ATOM 0 HB2 GLN A 80 9.352 6.931 -4.573 1.00 60.52 H new ATOM 0 HB3 GLN A 80 9.132 5.224 -4.241 1.00 60.52 H new ATOM 0 HG2 GLN A 80 7.089 5.121 -5.317 1.00 5.15 H new ATOM 0 HG3 GLN A 80 6.695 6.795 -4.980 1.00 5.15 H new ATOM 0 HE21 GLN A 80 7.566 8.481 -6.295 1.00 25.42 H new ATOM 0 HE22 GLN A 80 8.207 8.131 -7.903 1.00 25.42 H new ATOM 1123 N ALA A 81 8.695 8.724 -1.993 1.00 42.14 N ATOM 1124 CA ALA A 81 8.532 10.161 -1.810 1.00 52.41 C ATOM 1125 C ALA A 81 9.846 10.896 -2.051 1.00 51.51 C ATOM 1126 O ALA A 81 10.918 10.290 -2.049 1.00 24.33 O ATOM 1127 CB ALA A 81 8.007 10.459 -0.414 1.00 1.42 C ATOM 0 H ALA A 81 9.497 8.325 -1.506 1.00 42.14 H new ATOM 0 HA ALA A 81 7.807 10.516 -2.542 1.00 52.41 H new ATOM 0 HB1 ALA A 81 7.890 11.536 -0.291 1.00 1.42 H new ATOM 0 HB2 ALA A 81 7.042 9.971 -0.276 1.00 1.42 H new ATOM 0 HB3 ALA A 81 8.712 10.084 0.328 1.00 1.42 H new ATOM 1133 N MET A 82 9.757 12.206 -2.260 1.00 3.42 N ATOM 1134 CA MET A 82 10.939 13.023 -2.503 1.00 35.41 C ATOM 1135 C MET A 82 10.936 14.261 -1.611 1.00 25.02 C ATOM 1136 O MET A 82 9.974 15.029 -1.603 1.00 14.34 O ATOM 1137 CB MET A 82 11.005 13.440 -3.973 1.00 13.25 C ATOM 1138 CG MET A 82 11.201 12.273 -4.927 1.00 65.12 C ATOM 1139 SD MET A 82 11.915 12.776 -6.504 1.00 11.13 S ATOM 1140 CE MET A 82 13.658 12.511 -6.185 1.00 40.51 C ATOM 0 H MET A 82 8.878 12.724 -2.266 1.00 3.42 H new ATOM 0 HA MET A 82 11.818 12.425 -2.263 1.00 35.41 H new ATOM 0 HB2 MET A 82 10.085 13.963 -4.236 1.00 13.25 H new ATOM 0 HB3 MET A 82 11.823 14.148 -4.105 1.00 13.25 H new ATOM 0 HG2 MET A 82 11.849 11.532 -4.459 1.00 65.12 H new ATOM 0 HG3 MET A 82 10.240 11.790 -5.105 1.00 65.12 H new ATOM 0 HE1 MET A 82 14.247 12.956 -6.987 1.00 40.51 H new ATOM 0 HE2 MET A 82 13.929 12.974 -5.236 1.00 40.51 H new ATOM 0 HE3 MET A 82 13.861 11.441 -6.137 1.00 40.51 H new ATOM 1148 N ASN A 83 12.017 14.447 -0.861 1.00 1.24 N ATOM 1149 CA ASN A 83 12.139 15.591 0.035 1.00 71.20 C ATOM 1150 C ASN A 83 12.706 16.801 -0.702 1.00 20.51 C ATOM 1151 O ASN A 83 13.144 16.694 -1.847 1.00 22.12 O ATOM 1152 CB ASN A 83 13.031 15.241 1.227 1.00 43.01 C ATOM 1153 CG ASN A 83 12.279 14.499 2.315 1.00 63.43 C ATOM 1154 OD1 ASN A 83 11.873 15.089 3.317 1.00 14.30 O ATOM 1155 ND2 ASN A 83 12.089 13.200 2.123 1.00 72.40 N ATOM 0 H ASN A 83 12.821 13.820 -0.856 1.00 1.24 H new ATOM 0 HA ASN A 83 11.143 15.843 0.399 1.00 71.20 H new ATOM 0 HB2 ASN A 83 13.866 14.630 0.885 1.00 43.01 H new ATOM 0 HB3 ASN A 83 13.454 16.156 1.641 1.00 43.01 H new ATOM 0 HD21 ASN A 83 