USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 643 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 109 LYS NZ :NH3+ -166:sc= 1.87 (180deg=1.12) USER MOD Set 1.2: A 127 GLN : amide:sc= 1.91 K(o=3.8,f=-3.8) USER MOD Set 2.1: A 77 SER OG : rot -55:sc= 1.07 USER MOD Set 2.2: A 115 ASN : amide:sc= -0.0124 X(o=1.1,f=0.87) USER MOD Set 3.1: A 76 MET CE :methyl -155:sc= -0.119 (180deg=-0.797) USER MOD Set 3.2: A 81 CYS SG : rot -43:sc= -0.656 USER MOD Set 4.1: A 56 ASN : amide:sc= 0.00915 X(o=-0.036,f=-0.13) USER MOD Set 4.2: A 71 ASN : amide:sc= -0.0454 K(o=-0.036,f=-0.56) USER MOD Set 5.1: A 55 SER OG : rot 180:sc= -0.0069 USER MOD Set 5.2: A 57 THR OG1 : rot -160:sc= 0.877 USER MOD Single : A 64 ASN : amide:sc= -0.554 K(o=-0.55,f=-2.4) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0.959 K(o=0.96,f=-8.2!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0594 USER MOD Single : A 74 ASN : amide:sc= -0.0194 X(o=-0.019,f=-0.26) USER MOD Single : A 79 HIS :FLIP no HE2:sc= -4.31 F(o=-4.9!,f=-4.3) USER MOD Single : A 83 MET CE :methyl 162:sc= 0 (180deg=-0.287) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0327) USER MOD Single : A 92 GLN : amide:sc= -0.0392 X(o=-0.039,f=0) USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot 103:sc= 0.333 USER MOD Single : A 103 HIS : no HD1:sc= 0.944 K(o=0.94,f=-8.3!) USER MOD Single : A 105 HIS : no HE2:sc= -3.77! X(o=-3.8!,f=-3.5) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0123) USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.44 USER MOD Single : A 120 SER OG : rot -31:sc= 0.35 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 55 -12.661 8.185 2.386 1.00 0.00 N ATOM 2 CA SER A 55 -12.451 7.491 1.114 1.00 0.00 C ATOM 3 C SER A 55 -12.605 6.014 1.298 1.00 0.00 C ATOM 4 O SER A 55 -12.851 5.528 2.401 1.00 0.00 O ATOM 5 CB SER A 55 -11.030 7.760 0.586 1.00 0.00 C ATOM 6 OG SER A 55 -10.961 7.482 -0.810 1.00 0.00 O ATOM 0 HA SER A 55 -13.191 7.861 0.404 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.756 8.799 0.771 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.312 7.141 1.123 1.00 0.00 H new ATOM 0 HG SER A 55 -10.053 7.658 -1.134 1.00 0.00 H new ATOM 14 N ASN A 56 -12.454 5.266 0.193 1.00 0.00 N ATOM 15 CA ASN A 56 -12.446 3.835 0.263 1.00 0.00 C ATOM 16 C ASN A 56 -11.396 3.362 -0.693 1.00 0.00 C ATOM 17 O ASN A 56 -11.376 2.195 -1.089 1.00 0.00 O ATOM 18 CB ASN A 56 -13.800 3.185 -0.055 1.00 0.00 C ATOM 19 CG ASN A 56 -14.352 3.807 -1.334 1.00 0.00 C ATOM 20 OD1 ASN A 56 -15.107 4.778 -1.294 1.00 0.00 O ATOM 21 ND2 ASN A 56 -13.957 3.241 -2.502 1.00 0.00 N ATOM 0 H ASN A 56 -12.338 5.647 -0.746 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.233 3.537 1.290 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -13.683 2.108 -0.178 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.496 3.337 0.770 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -14.287 3.620 -3.390 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.330 2.437 -2.493 1.00 0.00 H new ATOM 28 N THR A 57 -10.486 4.283 -1.062 1.00 0.00 N ATOM 29 CA THR A 57 -9.495 3.988 -2.054 1.00 0.00 C ATOM 30 C THR A 57 -8.170 4.419 -1.508 1.00 0.00 C ATOM 31 O THR A 57 -8.086 5.380 -0.740 1.00 0.00 O ATOM 32 CB THR A 57 -9.733 4.722 -3.387 1.00 0.00 C ATOM 33 OG1 THR A 57 -9.553 6.126 -3.225 1.00 0.00 O ATOM 34 CG2 THR A 57 -11.153 4.555 -3.933 1.00 0.00 C ATOM 0 H THR A 57 -10.435 5.226 -0.677 1.00 0.00 H new ATOM 0 HA THR A 57 -9.538 2.920 -2.265 1.00 0.00 H new ATOM 0 HB THR A 57 -9.015 4.279 -4.077 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.001 6.600 -3.957 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.248 5.099 -4.873 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.355 3.498 -4.103 1.00 0.00 H new ATOM 0 HG23 THR A 57 -11.869 4.950 -3.212 1.00 0.00 H new ATOM 42 N ILE A 58 -7.102 3.700 -1.902 1.00 0.00 N ATOM 43 CA ILE A 58 -5.768 4.159 -1.643 1.00 0.00 C ATOM 44 C ILE A 58 -4.983 3.878 -2.883 1.00 0.00 C ATOM 45 O ILE A 58 -5.372 3.037 -3.695 1.00 0.00 O ATOM 46 CB ILE A 58 -5.057 3.516 -0.438 1.00 0.00 C ATOM 47 CG1 ILE A 58 -6.015 2.879 0.577 1.00 0.00 C ATOM 48 CG2 ILE A 58 -4.120 4.492 0.306 1.00 0.00 C ATOM 49 CD1 ILE A 58 -6.473 1.468 0.189 1.00 0.00 C ATOM 0 H ILE A 58 -7.159 2.809 -2.395 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.833 5.216 -1.383 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.459 2.724 -0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.525 2.838 1.550 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.891 3.518 0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.650 3.977 1.144 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.350 4.850 -0.378 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.697 5.339 0.678 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.148 1.082 0.953 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.992 1.504 -0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.605 0.814 0.107 1.00 0.00 H new ATOM 61 N ARG A 59 -3.869 4.606 -3.084 1.00 0.00 N ATOM 62 CA ARG A 59 -3.163 4.495 -4.320 1.00 0.00 C ATOM 63 C ARG A 59 -1.847 3.878 -4.030 1.00 0.00 C ATOM 64 O ARG A 59 -1.094 4.376 -3.209 1.00 0.00 O ATOM 65 CB ARG A 59 -2.969 5.855 -4.967 1.00 0.00 C ATOM 66 CG ARG A 59 -4.266 6.396 -5.560 1.00 0.00 C ATOM 67 CD ARG A 59 -4.534 7.868 -5.231 1.00 0.00 C ATOM 68 NE ARG A 59 -4.978 7.945 -3.805 1.00 0.00 N ATOM 69 CZ ARG A 59 -6.211 7.505 -3.427 1.00 0.00 C ATOM 70 NH1 ARG A 59 -7.136 7.145 -4.340 1.00 0.00 N ATOM 71 NH2 ARG A 59 -6.554 7.510 -2.122 1.00 0.00 N ATOM 0 H ARG A 59 -3.466 5.256 -2.409 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.735 3.883 -5.018 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.588 6.558 -4.226 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.216 5.779 -5.751 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.237 6.276 -6.643 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.099 5.795 -5.195 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.634 8.463 -5.383 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.300 8.274 -5.892 1.00 0.00 H new ATOM 0 HE ARG A 59 -4.347 8.333 -3.104 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.919 7.199 -5.335 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.053 6.818 -4.035 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.891 7.843 -1.422 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.476 7.181 -1.836 1.00 0.00 H new ATOM 85 N VAL A 60 -1.522 2.805 -4.769 1.00 0.00 N ATOM 86 CA VAL A 60 -0.327 2.064 -4.492 1.00 0.00 C ATOM 87 C VAL A 60 0.691 2.456 -5.512 1.00 0.00 C ATOM 88 O VAL A 60 0.568 2.112 -6.684 1.00 0.00 O ATOM 89 CB VAL A 60 -0.504 0.541 -4.534 1.00 0.00 C ATOM 90 CG1 VAL A 60 0.646 -0.220 -3.863 1.00 0.00 C ATOM 91 CG2 VAL A 60 -1.839 0.070 -3.938 1.00 0.00 C ATOM 0 H VAL A 