11.589 12.649 2.821 1.00 72.40 H new ATOM 0 HD22 ASN A 83 12.443 12.752 1.278 1.00 72.40 H new ATOM 1161 N ARG A 84 12.692 17.952 -0.035 1.00 55.43 N ATOM 1162 CA ARG A 84 13.206 19.182 -0.627 1.00 3.31 C ATOM 1163 C ARG A 84 14.728 19.148 -0.717 1.00 32.22 C ATOM 1164 O ARG A 84 15.332 19.915 -1.466 1.00 54.22 O ATOM 1165 CB ARG A 84 12.759 20.393 0.196 1.00 55.25 C ATOM 1166 CG ARG A 84 12.951 21.720 -0.521 1.00 4.43 C ATOM 1167 CD ARG A 84 12.966 22.883 0.458 1.00 14.42 C ATOM 1168 NE ARG A 84 14.166 22.883 1.290 1.00 53.24 N ATOM 1169 CZ ARG A 84 14.264 23.539 2.441 1.00 63.20 C ATOM 1170 NH1 ARG A 84 13.236 24.243 2.895 1.00 13.32 N ATOM 1171 NH2 ARG A 84 15.390 23.491 3.142 1.00 45.23 N ATOM 0 H ARG A 84 12.331 18.058 0.913 1.00 55.43 H new ATOM 0 HA ARG A 84 12.803 19.267 -1.636 1.00 3.31 H new ATOM 0 HB2 ARG A 84 11.706 20.278 0.454 1.00 55.25 H new ATOM 0 HB3 ARG A 84 13.317 20.411 1.132 1.00 55.25 H new ATOM 0 HG2 ARG A 84 13.887 21.701 -1.080 1.00 4.43 H new ATOM 0 HG3 ARG A 84 12.149 21.863 -1.246 1.00 4.43 H new ATOM 0 HD2 ARG A 84 12.907 23.822 -0.093 1.00 14.42 H new ATOM 0 HD3 ARG A 84 12.083 22.832 1.095 1.00 14.42 H new ATOM 0 HE ARG A 84 14.974 22.350 0.970 1.00 53.24 H new ATOM 0 HH11 ARG A 84 12.368 24.281 2.360 1.00 13.32 H new ATOM 0 HH12 ARG A 84 13.313 24.746 3.779 1.00 13.32 H new ATOM 0 HH21 ARG A 84 16.183 22.950 2.797 1.00 45.23 H new ATOM 0 HH22 ARG A 84 15.463 23.996 4.025 1.00 45.23 H new ATOM 1182 N ASN A 85 15.342 18.257 0.053 1.00 42.52 N ATOM 1183 CA ASN A 85 16.795 18.124 0.060 1.00 25.50 C ATOM 1184 C ASN A 85 17.288 17.471 -1.227 1.00 5.24 C ATOM 1185 O ASN A 85 18.459 17.586 -1.585 1.00 53.11 O ATOM 1186 CB ASN A 85 17.246 17.300 1.267 1.00 11.35 C ATOM 1187 CG ASN A 85 17.033 18.031 2.579 1.00 33.53 C ATOM 1188 OD1 ASN A 85 16.298 17.566 3.450 1.00 24.31 O ATOM 1189 ND2 ASN A 85 17.676 19.185 2.725 1.00 5.41 N ATOM 0 H ASN A 85 14.857 17.616 0.681 1.00 42.52 H new ATOM 0 HA ASN A 85 17.226 19.123 0.128 1.00 25.50 H new ATOM 0 HB2 ASN A 85 16.698 16.358 1.286 1.00 11.35 H new ATOM 0 HB3 ASN A 85 18.302 17.052 1.160 1.00 11.35 H new ATOM 0 HD21 ASN A 85 17.570 19.723 3.585 1.00 5.41 H new ATOM 0 HD22 ASN A 85 18.275 19.533 1.977 1.00 5.41 H new ATOM 1195 N GLY A 86 16.385 16.784 -1.921 1.00 62.33 N ATOM 1196 CA GLY A 86 16.746 16.123 -3.161 1.00 74.31 C ATOM 1197 C GLY A 86 16.742 14.613 -3.036 1.00 33.54 C ATOM 1198 O GLY A 86 16.693 13.898 -4.039 1.00 34.33 O ATOM 0 H GLY A 86 15.409 16.674 -1.646 1.00 62.33 H new ATOM 0 HA2 GLY A 86 16.049 16.421 -3.944 1.00 74.31 H new ATOM 0 HA3 GLY A 86 17.736 16.456 -3.472 1.00 74.31 H new ATOM 1202 N LYS A 87 16.795 14.122 -1.801 1.00 63.45 N ATOM 1203 CA LYS A 87 16.796 12.687 -1.548 1.00 34.31 C ATOM 1204 C LYS A 87 15.373 12.139 -1.509 1.00 51.22 C ATOM 1205 O LYS A 87 14.448 12.821 -1.067 1.00 52.52 O ATOM 1206 CB LYS A 87 17.507 12.383 -0.228 1.00 12.02 C ATOM 1207 CG LYS A 87 19.013 12.241 -0.367 1.00 4.43 C ATOM 1208 CD LYS A 87 19.653 13.530 -0.857 1.00 5.33 C ATOM 1209 CE LYS A 87 19.428 14.670 0.123 1.00 73.45 C ATOM 1210 NZ LYS A 87 20.560 15.638 0.116 1.00 3.30 N ATOM 0 H LYS A 87 16.838 14.698 -0.960 1.00 63.45 H new ATOM 0 HA LYS A 87 17.331 12.200 -2.363 1.00 34.31 H new ATOM 0 HB2 LYS A 87 17.290 13.179 0.484 1.00 12.02 H new ATOM 0 HB3 LYS A 87 17.101 11.462 0.190 1.00 12.02 H new ATOM 0 HG2 LYS A 87 19.443 11.963 0.595 1.00 4.43 H new ATOM 0 HG3 LYS A 87 19.240 11.434 -1.063 1.00 4.43 H new ATOM 0 HD2 LYS A 87 20.723 13.376 -0.998 1.00 5.33 H new ATOM 0 HD3 LYS A 87 19.238 13.797 -1.829 1.00 5.33 H new ATOM 0 HE2 LYS A 87 18.504 15.190 -0.130 1.00 73.45 H new ATOM 0 HE3 LYS A 87 19.302 14.266 1.127 1.00 73.45 H new ATOM 0 HZ1 LYS A 87 20.369 16.400 0.797 1.00 3.30 H new ATOM 0 HZ2 LYS A 87 21.438 15.148 0.382 1.00 3.30 H new ATOM 0 HZ3 LYS A 87 20.665 16.043 -0.836 1.00 3.30 H new ATOM 1220 N GLU A 88 15.206 10.904 -1.973 1.00 71.44 N ATOM 1221 CA GLU A 88 13.894 10.266 -1.990 1.00 75.50 C ATOM 1222 C GLU A 88 13.791 9.208 -0.896 1.00 63.23 C ATOM 1223 O GLU A 88 14.767 8.528 -0.579 1.00 12.02 O ATOM 1224 CB GLU A 88 13.629 9.631 -3.357 1.00 12.32 C ATOM 1225 CG GLU A 88 14.198 8.230 -3.497 1.00 25.22 C ATOM 1226 CD GLU A 88 15.697 8.183 -3.273 1.00 33.11 C ATOM 1227 OE1 GLU A 88 16.412 9.014 -3.872 1.00 1.33 O ATOM 1228 OE2 GLU A 88 16.156 7.317 -2.499 1.00 13.01 O ATOM 0 H GLU A 88 15.961 10.326 -2.342 1.00 71.44 H new ATOM 0 HA GLU A 88 13.142 11.032 -1.802 1.00 75.50 H new ATOM 0 HB2 GLU A 88 12.553 9.596 -3.530 1.00 12.32 H new ATOM 0 HB3 GLU A 88 14.056 10.267 -4.133 1.00 12.32 H new ATOM 0 HG2 GLU A 88 13.707 7.570 -2.782 1.00 25.22 H new ATOM 0 HG3 GLU A 88 13.971 7.848 -4.492 1.00 25.22 H new ATOM 1233 N THR A 89 12.600 9.076 -0.321 1.00 0.11 N ATOM 1234 CA THR A 89 12.367 8.102 0.739 1.00 22.25 C ATOM 1235 C THR A 89 11.668 6.859 0.200 1.00 51.32 C ATOM 1236 O THR A 89 10.626 6.951 -0.449 1.00 34.42 O ATOM 1237 CB THR A 89 11.518 8.701 1.876 1.00 61.53 C ATOM 1238 OG1 THR A 89 11.563 10.132 1.819 1.00 63.41 O ATOM 1239 CG2 THR A 89 12.017 8.227 3.233 1.00 60.13 C