60 -2.076 2.451 -5.549 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.025 2.305 -3.473 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.499 0.304 -5.598 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.459 -1.292 -3.927 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.582 0.016 -4.368 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.715 0.074 -2.816 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.901 -1.017 -3.998 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.901 0.380 -2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.663 0.512 -4.497 1.00 0.00 H new ATOM 101 N PHE A 61 1.757 3.132 -5.048 1.00 0.00 N ATOM 102 CA PHE A 61 2.807 3.560 -5.926 1.00 0.00 C ATOM 103 C PHE A 61 3.881 2.523 -5.853 1.00 0.00 C ATOM 104 O PHE A 61 4.141 1.950 -4.794 1.00 0.00 O ATOM 105 CB PHE A 61 3.422 4.899 -5.495 1.00 0.00 C ATOM 106 CG PHE A 61 2.528 5.996 -5.969 1.00 0.00 C ATOM 107 CD1 PHE A 61 1.270 6.197 -5.389 1.00 0.00 C ATOM 108 CD2 PHE A 61 2.959 6.911 -6.918 1.00 0.00 C ATOM 109 CE1 PHE A 61 0.518 7.314 -5.691 1.00 0.00 C ATOM 110 CE2 PHE A 61 2.210 8.038 -7.208 1.00 0.00 C ATOM 111 CZ PHE A 61 0.998 8.248 -6.583 1.00 0.00 C ATOM 0 H PHE A 61 1.894 3.383 -4.069 1.00 0.00 H new ATOM 0 HA PHE A 61 2.396 3.688 -6.927 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.529 4.937 -4.411 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.420 5.013 -5.918 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.882 5.467 -4.694 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.891 6.742 -7.437 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.447 7.456 -5.228 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.576 8.756 -7.927 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.428 9.141 -6.792 1.00 0.00 H new ATOM 121 N LEU A 62 4.571 2.264 -6.983 1.00 0.00 N ATOM 122 CA LEU A 62 5.536 1.202 -6.990 1.00 0.00 C ATOM 123 C LEU A 62 6.883 1.813 -6.743 1.00 0.00 C ATOM 124 O LEU A 62 7.080 3.024 -6.868 1.00 0.00 O ATOM 125 CB LEU A 62 5.574 0.425 -8.312 1.00 0.00 C ATOM 126 CG LEU A 62 4.464 -0.623 -8.443 1.00 0.00 C ATOM 127 CD1 LEU A 62 4.834 -1.979 -7.833 1.00 0.00 C ATOM 128 CD2 LEU A 62 3.119 -0.159 -7.874 1.00 0.00 C ATOM 0 H LEU A 62 4.468 2.769 -7.863 1.00 0.00 H new ATOM 0 HA LEU A 62 5.256 0.486 -6.217 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.495 1.130 -9.140 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.541 -0.069 -8.405 1.00 0.00 H new ATOM 0 HG LEU A 62 4.353 -0.751 -9.520 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.004 -2.674 -7.960 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.718 -2.374 -8.333 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.044 -1.855 -6.771 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.379 -0.949 -8.000 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.231 0.068 -6.814 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.789 0.735 -8.403 1.00 0.00 H new ATOM 140 N PRO A 63 7.825 0.905 -6.519 1.00 0.00 N ATOM 141 CA PRO A 63 9.115 1.513 -6.284 1.00 0.00 C ATOM 142 C PRO A 63 9.709 1.708 -7.658 1.00 0.00 C ATOM 143 O PRO A 63 10.727 2.377 -7.811 1.00 0.00 O ATOM 144 CB PRO A 63 9.928 0.506 -5.501 1.00 0.00 C ATOM 145 CG PRO A 63 9.009 -0.682 -5.230 1.00 0.00 C ATOM 146 CD PRO A 63 7.617 -0.264 -5.692 1.00 0.00 C ATOM 0 HA PRO A 63 9.077 2.455 -5.737 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.807 0.195 -6.066 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.286 0.939 -4.567 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.348 -1.566 -5.770 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.006 -0.937 -4.170 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.133 -1.063 -6.254 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.973 -0.036 -4.843 1.00 0.00 H new ATOM 154 N ASN A 64 9.049 1.175 -8.711 1.00 0.00 N ATOM 155 CA ASN A 64 9.470 1.453 -10.053 1.00 0.00 C ATOM 156 C ASN A 64 8.637 2.601 -10.563 1.00 0.00 C ATOM 157 O ASN A 64 8.380 2.709 -11.761 1.00 0.00 O ATOM 158 CB ASN A 64 9.407 0.253 -11.022 1.00 0.00 C ATOM 159 CG ASN A 64 8.082 -0.472 -10.821 1.00 0.00 C ATOM 160 OD1 ASN A 64 7.916 -1.244 -9.877 1.00 0.00 O ATOM 161 ND2 ASN A 64 7.116 -0.236 -11.746 1.00 0.00 N ATOM 0 H ASN A 64 8.238 0.562 -8.634 1.00 0.00 H new ATOM 0 HA ASN A 64 10.530 1.704 -10.017 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.497 0.595 -12.053 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.240 -0.425 -10.837 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.214 -0.706 -11.673 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.293 0.411 -12.514 1.00 0.00 H new ATOM 168 N LYS A 65 8.140 3.445 -9.629 1.00 0.00 N ATOM 169 CA LYS A 65 7.590 4.727 -9.978 1.00 0.00 C ATOM 170 C LYS A 65 6.171 4.539 -10.420 1.00 0.00 C ATOM 171 O LYS A 65 5.496 5.500 -10.792 1.00 0.00 O ATOM 172 CB LYS A 65 8.360 5.509 -11.051 1.00 0.00 C ATOM 173 CG LYS A 65 9.875 5.524 -10.826 1.00 0.00 C ATOM 174 CD LYS A 65 10.306 6.361 -9.616 1.00 0.00 C ATOM 175 CE LYS A 65 10.712 5.518 -8.403 1.00 0.00 C ATOM 176 NZ LYS A 65 11.161 6.386 -7.319 1.00 0.00 N ATOM 0 H LYS A 65 8.120 3.238 -8.630 1.00 0.00 H new ATOM 0 HA LYS A 65 7.666 5.336 -9.077 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.150 5.073 -12.028 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.994 6.535 -11.074 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.225 4.500 -10.692 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.363 5.913 -11.719 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.144 6.996 -9.904 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.487 7.022 -9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.868 4.914 -8.070 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.508 4.827 -8.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.434 5.806 -6.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.979 6.944 -7.