ATOM 0 H THR A 89 11.782 9.631 -0.571 1.00 0.11 H new ATOM 0 HA THR A 89 13.345 7.824 1.133 1.00 22.25 H new ATOM 0 HB THR A 89 10.489 8.364 1.747 1.00 61.53 H new ATOM 0 HG1 THR A 89 12.228 10.464 2.458 1.00 63.41 H new ATOM 0 HG21 THR A 89 11.402 8.663 4.020 1.00 60.13 H new ATOM 0 HG22 THR A 89 11.954 7.140 3.284 1.00 60.13 H new ATOM 0 HG23 THR A 89 13.053 8.538 3.368 1.00 60.13 H new ATOM 1247 N LYS A 90 12.248 5.695 0.474 1.00 41.11 N ATOM 1248 CA LYS A 90 11.680 4.431 0.019 1.00 74.00 C ATOM 1249 C LYS A 90 10.905 3.748 1.140 1.00 54.14 C ATOM 1250 O LYS A 90 11.297 3.809 2.305 1.00 71.31 O ATOM 1251 CB LYS A 90 12.788 3.504 -0.489 1.00 20.35 C ATOM 1252 CG LYS A 90 13.499 2.744 0.618 1.00 65.23 C ATOM 1253 CD LYS A 90 12.861 1.387 0.859 1.00 64.31 C ATOM 1254 CE LYS A 90 12.858 0.539 -0.405 1.00 72.23 C ATOM 1255 NZ LYS A 90 12.693 -0.910 -0.100 1.00 72.44 N ATOM 0 H LYS A 90 13.111 5.601 1.009 1.00 41.11 H new ATOM 0 HA LYS A 90 10.990 4.644 -0.798 1.00 74.00 H new ATOM 0 HB2 LYS A 90 12.359 2.789 -1.192 1.00 20.35 H new ATOM 0 HB3 LYS A 90 13.519 4.094 -1.041 1.00 20.35 H new ATOM 0 HG2 LYS A 90 14.548 2.612 0.355 1.00 65.23 H new ATOM 0 HG3 LYS A 90 13.472 3.329 1.538 1.00 65.23 H new ATOM 0 HD2 LYS A 90 13.402 0.864 1.648 1.00 64.31 H new ATOM 0 HD3 LYS A 90 11.838 1.522 1.210 1.00 64.31 H new ATOM 0 HE2 LYS A 90 12.051 0.867 -1.060 1.00 72.23 H new ATOM 0 HE3 LYS A 90 13.791 0.692 -0.947 1.00 72.23 H new ATOM 0 HZ1 LYS A 90 12.831 -1.465 -0.968 1.00 72.44 H new ATOM 0 HZ2 LYS A 90 13.396 -1.197 0.610 1.00 72.44 H new ATOM 0 HZ3 LYS A 90 11.736 -1.080 0.271 1.00 72.44 H new ATOM 1265 N SER A 91 9.804 3.096 0.780 1.00 41.12 N ATOM 1266 CA SER A 91 8.973 2.402 1.757 1.00 10.30 C ATOM 1267 C SER A 91 8.371 1.135 1.156 1.00 12.03 C ATOM 1268 O SER A 91 7.705 1.181 0.123 1.00 43.00 O ATOM 1269 CB SER A 91 7.858 3.323 2.256 1.00 61.41 C ATOM 1270 OG SER A 91 7.578 3.091 3.625 1.00 64.12 O ATOM 0 H SER A 91 9.467 3.034 -0.181 1.00 41.12 H new ATOM 0 HA SER A 91 9.605 2.119 2.599 1.00 10.30 H new ATOM 0 HB2 SER A 91 8.150 4.363 2.113 1.00 61.41 H new ATOM 0 HB3 SER A 91 6.957 3.161 1.665 1.00 61.41 H new ATOM 0 HG SER A 91 6.610 3.133 3.773 1.00 64.12 H new ATOM 1275 N ASN A 92 8.610 0.005 1.813 1.00 12.41 N ATOM 1276 CA ASN A 92 8.092 -1.275 1.344 1.00 52.42 C ATOM 1277 C ASN A 92 7.354 -2.005 2.460 1.00 22.25 C ATOM 1278 O ASN A 92 7.928 -2.307 3.508 1.00 60.11 O ATOM 1279 CB ASN A 92 9.234 -2.148 0.818 1.00 2.12 C ATOM 1280 CG ASN A 92 8.891 -3.626 0.843 1.00 34.40 C ATOM 1281 OD1 