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.390 7.028 -7.046 1.00 0.00 H new ATOM 190 N GLN A 66 5.663 3.292 -10.352 1.00 0.00 N ATOM 191 CA GLN A 66 4.356 3.020 -10.876 1.00 0.00 C ATOM 192 C GLN A 66 3.344 3.409 -9.859 1.00 0.00 C ATOM 193 O GLN A 66 3.671 3.936 -8.801 1.00 0.00 O ATOM 194 CB GLN A 66 4.120 1.566 -11.297 1.00 0.00 C ATOM 195 CG GLN A 66 4.244 1.335 -12.799 1.00 0.00 C ATOM 196 CD GLN A 66 2.890 1.617 -13.428 1.00 0.00 C ATOM 197 OE1 GLN A 66 1.978 0.791 -13.373 1.00 0.00 O ATOM 198 NE2 GLN A 66 2.735 2.829 -13.997 1.00 0.00 N ATOM 0 H GLN A 66 6.143 2.489 -9.945 1.00 0.00 H new ATOM 0 HA GLN A 66 4.266 3.607 -11.790 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.835 0.927 -10.780 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.126 1.260 -10.972 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.006 1.989 -13.224 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.554 0.310 -13.003 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.516 3.484 -14.022 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.837 3.091 -14.403 1.00 0.00 H new ATOM 207 N ARG A 67 2.063 3.249 -10.232 1.00 0.00 N ATOM 208 CA ARG A 67 0.996 3.648 -9.372 1.00 0.00 C ATOM 209 C ARG A 67 -0.241 2.961 -9.848 1.00 0.00 C ATOM 210 O ARG A 67 -0.280 2.427 -10.956 1.00 0.00 O ATOM 211 CB ARG A 67 0.755 5.157 -9.357 1.00 0.00 C ATOM 212 CG ARG A 67 0.806 5.806 -10.742 1.00 0.00 C ATOM 213 CD ARG A 67 2.083 6.615 -10.983 1.00 0.00 C ATOM 214 NE ARG A 67 2.052 7.095 -12.396 1.00 0.00 N ATOM 215 CZ ARG A 67 3.169 7.611 -12.977 1.00 0.00 C ATOM 216 NH1 ARG A 67 4.382 7.463 -12.404 1.00 0.00 N ATOM 217 NH2 ARG A 67 3.103 8.134 -14.223 1.00 0.00 N ATOM 0 H ARG A 67 1.768 2.847 -11.122 1.00 0.00 H new ATOM 0 HA ARG A 67 1.263 3.371 -8.352 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.219 5.355 -8.909 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.502 5.628 -8.718 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.727 5.030 -11.503 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.058 6.459 -10.862 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.139 7.457 -10.293 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.965 6.000 -10.807 1.00 0.00 H new ATOM 0 HE ARG A 67 1.186 7.036 -12.931 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.471 6.958 -11.522 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.209 7.856 -12.853 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.216 8.141 -14.727 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.940 8.521 -14.659 1.00 0.00 H new ATOM 231 N THR A 68 -1.268 2.943 -8.980 1.00 0.00 N ATOM 232 CA THR A 68 -2.524 2.342 -9.320 1.00 0.00 C ATOM 233 C THR A 68 -3.440 2.608 -8.168 1.00 0.00 C ATOM 234 O THR A 68 -2.992 3.006 -7.095 1.00 0.00 O ATOM 235 CB THR A 68 -2.456 0.827 -9.587 1.00 0.00 C ATOM 236 OG1 THR A 68 -3.705 0.354 -10.074 1.00 0.00 O ATOM 237 CG2 THR A 68 -2.023 -0.008 -8.374 1.00 0.00 C ATOM 0 H THR A 68 -1.231 3.344 -8.043 1.00 0.00 H new ATOM 0 HA THR A 68 -2.870 2.777 -10.258 1.00 0.00 H new ATOM 0 HB THR A 68 -1.679 0.697 -10.340 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.647 -0.610 -10.241 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.001 -1.063 -8.648 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.029 0.304 -8.053 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.731 0.141 -7.559 1.00 0.00 H new ATOM 245 N VAL A 69 -4.755 2.403 -8.370 1.00 0.00 N ATOM 246 CA VAL A 69 -5.696 2.659 -7.319 1.00 0.00 C ATOM 247 C VAL A 69 -6.266 1.342 -6.908 1.00 0.00 C ATOM 248 O VAL A 69 -6.523 0.474 -7.741 1.00 0.00 O ATOM 249 CB VAL A 69 -6.856 3.578 -7.729 1.00 0.00 C ATOM 250 CG1 VAL A 69 -7.626 4.156 -6.535 1.00 0.00 C ATOM 251 CG2 VAL A 69 -6.425 4.727 -8.654 1.00 0.00 C ATOM 0 H VAL A 69 -5.162 2.067 -9.243 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.164 3.171 -6.517 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.524 2.920 -8.284 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.431 4.796 -6.896 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.046 3.342 -5.945 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.948 4.742 -5.914 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.293 5.337 -8.905 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.682 5.343 -8.147 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.994 4.317 -9.567 1.00 0.00 H new ATOM 261 N VAL A 70 -6.499 1.179 -5.593 1.00 0.00 N ATOM 262 CA VAL A 70 -7.062 -0.040 -5.098 1.00 0.00 C ATOM 263 C VAL A 70 -8.210 0.331 -4.216 1.00 0.00 C ATOM 264 O VAL A 70 -8.289 1.455 -3.719 1.00 0.00 O ATOM 265 CB VAL A 70 -6.065 -0.884 -4.294 1.00 0.00 C ATOM 266 CG1 VAL A 70 -4.928 -1.450 -5.149 1.00 0.00 C ATOM 267 CG2 VAL A 70 -5.438 -0.138 -3.104 1.00 0.00 C ATOM 0 H VAL A 70 -6.301 1.881 -4.880 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.367 -0.649 -5.949 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.679 -1.701 -3.915 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.258 -2.037 -4.521 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.343 -2.086 -5.931 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.373 -0.630 -5.605 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.745 -0.799 -2.585 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.901 0.739 -3.466 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.224 0.176 -2.417 1.00 0.00 H new ATOM 277 N ASN A 71 -9.127 -0.631 -4.000 1.00 0.00 N ATOM 278 CA ASN A 71 -10.254 -0.394 -3.147 1.00 0.00 C ATOM 279 C ASN A 71 -10.132 -1.347 -2.004 1.00 0.00 C ATOM 280 O ASN A 71 -9.567 -2.431 -2.147 1.00 0.00 O ATOM 281 CB ASN A 71 -11.597 -0.674 -3.839 1.00 0.00 C ATOM 282 CG ASN A 71 -11.932 0.513 -4.734 1.00 0.00 C ATOM 283 OD1 ASN A 71 -12.648 1.427 -4.329 1.00 0.00 O ATOM 284 ND2 ASN A 71 -11.424 0.491 -5.995 1.00 0.00 N ATOM 0 H ASN A 71 -9.090 -1.564 -4.411 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.248 0.654 -2.849 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.537 -1.589 -4.429 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.382 -0.824 -3.098 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.633 1.251 -6.642 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.834 -0.285 -6.294 1.00 0.00 H new ATOM 291 N VAL A 72 -10.675 -0.961 -0.834 1.00 0.00 N ATOM 292 CA VAL A 72 -10.591 -1.811 0.317 1.00 0.00 C ATOM 293 C VAL A 72 -11.983 -2.250 0.651 1.00 0.00 C ATOM 294 O VAL A 72 -12.943 -1.493 0.502 1.00 0.00 O ATOM 295 CB VAL A 72 -9.949 -1.127 1.536 1.00 0.00 C ATOM 296 CG1 VAL A 72 -10.853 -0.093 2.214 1.00 0.00 C ATOM 297 CG2 VAL A 72 -9.458 -2.103 2.617 1.00 0.00 C ATOM 0 H VAL A 72 -11.163 -0.078 -0.684 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.944 -2.655 0.076 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.090 -0.622 1.095 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.330 0.345 3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -11.107 0.691 1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -11.765 -0.579 2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -9.019 -1.542 3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.299 -2.691 2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.708 -2.770 2.192 1.00 0.00 H new ATOM 307 N ARG A 73 -12.130 -3.536 1.018 1.00 0.00 N ATOM 308 CA ARG A 73 -13.392 -4.034 1.480 1.00 0.00 C ATOM 309 C ARG A 73 -13.204 -4.375 2.928 1.00 0.00 C ATOM 310 O ARG A 73 -12.178 -4.060 3.530 1.00 0.00 O ATOM 311 CB ARG A 73 -13.840 -5.293 0.712 1.00 0.00 C ATOM 312 CG ARG A 73 -14.512 -4.990 -0.633 1.00 0.00 C ATOM 313 CD ARG A 73 -13.557 -4.412 -1.685 1.00 0.00 C ATOM 314 NE ARG A 73 -13.791 -2.937 -1.753 1.00 0.00 N ATOM 315 CZ ARG A 73 -14.884 -2.431 -2.389 1.00 0.00 C ATOM 316 NH1 ARG A 73 -15.696 -3.230 -3.107 1.00 0.00 N ATOM 317 NH2 ARG A 73 -15.114 -1.099 -2.373 1.00 0.00 N ATOM 0 H ARG A 73 -11.381 -4.228 0.996 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.165 -3.281 1.323 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.972 -5.930 0.539 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.533 -5.860 1.334 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.955 -5.907 -1.022 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.328 -4.286 -0.471 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.521 -4.623 -1.418 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -13.735 -4.872 -2.657 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.123 -2.301 -1.317 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.496 -4.228 -3.180 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.511 -2.838 -3.578 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.470 -0.476 -1.886 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.932 -0.717 -2.848 1.00 0.00 H new ATOM 331 N ASN A 74 -14.202 -5.031 3.552 1.00 0.00 N ATOM 332 CA ASN A 74 -14.070 -5.384 4.936 1.00 0.00 C ATOM 333 C ASN A 74 -13.260 -6.645 5.002 1.00 0.00 C ATOM 334 O ASN A 74 -13.741 -7.729 4.675 1.00 0.00 O ATOM 335 CB ASN A 74 -15.401 -5.638 5.653 1.00 0.00 C ATOM 336 CG ASN A 74 -16.400 -4.578 5.204 1.00 0.00 C ATOM 337 OD1 ASN A 74 -17.103 -4.751 4.209 1.00 0.00 O ATOM 338 ND2 ASN A 74 -16.445 -3.430 5.933 1.00 0.00 N ATOM 0 H ASN A 74 -15.079 -5.311 3.113 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.602 -4.538 5.440 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.774 -6.635 5.418 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.264 -5.596 6.733 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -17.077 -2.677 5.660 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.847 -3.322 6.752 1.00 0.00 H new ATOM 345 N GLY A 75 -11.990 -6.512 5.424 1.00 0.00 N ATOM 346 CA GLY A 75 -11.152 -7.662 5.625 1.00 0.00 C ATOM 347 C GLY A 75 -10.312 -7.836 4.398 1.00 0.00 C ATOM 348 O GLY A 75 -10.406 -8.850 3.711 1.00 0.00 O ATOM 0 H GLY A 75 -11.542 -5.618 5.626 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.521 -7.526 6.504 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.758 -8.550 5.802 1.00 0.00 H new ATOM 352 N MET A 76 -9.414 -6.866 4.128 1.00 0.00 N ATOM 353 CA MET A 76 -8.496 -7.015 3.039 1.00 0.00 C ATOM 354 C MET A 76 -7.175 -7.359 3.626 1.00 0.00 C ATOM 355 O MET A 76 -6.658 -8.440 3.368 1.00 0.00 O ATOM 356 CB MET A 76 -8.312 -5.725 2.221 1.00 0.00 C ATOM 357 CG MET A 76 -9.614 -5.189 1.638 1.00 0.00 C ATOM 358 SD MET A 76 -10.221 -6.324 0.349 1.00 0.00 S ATOM 359 CE MET A 76 -8.982 -6.004 -0.948 1.00 0.00 C ATOM 0 H MET A 76 -9.325 -5.996 4.653 1.00 0.00 H new ATOM 0 HA MET A 76 -8.891 -7.779 2.369 1.00 0.00 H new ATOM 0 HB2 MET A 76 -7.865 -4.961 2.857 1.00 0.00 H new ATOM 0 HB3 MET A 76 -7.610 -5.915 1.409 1.00 0.00 H new ATOM 0 HG2 MET A 76 -10.361 -5.084 2.425 1.00 0.00 H new ATOM 0 HG3 MET A 76 -9.454 -4.197 1.217 1.00 0.00 H new ATOM 0 HE1 MET A 76 -9.407 -6.240 -1.924 1.00 0.00 H new ATOM 0 HE2 MET A 76 -8.692 -4.954 -0.923 1.00 0.00 H new ATOM 0 HE3 MET A 76 -8.104 -6.627 -0.774 1.00 0.00 H new ATOM 369 N SER A 77 -6.637 -6.426 4.437 1.00 0.00 N ATOM 370 CA SER A 77 -5.258 -6.470 4.847 1.00 0.00 C ATOM 371 C SER A 77 -4.422 -6.186 3.659 1.00 0.00 C ATOM 372 O SER A 77 -4.580 -6.816 2.634 1.00 0.00 O ATOM 373 CB SER A 77 -4.689 -7.773 5.382 1.00 0.00 C ATOM 374 OG SER A 77 -4.848 -7.838 6.793 1.00 0.00 O ATOM 0 H SER A 77 -7.159 -5.634 4.813 1.00 0.00 H new ATOM 0 HA SER A 77 -5.237 -5.758 5.672 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.194 -8.618 4.913 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.633 -7.849 5.124 1.00 0.00 H new ATOM 0 HG SER A 77 -4.448 -7.043 7.204 1.00 0.00 H new ATOM 380 N LEU A 78 -3.247 -5.598 3.923 1.00 0.00 N ATOM 381 CA LEU A 78 -2.457 -4.988 2.905 1.00 0.00 C ATOM 382 C LEU A 78 -1.780 -6.026 2.081 1.00 0.00 C ATOM 383 O LEU A 78 -1.619 -5.869 0.882 1.00 0.00 O ATOM 384 CB LEU A 78 -1.512 -4.086 3.638 1.00 0.00 C ATOM 385 CG LEU A 78 -2.039 -2.668 3.674 1.00 0.00 C ATOM 386 CD1 LEU A 78 -1.649 -1.934 4.855 1.00 0.00 C ATOM 387 CD2 LEU A 78 -1.349 -1.777 2.686 1.00 0.00 C ATOM 0 H LEU A 78 -2.839 -5.545 4.856 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.043 -4.411 2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.369 -4.451 4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.536 -4.103 3.153 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.108 -2.832 3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.063 -0.927 4.811 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.027 -2.443 5.741 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.562 -1.877 4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.764 -0.771 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.282 -1.745 2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.499 -2.166 1.679 1.00 0.00 H new ATOM 399 N HIS A 79 -1.398 -7.153 2.686 1.00 0.00 N ATOM 400 CA HIS A 79 -0.702 -8.168 1.944 1.00 0.00 C ATOM 401 C HIS A 79 -1.649 -8.747 0.927 1.00 0.00 C ATOM 402 O HIS A 79 -1.213 -9.289 -0.081 1.00 0.00 O ATOM 403 CB HIS A 79 -0.161 -9.311 2.809 1.00 0.00 C ATOM 404 CG HIS A 79 1.292 -9.595 2.571 1.00 0.00 C ATOM 405 ND1 HIS A 79 2.285 -9.782 3.460 1.00 0.00 N flip ATOM 406 CD2 HIS A 79 1.890 -9.371 1.358 1.00 0.00 C flip ATOM 407 CE1 HIS A 79 3.469 -9.671 2.787 1.00 0.00 C flip ATOM 408 NE2 HIS A 79 3.202 -9.368 1.530 1.00 0.00 N flip ATOM 0 H HIS A 79 -1.562 -7.370 3.669 1.00 0.00 H new ATOM 0 HA HIS A 79 0.161 -7.686 1.484 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.309 -9.064 3.860 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -0.738 -10.214 2.610 1.00 0.00 H new ATOM 0 HD1 HIS A 79 2.174 -9.972 4.456 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.377 -9.222 0.420 1.00 0.00 H new ATOM 0 HE1 HIS A 79 4.453 -9.808 3.210 1.00 0.00 H new ATOM 417 N ASP A 80 -2.969 -8.617 1.172 1.00 0.00 N ATOM 418 CA ASP A 80 -3.939 -9.046 0.206 1.00 0.00 C ATOM 419 C ASP A 80 -4.516 -7.808 -0.425 1.00 0.00 C ATOM 420 O ASP A 80 -5.150 -7.870 -1.477 1.00 0.00 O ATOM 421 CB ASP A 80 -5.084 -9.835 0.847 1.00 0.00 C ATOM 422 CG ASP A 80 -4.547 -11.196 1.267 1.00 0.00 C ATOM 423 OD1 ASP A 80 -3.879 -11.264 2.334 1.00 0.00 O ATOM 424 OD2 ASP A 80 -4.794 -12.181 0.524 1.00 0.00 O ATOM 0 H ASP A 80 -3.361 -8.221 2.026 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.450 -9.698 -0.517 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.478 -9.299 1.710 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.907 -9.952 0.142 1.00 0.00 H new ATOM 429 N CYS A 81 -4.251 -6.641 0.194 1.00 0.00 N ATOM 430 CA CYS A 81 -4.827 -5.407 -0.251 1.00 0.00 C ATOM 431 C CYS A 81 -3.962 -4.873 -1.366 1.00 0.00 C ATOM 432 O CYS A 81 -4.424 -4.116 -2.217 1.00 0.00 O ATOM 433 CB CYS A 81 -4.918 -4.355 0.891 1.00 0.00 C ATOM 434 SG CYS A 81 -6.440 -3.373 0.699 1.00 0.00 S ATOM 0 H CYS A 81 -3.637 -6.552 1.004 1.00 0.00 H new ATOM 0 HA CYS A 81 -5.846 -5.595 -0.591 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.915 -4.854 1.860 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.046 -3.701 0.867 1.00 0.00 H new ATOM 0 HG CYS A 81 -6.595 -3.054 -0.552 1.00 0.00 H new ATOM 440 N LEU A 82 -2.681 -5.294 -1.391 1.00 0.00 N ATOM 441 CA LEU A 82 -1.732 -4.753 -2.317 1.00 0.00 C ATOM 442 C LEU A 82 -1.389 -5.822 -3.255 1.00 0.00 C ATOM 443 O LEU A 82 -0.851 -5.560 -4.322 1.00 0.00 O ATOM 444 CB LEU A 82 -0.452 -4.495 -1.550 1.00 0.00 C ATOM 445 CG LEU A 82 -0.580 -3.350 -0.559 1.00 0.00 C ATOM 446 CD1 LEU A 82 0.700 -2.524 -0.421 1.00 0.00 C ATOM 447 CD2 LEU A 82 -1.664 -2.369 -0.971 1.00 0.00 C ATOM 0 H LEU A 82 -2.304 -6.009 -0.769 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.128 -3.862 -2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.165 -5.401 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.350 -4.272 -2.254 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.815 -3.840 0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.540 -1.723 0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.512 -3.166 -0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.961 -2.094 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.725 -1.565 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.424 -1.951 -1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.622 -2.886 -1.023 1.00 0.00 H new ATOM 459 N MET A 83 -1.690 -7.058 -2.839 1.00 0.00 N ATOM 460 CA MET A 83 -1.614 -8.188 -3.712 1.00 0.00 C ATOM 461 C MET A 83 -2.363 -7.834 -4.951 1.00 0.00 C ATOM 462 O MET A 83 -1.815 -7.935 -6.020 1.00 0.00 O ATOM 463 CB MET A 83 -2.328 -9.336 -3.010 1.00 0.00 C ATOM 464 CG MET A 83 -2.706 -10.499 -3.920 1.00 0.00 C ATOM 465 SD MET A 83 -1.209 -11.433 -4.373 1.00 0.00 S ATOM 466 CE MET A 83 -1.938 -13.088 -4.585 1.00 0.00 C ATOM 0 H MET A 83 -1.989 -7.280 -1.890 1.00 0.00 H new ATOM 0 HA MET A 83 -0.587 -8.463 -3.953 1.00 0.00 H new ATOM 0 HB2 MET A 83 -1.688 -9.710 -2.211 1.00 0.00 H new ATOM 0 HB3 MET A 83 -3.233 -8.951 -2.540 1.00 0.00 H new ATOM 0 HG2 MET A 83 -3.416 -11.154 -3.414 1.00 0.00 H new ATOM 0 HG3 MET A 83 -3.200 -10.126 -4.817 1.00 0.00 H new ATOM 0 HE1 MET A 83 -1.257 -13.714 -5.161 1.00 0.00 H new ATOM 0 HE2 MET A 83 -2.107 -13.539 -3.607 1.00 0.00 H new ATOM 0 HE3 MET A 83 -2.887 -13.002 -5.114 1.00 0.00 H new ATOM 476 N LYS A 84 -3.503 -7.143 -4.772 1.00 0.00 N ATOM 477 CA LYS A 84 -4.265 -6.622 -5.849 1.00 0.00 C ATOM 478 C LYS A 84 -3.359 -5.918 -6.835 1.00 0.00 C ATOM 479 O LYS A 84 -3.355 -6.228 -8.026 1.00 0.00 O ATOM 480 CB LYS A 84 -5.132 -5.574 -5.156 1.00 0.00 C ATOM 481 CG LYS A 84 -6.139 -4.937 -6.082 1.00 0.00 C ATOM 482 CD LYS A 84 -6.597 -5.908 -7.158 1.00 0.00 C ATOM 483 CE LYS A 84 -7.874 -5.472 -7.882 1.00 0.00 C ATOM 484 NZ LYS A 84 -7.590 -4.336 -8.755 1.00 0.00 N ATOM 0 H LYS A 84 -3.899 -6.945 -3.853 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.818 -7.386 -6.396 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.657 -6.039 -4.321 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.490 -4.799 -4.737 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.000 -4.597 -5.507 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.699 -4.056 -6.549 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.798 -6.027 -7.890 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.763 -6.885 -6.705 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.271 -6.301 -8.468 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.639 -5.200 -7.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.462 -4.046 -9.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.231 -3.542 -8.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.874 -4.609 -9.458 1.00 0.00 H new ATOM 498 N ALA A 85 -2.550 -4.964 -6.341 1.00 0.00 N ATOM 499 CA ALA A 85 -1.932 -3.995 -7.210 1.00 0.00 C ATOM 500 C ALA A 85 -0.623 -4.533 -7.715 1.00 0.00 C ATOM 501 O ALA A 85 0.141 -3.805 -8.345 1.00 0.00 O ATOM 502 CB ALA A 85 -1.595 -2.864 -6.225 1.00 0.00 C ATOM 0 H ALA A 85 -2.322 -4.858 -5.352 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.553 -3.718 -8.062 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.112 -2.047 -6.761 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.512 -2.501 -5.760 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.922 -3.241 -5.455 1.00 0.00 H new ATOM 508 N LEU A 86 -0.317 -5.812 -7.443 1.00 0.00 N ATOM 509 CA LEU A 86 0.985 -6.333 -7.765 1.00 0.00 C ATOM 510 C LEU A 86 0.779 -7.657 -8.370 1.00 0.00 C ATOM 511 O LEU A 86 1.593 -8.118 -9.149 1.00 0.00 O ATOM 512 CB LEU A 86 1.746 -6.568 -6.477 1.00 0.00 C ATOM 513 CG LEU A 86 1.856 -5.299 -5.638 1.00 0.00 C ATOM 514 CD1 LEU A 86 1.916 -5.553 -4.163 1.00 0.00 C ATOM 515 CD2 LEU A 86 2.847 -4.290 -6.200 1.00 0.00 C ATOM 0 H LEU A 86 -0.953 -6.480 -7.008 1.00 0.00 H new ATOM 0 HA LEU A 86 1.521 -5.647 -8.420 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.246 -7.344 -5.897 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.745 -6.937 -6.709 1.00 0.00 H new ATOM 0 HG LEU A 86 0.904 -4.778 -5.739 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.993 -4.604 -3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.012 -6.073 -3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.787 -6.168 -3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.877 -3.411 -5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.839 -4.740 -6.245 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.537 -3.995 -7.202 1.00 0.00 H new ATOM 527 N LYS A 87 -0.283 -8.332 -7.920 1.00 0.00 N ATOM 528 CA LYS A 87 -0.753 -9.524 -8.564 1.00 0.00 C ATOM 529 C LYS A 87 -1.061 -9.186 -9.989 1.00 0.00 C ATOM 530 O LYS A 87 -0.774 -9.962 -10.898 1.00 0.00 O ATOM 531 CB LYS A 87 -2.098 -9.916 -7.969 1.00 0.00 C ATOM 532 CG LYS A 87 -2.359 -11.408 -7.992 1.00 0.00 C ATOM 533 CD LYS A 87 -3.273 -11.851 -9.139 1.00 0.00 C ATOM 534 CE LYS A 87 -3.561 -13.355 -9.149 1.00 0.00 C ATOM 535 NZ LYS A 87 -4.431 -13.706 -8.031 1.00 0.00 N ATOM 0 H LYS A 87 -0.826 -8.055 -7.102 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.005 -10.309 -8.454 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.147 -9.563 -6.939 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.891 -9.408 -8.518 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.408 -11.934 -8.072 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.809 -11.705 -7.044 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.217 -11.310 -9.070 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.813 -11.571 -10.087 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.034 -13.636 -10.090 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.627 -13.913 -9.