ASN A 92 9.671 -4.447 1.324 1.00 72.20 O ATOM 1282 ND2 ASN A 92 7.718 -3.970 0.324 1.00 74.12 N ATOM 0 H ASN A 92 9.159 -0.051 2.671 1.00 12.41 H new ATOM 0 HA ASN A 92 7.389 -1.079 0.535 1.00 52.42 H new ATOM 0 HB2 ASN A 92 9.474 -1.851 -0.203 1.00 2.12 H new ATOM 0 HB3 ASN A 92 10.127 -1.975 1.419 1.00 2.12 H new ATOM 0 HD21 ASN A 92 7.432 -4.949 0.314 1.00 74.12 H new ATOM 0 HD22 ASN A 92 7.103 -3.255 -0.064 1.00 74.12 H new ATOM 1288 N TYR A 93 6.075 -2.287 2.231 1.00 34.04 N ATOM 1289 CA TYR A 93 5.256 -2.979 3.219 1.00 35.01 C ATOM 1290 C TYR A 93 4.517 -4.154 2.586 1.00 14.04 C ATOM 1291 O TYR A 93 3.689 -3.974 1.693 1.00 21.31 O ATOM 1292 CB TYR A 93 4.252 -2.012 3.848 1.00 35.22 C ATOM 1293 CG TYR A 93 4.866 -1.084 4.873 1.00 52.24 C ATOM 1294 CD1 TYR A 93 5.829 -0.152 4.507 1.00 13.33 C ATOM 1295 CD2 TYR A 93 4.482 -1.140 6.208 1.00 12.10 C ATOM 1296 CE1 TYR A 93 6.393 0.697 5.440 1.00 61.02 C ATOM 1297 CE2 TYR A 93 5.040 -0.294 7.147 1.00 73.04 C ATOM 1298 CZ TYR A 93 5.995 0.622 6.758 1.00 15.32 C ATOM 1299 OH TYR A 93 6.553 1.466 7.690 1.00 11.02 O ATOM 0 H TYR A 93 5.584 -2.047 1.370 1.00 34.04 H new ATOM 0 HA TYR A 93 5.917 -3.363 3.996 1.00 35.01 H new ATOM 0 HB2 TYR A 93 3.792 -1.416 3.060 1.00 35.22 H new ATOM 0 HB3 TYR A 93 3.455 -2.586 4.321 1.00 35.22 H new ATOM 0 HD1 TYR A 93 6.142 -0.090 3.475 1.00 13.33 H new ATOM 0 HD2 TYR A 93 3.735 -1.857 6.516 1.00 12.10 H new ATOM 0 HE1 TYR A 93 7.141 1.415 5.139 1.00 61.02 H new ATOM 0 HE2 TYR A 93 4.730 -0.350 8.180 1.00 73.04 H new ATOM 0 HH TYR A 93 6.009 1.459 8.505 1.00 11.02 H new ATOM 1308 N ARG A 94 4.824 -5.359 3.056 1.00 44.11 N ATOM 1309 CA ARG A 94 4.191 -6.565 2.537 1.00 64.20 C ATOM 1310 C ARG A 94 2.952 -6.923 3.353 1.00 14.53 C ATOM 1311 O ARG A 94 2.983 -6.911 4.584 1.00 23.21 O ATOM 1312 CB ARG A 94 5.180 -7.732 2.551 1.00 65.00 C ATOM 1313 CG ARG A 94 5.856 -7.941 3.895 1.00 12.52 C ATOM 1314 CD ARG A 94 7.371 -7.959 3.759 1.00 75.32 C ATOM 1315 NE ARG A 94 8.015 -8.615 4.895 1.00 20.33 N ATOM 1316 CZ ARG A 94 8.057 -9.932 5.055 1.00 42.20 C ATOM 1317 NH1 ARG A 94 7.497 -10.731 4.156 1.00 2.34 N ATOM 1318 NH2 ARG A 94 8.662 -10.453 6.114 1.00 44.41 N ATOM 0 H ARG A 94 5.507 -5.526 3.795 1.00 44.11 H new ATOM 0 HA ARG A 94 3.884 -6.371 1.509 1.00 64.20 H new ATOM 0 HB2 ARG A 94 4.655 -8.646 2.272 1.00 65.00 H new ATOM 0 HB3 ARG A 94 5.944 -7.559 1.793 1.00 65.00 H new ATOM 0 HG2 ARG A 94 5.560 -7.146 4.580 1.00 12.52 H new ATOM 0 HG3 ARG A 94 5.517 -8.881 4.332 1.00 12.52 H new ATOM 0 HD2 ARG A 94 7.646 -8.475 2.839 1.00 75.32 H new ATOM 0 HD3 ARG A 94 7.740 -6.937 3.674 1.00 75.32 H new ATOM 0 HE ARG A 94 8.456 -8.029 5.604 1.00 20.33 H new ATOM 0 HH11 ARG A 94 7.033 -10.334 3.339 1.00 2.34 H new ATOM 0 HH12 ARG A 94 7.531 -11.743 4.281 1.00 2.34 H new ATOM 0 HH21 ARG A 94 9.095 -9.842 6.806 1.00 44.41 H new ATOM 0 HH22 ARG A 94 8.694 -11.465 6.236 1.00 44.41 H new ATOM 1329 N VAL A 95 1.865 -7.243 2.659 1.00 41.11 N ATOM 1330 CA VAL A 95 0.616 -7.605 3.319 1.00 0.34 C ATOM 1331 C VAL A 95 0.180 -9.015 2.936 1.00 12.53 C ATOM 1332 O VAL A 95 0.297 -9.418 1.778 1.00 42.54 O ATOM 1333 CB VAL A 95 -0.513 -6.617 2.968 1.00 3.42 C ATOM 1334 CG1 VAL A 95 -1.840 -7.100 3.531 1.00 5.13 C ATOM 1335 CG2 VAL A 95 -0.181 -5.225 3.482 1.00 4.51 C ATOM 0 H VAL A 95 1.824 -7.259 1.640 1.00 41.11 H new ATOM 0 HA VAL A 95 0.803 -7.564 4.392 1.00 0.34 H new ATOM 0 HB VAL A 95 -0.604 -6.567 1.883 1.00 3.42 H new ATOM 0 HG11 VAL A 95 -2.625 -6.389 3.273 1.00 5.13 H new ATOM 0 HG12 VAL A 95 -2.081 -8.076 3.109 1.00 5.13 H new ATOM 0 HG13 VAL A 95 -1.767 -7.182 4.615 1.00 5.13 H new ATOM 0 HG21 VAL A 95 -0.989 -4.540 3.225 1.00 4.51 H new ATOM 0 HG22 VAL A 95 -0.062 -5.256 4.565 1.00 4.51 H new ATOM 0 HG23 VAL A 95 0.746 -4.880 3.025 1.00 4.51 H new ATOM 1345 N ARG A 96 -0.321 -9.760 3.914 1.00 5.15 N ATOM 1346 CA ARG A 96 -0.774 -11.127 3.679 1.00 34.24 C ATOM 1347 C ARG A 96 -2.183 -11.334 4.225 1.00 2.53 C ATOM 1348 O ARG A 96 -2.461 -11.034 5.386 1.00 2.33 O ATOM 1349 CB ARG A 96 0.188 -12.123 4.328 1.00 2.43 C ATOM 1350 CG ARG A 96 1.006 -12.923 3.326 1.00 15.03 C ATOM 1351 CD ARG A 96 1.863 -12.014 2.457 1.00 40.11 C ATOM 1352 NE ARG A 96 3.154 -12.619 2.141 1.00 74.54 N ATOM 1353 CZ ARG A 96 4.174 -12.659 2.989 1.00 34.32 C ATOM 1354 NH1 ARG A 96 4.055 -12.133 4.200 1.00 23.33 N ATOM 1355 NH2 ARG A 96 5.318 -13.227 2.627 1.00 74.33 N ATOM 0 H ARG A 96 -0.424 -9.441 4.877 1.00 5.15 H new ATOM 0 HA ARG A 96 -0.792 -11.298 2.603 1.00 34.24 H new ATOM 0 HB2 ARG A 96 0.866 -11.582 4.988 1.00 2.43 H new ATOM 0 HB3 ARG A 96 -0.382 -12.812 4.951 1.00 2.43 H new ATOM 0 HG2 ARG A 96 1.644 -13.629 3.857 1.00 15.03 H new ATOM 0 HG3 ARG A 96 0.338 -13.509 2.694 1.00 15.03 H new ATOM 0 HD2 ARG A 96 1.331 -11.790 1.532 1.00 40.11 H new ATOM 0 HD3 ARG A 96 2.023 -11.066 2.971 1.00 40.11 H new ATOM 0 HE ARG A 96 3.279 -13.034 1.217 1.00 74.54 H new ATOM 0 HH11 ARG A 96 3.178 -11.696 4.482 1.00 23.33 H new ATOM 0 HH12 ARG A 96 4.841 -12.165 4.850 1.00 23.33 H new ATOM 0 HH21 ARG A 96 5.414 -13.633 1.696 1.00 74.33 H new ATOM 0 HH22 ARG A 96 6.101 -13.257 3.280 1.00 74.33 H new ATOM 1366 N VAL A 97 -3.070 -11.849 3.379 1.00 33.12 N ATOM 1367 CA VAL A 97 -4.450 -12.096 3.776 1.00 3.13 C ATOM 1368 C VAL A 97 -4.608 -13.487 4.381 1.00 33.20 C ATOM 1369 O VAL A 97 -3.632 -14.222 4.534 1.00 44.25 O ATOM 1370 CB VAL A 97 -5.412 -11.956 2.582 1.00 74.33 C ATOM 1371 CG1 VAL A 97 -5.246 -10.598 1.918 1.00 43.03 C ATOM 1372 CG2 VAL A 97 -5.184 -13.078 1.579 1.00 14.35 C ATOM 0 H VAL A 97 -2.857 -12.103 2.414 1.00 33.12 H new ATOM 0 HA VAL A 97 -4.702 -11.346 4.526 1.00 3.13 H new ATOM 0 HB VAL A 97 -6.434 -12.031 2.952 1.00 74.33 H new ATOM 0 HG11 VAL A 97 -5.934 -10.518 1.076 1.00 43.03 H new ATOM 0 HG12 VAL A 97 -5.463 -9.811 2.640 1.00 43.03 H new ATOM 0 HG13 VAL A 97 -4.222 -10.490 1.561 1.00 43.03 H new ATOM 0 HG21 VAL A 97 -5.873 -12.963 0.742 1.00 14.35 H new ATOM 0 HG22 VAL A 97 -4.158 -13.036 1.213 1.00 14.35 H new ATOM 0 HG23 VAL A 97 -5.358 -14.039 2.063 1.00 14.35 H new ATOM 1382 N TYR A 98 -5.840 -13.842 4.721 1.00 44.00 N ATOM 1383 CA TYR A 98 -6.126 -15.145 5.312 1.00 60.45 C ATOM 1384 C TYR A 98 -5.798 -16.269 4.334 1.00 53.55 C ATOM 1385 O TYR A 98 -4.740 -16.893 4.422 1.00 44.10 O ATOM 1386 CB TYR A 98 -7.595 -15.230 5.727 1.00 35.24 C ATOM 1387 CG TYR A 98 -8.022 -16.612 6.164 1.00 64.20 C ATOM 1388 CD1 TYR A 98 -7.468 -17.210 7.289 1.00 62.11 C ATOM 1389 CD2 TYR A 98 -8.982 -17.323 5.451 1.00 74.11 C ATOM 1390 CE1 TYR A 98 -7.856 -18.473 7.691 1.00 52.42 C ATOM 1391 CE2 TYR A 98 -9.375 -18.586 5.846 1.00 64.20 C ATOM 1392 CZ TYR A 98 -8.810 -19.157 6.966 1.00 11.55 C ATOM 1393 OH TYR A 98 -9.199 -20.416 7.364 1.00 54.13 O ATOM 0 H TYR A 98 -6.659 -13.246 4.598 1.00 44.00 H new ATOM 0 HA TYR A 98 -5.499 -15.260 6.196 1.00 60.45 H new ATOM 0 HB2 TYR A 98 -7.775 -14.529 6.542 1.00 35.24 H new ATOM 0 HB3 TYR A 98 -8.219 -14.914 4.891 1.00 35.24 H new ATOM 0 HD1 TYR A 98 -6.721 -16.678 7.859 1.00 62.11 H new ATOM 0 HD2 TYR A 98 -9.428 -16.879 4.573 1.00 74.11 H new ATOM 0 HE1 TYR A 98 -7.415 -18.923 8.568 1.00 52.42 H new ATOM 0 HE2 TYR A 98 -10.121 -19.124 5.280 1.00 64.20 H new ATOM 0 HH TYR A 98 -9.879 -20.759 6.747 1.00 54.13 H new ATOM 1402 N GLN A 99 -6.711 -16.520 3.402 1.00 50.22 N ATOM 1403 CA GLN A 99 -6.518 -17.568 2.406 1.00 2.24 C ATOM 1404 C GLN A 99 -5.410 -17.194 1.428 1.00 2.44 C ATOM 1405 O GLN A 99 -5.241 -16.025 1.085 1.00 74.11 O ATOM 1406 CB GLN A 99 -7.821 -17.823 1.646 1.00 44.14 C ATOM 1407 CG GLN A 99 -7.770 -19.047 0.747 1.00 44.33 C ATOM 1408 CD GLN A 99 -7.960 -20.342 