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.730 -14.698 -8.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.915 -13.581 -7.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.269 -13.090 -8.036 1.00 0.00 H new ATOM 549 N VAL A 88 -1.671 -8.002 -10.183 1.00 0.00 N ATOM 550 CA VAL A 88 -2.081 -7.567 -11.492 1.00 0.00 C ATOM 551 C VAL A 88 -0.837 -7.310 -12.316 1.00 0.00 C ATOM 552 O VAL A 88 -0.878 -7.305 -13.545 1.00 0.00 O ATOM 553 CB VAL A 88 -2.929 -6.289 -11.401 1.00 0.00 C ATOM 554 CG1 VAL A 88 -2.169 -5.082 -10.851 1.00 0.00 C ATOM 555 CG2 VAL A 88 -3.463 -5.777 -12.729 1.00 0.00 C ATOM 0 H VAL A 88 -1.883 -7.342 -9.435 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.693 -8.338 -11.960 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.730 -6.627 -10.743 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.833 -4.219 -10.817 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.811 -5.305 -9.846 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.320 -4.861 -11.498 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.048 -4.873 -12.562 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.629 -5.552 -13.394 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.095 -6.539 -13.185 1.00 0.00 H new ATOM 565 N ARG A 89 0.311 -7.127 -11.635 1.00 0.00 N ATOM 566 CA ARG A 89 1.552 -6.881 -12.310 1.00 0.00 C ATOM 567 C ARG A 89 2.230 -8.199 -12.500 1.00 0.00 C ATOM 568 O ARG A 89 2.769 -8.488 -13.565 1.00 0.00 O ATOM 569 CB ARG A 89 2.444 -6.027 -11.411 1.00 0.00 C ATOM 570 CG ARG A 89 1.760 -4.745 -10.967 1.00 0.00 C ATOM 571 CD ARG A 89 2.727 -3.716 -10.389 1.00 0.00 C ATOM 572 NE ARG A 89 1.926 -2.528 -9.975 1.00 0.00 N ATOM 573 CZ ARG A 89 1.593 -1.563 -10.876 1.00 0.00 C ATOM 574 NH1 ARG A 89 2.085 -1.586 -12.128 1.00 0.00 N ATOM 575 NH2 ARG A 89 0.833 -0.512 -10.493 1.00 0.00 N ATOM 0 H ARG A 89 0.381 -7.149 -10.618 1.00 0.00 H new ATOM 0 HA ARG A 89 1.376 -6.377 -13.260 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.731 -6.606 -10.533 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.362 -5.780 -11.944 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.238 -4.306 -11.817 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.005 -4.984 -10.219 1.00 0.00 H new ATOM 0 HD2 ARG A 89 3.264 -4.132 -9.537 1.00 0.00 H new ATOM 0 HD3 ARG A 89 3.475 -3.434 -11.130 1.00 0.00 H new ATOM 0 HE ARG A 89 1.624 -2.437 -9.005 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.717 -2.334 -12.414 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.826 -0.856 -12.791 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.509 -0.442 -9.528 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.584 0.210 -11.169 1.00 0.00 H new ATOM 589 N GLY A 90 2.243 -8.991 -11.419 1.00 0.00 N ATOM 590 CA GLY A 90 2.927 -10.253 -11.408 1.00 0.00 C ATOM 591 C GLY A 90 4.139 -10.095 -10.538 1.00 0.00 C ATOM 592 O GLY A 90 5.183 -10.689 -10.798 1.00 0.00 O ATOM 0 H GLY A 90 1.777 -8.760 -10.542 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.277 -11.039 -11.023 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.214 -10.543 -12.419 1.00 0.00 H new ATOM 596 N LEU A 91 4.010 -9.296 -9.459 1.00 0.00 N ATOM 597 CA LEU A 91 5.143 -8.986 -8.637 1.00 0.00 C ATOM 598 C LEU A 91 4.961 -9.687 -7.324 1.00 0.00 C ATOM 599 O LEU A 91 3.902 -10.239 -7.031 1.00 0.00 O ATOM 600 CB LEU A 91 5.250 -7.482 -8.341 1.00 0.00 C ATOM 601 CG LEU A 91 5.651 -6.641 -9.557 1.00 0.00 C ATOM 602 CD1 LEU A 91 6.295 -5.303 -9.173 1.00 0.00 C ATOM 603 CD2 LEU A 91 6.539 -7.394 -10.551 1.00 0.00 C ATOM 0 H LEU A 91 3.133 -8.870 -9.159 1.00 0.00 H new ATOM 0 HA LEU A 91 6.043 -9.301 -9.166 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.291 -7.126 -7.965 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.981 -7.328 -7.547 1.00 0.00 H new ATOM 0 HG LEU A 91 4.709 -6.426 -10.061 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.557 -4.753 -10.077 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.591 -4.717 -8.582 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.195 -5.487 -8.587 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.785 -6.740 -11.387 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.457 -7.708 -10.054 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.008 -8.271 -10.921 1.00 0.00 H new ATOM 615 N GLN A 92 6.009 -9.629 -6.477 1.00 0.00 N ATOM 616 CA GLN A 92 5.959 -10.258 -5.189 1.00 0.00 C ATOM 617 C GLN A 92 5.909 -9.158 -4.161 1.00 0.00 C ATOM 618 O GLN A 92 6.728 -8.239 -4.171 1.00 0.00 O ATOM 619 CB GLN A 92 7.211 -11.103 -4.914 1.00 0.00 C ATOM 620 CG GLN A 92 7.395 -12.265 -5.899 1.00 0.00 C ATOM 621 CD GLN A 92 6.927 -13.553 -5.226 1.00 0.00 C ATOM 622 OE1 GLN A 92 7.735 -14.414 -4.878 1.00 0.00 O ATOM 623 NE2 GLN A 92 5.583 -13.726 -5.068 1.00 0.00 N ATOM 0 H GLN A 92 6.886 -9.150 -6.682 1.00 0.00 H new ATOM 0 HA GLN A 92 5.090 -10.915 -5.150 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.090 -10.460 -4.955 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.155 -11.501 -3.901 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.823 -12.084 -6.809 1.00 0.00 H new ATOM 0 HG3 GLN A 92 8.441 -12.350 -6.192 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.936 -12.995 -5.366 1.00 0.00 H new ATOM 0 HE22 GLN A 92 5.225 -14.586 -4.652 1.00 0.00 H new ATOM 632 N PRO A 93 4.989 -9.345 -3.224 1.00 0.00 N ATOM 633 CA PRO A 93 4.931 -8.226 -2.305 1.00 0.00 C ATOM 634 C PRO A 93 5.641 -8.704 -1.064 1.00 0.00 C ATOM 635 O PRO A 93 5.896 -7.925 -0.148 1.00 0.00 O ATOM 636 CB PRO A 93 3.466 -8.058 -1.954 1.00 0.00 C ATOM 637 CG PRO A 93 2.761 -9.324 -2.427 1.00 0.00 C ATOM 638 CD PRO A 93 3.687 -9.947 -3.461 1.00 0.00 C ATOM 0 HA PRO A 93 5.360 -7.305 -2.701 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.337 -7.920 -0.880 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.049 -7.176 -2.441 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.584 -10.008 -1.597 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.788 -9.092 -2.861 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.729 -11.030 -3.349 1.00 0.00 H new ATOM 0 HD3 PRO A 93 3.339 -9.744 -4.474 1.00 0.00 H new ATOM 646 N GLU A 94 6.022 -9.997 -1.008 1.00 0.00 N ATOM 647 CA GLU A 94 6.491 -10.574 0.224 1.00 0.00 C ATOM 648 C GLU A 94 7.890 -10.083 0.482 1.00 0.00 C ATOM 649 O GLU A 94 8.392 -10.176 1.600 1.00 0.00 O ATOM 650 CB GLU A 94 6.530 -12.111 0.210 1.00 0.00 C ATOM 651 CG GLU A 94 5.165 -12.761 -0.054 1.00 0.00 C ATOM 652 CD GLU A 94 5.078 -13.113 -1.535 1.00 0.00 C ATOM 653 OE1 GLU A 94 5.364 -12.216 -2.374 1.00 0.00 O ATOM 654 OE2 GLU A 94 4.708 -14.274 -1.848 1.00 0.00 O ATOM 0 H GLU A 94 6.007 -10.637 -1.802 1.00 0.00 H new ATOM 0 HA GLU A 94 5.788 -10.270 0.999 