1.511 1.00 22.20 C ATOM 1409 OE1 GLN A 99 -6.910 -20.786 2.195 1.00 12.41 O flip ATOM 1410 NE2 GLN A 99 -9.038 -20.938 1.489 1.00 63.51 N flip ATOM 0 H GLN A 99 -7.592 -16.013 3.315 1.00 50.22 H new ATOM 0 HA GLN A 99 -6.224 -18.479 2.927 1.00 2.24 H new ATOM 0 HB2 GLN A 99 -8.633 -17.943 2.363 1.00 44.14 H new ATOM 0 HB3 GLN A 99 -8.057 -16.947 1.041 1.00 44.14 H new ATOM 0 HG2 GLN A 99 -8.543 -18.964 -0.017 1.00 44.33 H new ATOM 0 HG3 GLN A 99 -6.811 -19.073 0.229 1.00 44.33 H new ATOM 0 HE21 GLN A 99 -9.818 -20.561 0.951 1.00 63.51 H new ATOM 0 HE22 GLN A 99 -9.150 -21.808 2.009 1.00 63.51 H new ATOM 1417 N ILE A 100 -4.657 -18.195 0.985 1.00 61.25 N ATOM 1418 CA ILE A 100 -3.564 -17.970 0.047 1.00 62.03 C ATOM 1419 C ILE A 100 -3.765 -18.776 -1.233 1.00 74.13 C ATOM 1420 O ILE A 100 -4.501 -19.762 -1.267 1.00 65.50 O ATOM 1421 CB ILE A 100 -2.204 -18.342 0.666 1.00 13.32 C ATOM 1422 CG1 ILE A 100 -2.404 -19.242 1.887 1.00 14.02 C ATOM 1423 CG2 ILE A 100 -1.434 -17.086 1.046 1.00 42.33 C ATOM 1424 CD1 ILE A 100 -1.108 -19.720 2.504 1.00 4.35 C ATOM 0 H ILE A 100 -4.784 -19.169 1.260 1.00 61.25 H new ATOM 0 HA ILE A 100 -3.566 -16.906 -0.191 1.00 62.03 H new ATOM 0 HB ILE A 100 -1.622 -18.891 -0.074 1.00 13.32 H new ATOM 0 HG12 ILE A 100 -2.976 -18.699 2.639 1.00 14.02 H new ATOM 0 HG13 ILE A 100 -3.000 -20.107 1.597 1.00 14.02 H new ATOM 0 HG21 ILE A 100 -0.475 -17.365 1.482 1.00 42.33 H new ATOM 0 HG22 ILE A 100 -1.265 -16.480 0.156 1.00 42.33 H new ATOM 0 HG23 ILE A 100 -2.010 -16.512 1.772 1.00 42.33 H new ATOM 0 HD11 ILE A 100 -1.326 -20.353 3.364 1.00 4.35 H new ATOM 0 HD12 ILE A 100 -0.543 -20.291 1.767 1.00 4.35 H new ATOM 0 HD13 ILE A 100 -0.519 -18.861 2.826 1.00 4.35 H new ATOM 1435 N PRO A 101 -3.092 -18.348 -2.312 1.00 44.00 N ATOM 1436 CA PRO A 101 -3.179 -19.017 -3.614 1.00 2.22 C ATOM 1437 C PRO A 101 -2.500 -20.383 -3.612 1.00 33.12 C ATOM 1438 O PRO A 101 -1.967 -20.819 -2.592 1.00 71.33 O ATOM 1439 CB PRO A 101 -2.445 -18.058 -4.554 1.00 70.32 C ATOM 1440 CG PRO A 101 -1.504 -17.309 -3.674 1.00 20.33 C ATOM 1441 CD PRO A 101 -2.197 -17.181 -2.345 1.00 74.32 C ATOM 0 HA PRO A 101 -4.212 -19.214 -3.903 1.00 2.22 H new ATOM 0 HB2 PRO A 101 -1.911 -18.600 -5.334 1.00 70.32 H new ATOM 0 HB3 PRO A 101 -3.141 -17.384 -5.054 1.00 70.32 H new ATOM 0 HG2 PRO A 101 -0.558 -17.840 -3.572 1.00 20.33 H new ATOM 0 HG3 PRO A 101 -1.275 -16.328 -4.091 1.00 20.33 H new ATOM 0 HD2 PRO A 101 -1.487 -17.196 -1.519 1.00 74.32 H new ATOM 0 HD3 PRO A 101 -2.753 -16.246 -2.270 1.00 74.32 H new