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.233 -12.441 -0.555 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.912 -12.465 1.168 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.047 -13.656 0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.361 -12.079 0.222 1.00 0.00 H new ATOM 661 N CYS A 95 8.554 -9.534 -0.553 1.00 0.00 N ATOM 662 CA CYS A 95 9.928 -9.142 -0.409 1.00 0.00 C ATOM 663 C CYS A 95 9.971 -7.645 -0.328 1.00 0.00 C ATOM 664 O CYS A 95 11.039 -7.033 -0.395 1.00 0.00 O ATOM 665 CB CYS A 95 10.773 -9.560 -1.616 1.00 0.00 C ATOM 666 SG CYS A 95 10.919 -11.375 -1.663 1.00 0.00 S ATOM 0 H CYS A 95 8.151 -9.363 -1.474 1.00 0.00 H new ATOM 0 HA CYS A 95 10.330 -9.625 0.482 1.00 0.00 H new ATOM 0 HB2 CYS A 95 10.314 -9.198 -2.536 1.00 0.00 H new ATOM 0 HB3 CYS A 95 11.763 -9.107 -1.554 1.00 0.00 H new ATOM 0 HG CYS A 95 11.635 -11.726 -2.690 1.00 0.00 H new ATOM 672 N CYS A 96 8.800 -7.007 -0.151 1.00 0.00 N ATOM 673 CA CYS A 96 8.743 -5.578 -0.208 1.00 0.00 C ATOM 674 C CYS A 96 8.213 -5.089 1.105 1.00 0.00 C ATOM 675 O CYS A 96 7.707 -5.863 1.916 1.00 0.00 O ATOM 676 CB CYS A 96 7.788 -5.091 -1.303 1.00 0.00 C ATOM 677 SG CYS A 96 8.424 -5.582 -2.937 1.00 0.00 S ATOM 0 H CYS A 96 7.908 -7.469 0.028 1.00 0.00 H new ATOM 0 HA CYS A 96 9.743 -5.200 -0.423 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.795 -5.513 -1.147 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.685 -4.007 -1.253 1.00 0.00 H new ATOM 0 HG CYS A 96 7.751 -6.604 -3.376 1.00 0.00 H new ATOM 683 N ALA A 97 8.318 -3.763 1.318 1.00 0.00 N ATOM 684 CA ALA A 97 7.721 -3.137 2.459 1.00 0.00 C ATOM 685 C ALA A 97 6.883 -2.022 1.931 1.00 0.00 C ATOM 686 O ALA A 97 7.307 -1.273 1.058 1.00 0.00 O ATOM 687 CB ALA A 97 8.742 -2.522 3.430 1.00 0.00 C ATOM 0 H ALA A 97 8.817 -3.124 0.699 1.00 0.00 H new ATOM 0 HA ALA A 97 7.167 -3.895 3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.217 -2.066 4.269 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.408 -3.302 3.799 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.326 -1.762 2.911 1.00 0.00 H new ATOM 693 N VAL A 98 5.660 -1.885 2.461 1.00 0.00 N ATOM 694 CA VAL A 98 4.761 -0.887 1.969 1.00 0.00 C ATOM 695 C VAL A 98 4.692 0.197 3.000 1.00 0.00 C ATOM 696 O VAL A 98 4.915 -0.033 4.191 1.00 0.00 O ATOM 697 CB VAL A 98 3.366 -1.456 1.697 1.00 0.00 C ATOM 698 CG1 VAL A 98 2.868 -2.378 2.805 1.00 0.00 C ATOM 699 CG2 VAL A 98 2.301 -0.394 1.422 1.00 0.00 C ATOM 0 H VAL A 98 5.293 -2.456 3.222 1.00 0.00 H new ATOM 0 HA VAL A 98 5.127 -0.502 1.017 1.00 0.00 H new ATOM 0 HB VAL A 98 3.507 -2.037 0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.874 -2.748 2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.552 -3.220 2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.821 -1.826 3.744 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.342 -0.879 1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.215 0.267 2.285 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.586 0.188 0.546 1.00 0.00 H new ATOM 709 N PHE A 99 4.353 1.416 2.546 1.00 0.00 N ATOM 710 CA PHE A 99 4.453 2.571 3.383 1.00 0.00 C ATOM 711 C PHE A 99 3.347 3.494 2.997 1.00 0.00 C ATOM 712 O PHE A 99 2.720 3.337 1.949 1.00 0.00 O ATOM 713 CB PHE A 99 5.725 3.379 3.092 1.00 0.00 C ATOM 714 CG PHE A 99 6.892 2.627 3.627 1.00 0.00 C ATOM 715 CD1 PHE A 99 7.503 1.634 2.878 1.00 0.00 C ATOM 716 CD2 PHE A 99 7.514 3.000 4.827 1.00 0.00 C ATOM 717 CE1 PHE A 99 8.793 1.239 3.158 1.00 0.00 C ATOM 718 CE2 PHE A 99 8.757 2.525 5.155 1.00 0.00 C ATOM 719 CZ PHE A 99 9.446 1.761 4.249 1.00 0.00 C ATOM 0 H PHE A 99 4.011 1.602 1.603 1.00 0.00 H new ATOM 0 HA PHE A 99 4.436 2.233 4.419 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.836 3.538 2.019 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.663 4.363 3.556 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.964 1.166 2.068 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.006 3.672 5.503 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.290 0.521 2.522 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.190 2.751 6.118 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.499 1.570 4.392 1.00 0.00 H new ATOM 729 N ARG A 100 3.165 4.545 3.815 1.00 0.00 N ATOM 730 CA ARG A 100 2.423 5.683 3.392 1.00 0.00 C ATOM 731 C ARG A 100 3.428 6.787 3.235 1.00 0.00 C ATOM 732 O ARG A 100 4.458 6.808 3.909 1.00 0.00 O ATOM 733 CB ARG A 100 1.323 6.002 4.393 1.00 0.00 C ATOM 734 CG ARG A 100 1.109 7.489 4.661 1.00 0.00 C ATOM 735 CD ARG A 100 0.114 7.728 5.795 1.00 0.00 C ATOM 736 NE ARG A 100 -0.478 9.089 5.629 1.00 0.00 N ATOM 737 CZ ARG A 100 0.101 10.192 6.176 1.00 0.00 C ATOM 738 NH1 ARG A 100 1.227 10.097 6.906 1.00 0.00 N ATOM 739 NH2 ARG A 100 -0.471 11.400 5.985 1.00 0.00 N ATOM 0 H ARG A 100 3.531 4.604 4.765 1.00 0.00 H new ATOM 0 HA ARG A 100 1.904 5.522 2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 100 0.388 5.575 4.031 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.556 5.508 5.336 1.00 0.00 H new ATOM 0 HG2 ARG A 100 2.063 7.953 4.912 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.748 7.973 3.754 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.669 6.970 5.778 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.614 7.648 6.760 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.339 9.194 5.092 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.661 9.187 7.057 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.646 10.935 7.308 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.327 11.478 5.436 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.047 12.235 6.390 1.00 0.00 H new ATOM 753 N LEU A 101 3.167 7.704 2.291 1.00 0.00 N ATOM 754 CA LEU A 101 4.190 8.589 1.818 1.00 0.00 C ATOM 755 C LEU A 101 4.368 9.689 2.822 1.00 0.00 C ATOM 756 O LEU A 101 3.666 9.774 3.831 1.00 0.00 O ATOM 757 CB LEU A 101 3.801 9.217 0.471 1.00 0.00 C ATOM 758 CG LEU A 101 3.943 8.255 -0.711 1.00 0.00 C ATOM 759 CD1 LEU A 101 2.997 7.061 -0.631 1.00 0.00 C ATOM 760 CD2 LEU A 101 3.745 8.929 -2.074 1.00 0.00 C ATOM 0 H LEU A 101 2.254 7.836 1.855 1.00 0.00 H new ATOM 0 HA LEU A 101 5.110 8.020 1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.769 9.565 0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.424 10.094 0.294 1.00 0.00 H new ATOM 0 HG LEU A 101 4.973 7.906 -0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.148 6.418 -1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.200 6.496 0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.966 7.414 -0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.860 8.189 -2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.746 9.362 -2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.488 9.716 -2.202 1.00 0.00 H new ATOM 772 N LEU A 102 5.339 10.578 2.538 1.00 0.00 N ATOM 773 CA LEU A 102 5.746 11.564 3.488 1.00 0.00 C ATOM 774 C LEU A 102 4.872 12.769 3.314 1.00 0.00 C ATOM 775 O LEU A 102 5.168 13.674 2.539 1.00 0.00 O ATOM 776 CB LEU A 102 7.222 11.951 3.341 1.00 0.00 C ATOM 777 CG LEU A 102 7.819 11.611 1.973 1.00 0.00 C ATOM 778 CD1 LEU A 102 7.101 12.312 0.821 1.00 0.00 C ATOM 779 CD2 LEU A 102 9.324 11.876 1.889 1.00 0.00 C ATOM 0 H LEU A 102 5.841 10.612 1.651 1.00 0.00 H new ATOM 0 HA LEU A 102 5.638 11.146 4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.326 13.022 3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.799 11.444 4.114 1.00 0.00 H new ATOM 0 HG LEU A 102 7.664 10.537 1.867 1.00 0.00 H new ATOM 0 HD11 LEU A 102 7.569 12.032 -0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 102 6.053 12.013 0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 102 7.168 13.392 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.685 11.614 0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 102 9.519 12.931 2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.842 11.271 2.633 1.00 0.00 H new ATOM 791 N HIS A 103 3.796 12.846 4.118 1.00 0.00 N ATOM 792 CA HIS A 103 2.946 13.999 4.081 1.00 0.00 C ATOM 793 C HIS A 103 3.225 14.798 5.321 1.00 0.00 C ATOM 794 O HIS A 103 2.733 15.913 5.480 1.00 0.00 O ATOM 795 CB HIS A 103 1.453 13.644 4.042 1.00 0.00 C ATOM 796 CG HIS A 103 1.102 12.704 2.927 1.00 0.00 C ATOM 797 ND1 HIS A 103 0.790 11.390 3.151 1.00 0.00 N ATOM 798 CD2 HIS A 103 0.870 12.945 1.619 1.00 0.00 C ATOM 799 CE1 HIS A 103 0.389 10.853 2.010 1.00 0.00 C ATOM 800 NE2 HIS A 103 0.425 11.777 1.063 1.00 0.00 N ATOM 0 H HIS A 103 3.517 12.125 4.783 1.00 0.00 H new ATOM 0 HA HIS A 103 3.160 14.555 3.168 1.00 0.00 H new ATOM 0 HB2 HIS A 103 1.168 13.194 4.993 1.00 0.00 H new ATOM 0 HB3 HIS A 103 0.870 14.559 3.935 1.00 0.00 H new ATOM 0 HD2 HIS A 103 1.010 13.885 1.107 1.00 0.00 H new ATOM 0 HE1 HIS A 103 0.082 9.827 1.874 1.00 0.00 H new ATOM 0 HE2 HIS A 103 0.165 11.641 0.086 1.00 0.00 H new ATOM 809 N GLU A 104 4.033 14.234 6.243 1.00 0.00 N ATOM 810 CA GLU A 104 4.364 14.937 7.449 1.00 0.00 C ATOM 811 C GLU A 104 5.797 14.624 7.771 1.00 0.00 C ATOM 812 O GLU A 104 6.207 14.652 8.932 1.00 0.00 O ATOM 813 CB GLU A 104 3.525 14.516 8.669 1.00 0.00 C ATOM 814 CG GLU A 104 2.011 14.680 8.471 1.00 0.00 C ATOM 815 CD GLU A 104 1.464 13.422 7.800 1.00 0.00 C ATOM 816 OE1 GLU A 104 2.109 12.340 7.903 1.00 0.00 O ATOM 817 OE2 GLU A 104 0.377 13.505 7.169 1.00 0.00 O ATOM 0 H GLU A 104 4.451 13.307 6.157 1.00 0.00 H new ATOM 0 HA GLU A 104 4.170 15.994 7.268 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.740 13.473 8.903 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.835 15.106 9.531 1.00 0.00 H new ATOM 0 HG2 GLU A 104 1.520 14.840 9.431 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.803 15.556 7.857 1.00 0.00 H new ATOM 824 N HIS A 105 6.598 14.275 6.745 1.00 0.00 N ATOM 825 CA HIS A 105 7.968 13.927 6.988 1.00 0.00 C ATOM 826 C HIS A 105 8.782 14.560 5.902 1.00 0.00 C ATOM 827 O HIS A 105 8.240 15.019 4.898 1.00 0.00 O ATOM 828 CB HIS A 105 8.246 12.413 7.004 1.00 0.00 C ATOM 829 CG HIS A 105 7.054 11.591 7.400 1.00 0.00 C ATOM 830 ND1 HIS A 105 6.423 11.742 8.606 1.00 0.00 N ATOM 831 CD2 HIS A 105 6.369 10.654 6.712 1.00 0.00 C ATOM 832 CE1 HIS A 105 5.361 10.950 8.623 1.00 0.00 C ATOM 833 NE2 HIS A 105 5.303 10.283 7.481 1.00 0.00 N ATOM 0 H HIS A 105 6.307 14.234 5.768 1.00 0.00 H new ATOM 0 HA HIS A 105 8.228 14.285 7.984 1.00 0.00 H new ATOM 0 HB2 HIS A 105 8.579 12.102 6.014 1.00 0.00 H new ATOM 0 HB3 HIS A 105 9.064 12.209 7.695 1.00 0.00 H new ATOM 0 HD1 HIS A 105 6.720 12.359 9.362 1.00 0.00 H new ATOM 0 HD2 HIS A 105 6.618 10.269 5.734 1.00 0.00 H new ATOM 0 HE1 HIS A 105 4.657 10.863 9.437 1.00 0.00 H new ATOM 842 N LYS A 106 10.121 14.566 6.072 1.00 0.00 N ATOM 843 CA LYS A 106 10.965 15.273 5.157 1.00 0.00 C ATOM 844 C LYS A 106 11.530 14.282 4.193 1.00 0.00 C ATOM 845 O LYS A 106 11.597 14.531 2.992 1.00 0.00 O ATOM 846 CB LYS A 106 12.116 15.972 5.892 1.00 0.00 C ATOM 847 CG LYS A 106 13.037 16.785 4.977 1.00 0.00 C ATOM 848 CD LYS A 106 12.316 17.898 4.208 1.00 0.00 C ATOM 849 CE LYS A 106 11.590 18.898 5.113 1.00 0.00 C ATOM 850 NZ LYS A 106 10.971 19.945 4.304 1.00 0.00 N ATOM 0 H LYS A 106 10.610 14.090 6.830 1.00 0.00 H new ATOM 0 HA LYS A 106 10.379 16.035 4.643 1.00 0.00 H new ATOM 0 HB2 LYS A 106 11.700 16.633 6.652 1.00 0.00 H new ATOM 0 HB3 LYS A 106 12.710 15.221 6.414 1.00 0.00 H new ATOM 0 HG2 LYS A 106 13.833 17.227 5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 106 13.512 16.112 4.264 1.00 0.00 H new ATOM 0 HD2 LYS A 106 13.042 18.434 3.597 1.00 0.00 H new ATOM 0 HD3 LYS A 106 11.595 17.448 3.526 1.00 0.00 H new ATOM 0 HE2 LYS A 106 10.830 18.384 5.701 1.00 0.00 H new ATOM 0 HE3 LYS A 106 12.294 19.340 5.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 10.480 20.619 4.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 11.705 20.444 3.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.286 19.518 3.648 1.00 0.00 H new ATOM 864 N GLY A 107 11.964 13.128 4.717 1.00 0.00 N ATOM 865 CA GLY A 107 12.615 12.146 3.895 1.00 0.00 C ATOM 866 C GLY A 107 12.476 10.824 4.574 1.00 0.00 C ATOM 867 O GLY A 107 13.454 10.102 4.746 1.00 0.00 O ATOM 0 H GLY A 107 11.869 12.869 5.699 1.00 0.00 H new ATOM 0 HA2 GLY A 107 12.163 12.116 2.904 1.00 0.00 H new ATOM 0 HA3 GLY A 107 13.667 12.398 3.759 1.00 0.00 H new ATOM 871 N LYS A 108 11.232 10.471 4.945 1.00 0.00 N ATOM 872 CA LYS A 108 10.978 9.201 5.543 1.00 0.00 C ATOM 873 C LYS A 108 9.554 8.889 5.264 1.00 0.00 C ATOM 874 O LYS A 108 8.683 9.742 5.397 1.00 0.00 O ATOM 875 CB LYS A 108 11.167 9.188 7.055 1.00 0.00 C ATOM 876 CG LYS A 108 12.636 9.175 7.469 1.00 0.00 C ATOM 877 CD LYS A 108 12.910 8.300 8.694 1.00 0.00 C ATOM 878 CE LYS A 108 14.396 8.185 9.044 1.00 0.00 C ATOM 879 NZ LYS A 108 14.895 9.467 9.536 1.00 0.00 N ATOM 0 H LYS A 108 10.408 11.062 4.831 1.00 0.00 H new ATOM 0 HA LYS A 108 11.684 8.480 5.130 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.681 10.064 7.484 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.670 8.312 7.471 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.239 8.818 6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.956 10.195 7.681 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.374 8.710 9.550 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.509 7.302 8.515 1.00 0.00 H new ATOM 0 HE2 LYS A 108 14.541 7.414 9.801 1.00 0.00 H new ATOM 0 HE3 LYS A 108 14.962 7.878 8.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.891 9.367 9.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 14.819 10.181 8.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 14.331 9.767 10.356 1.00 0.00 H new ATOM 893 N LYS A 109 9.295 7.652 4.825 1.00 0.00 N ATOM 894 CA LYS A 109 7.956 7.241 4.559 1.00 0.00 C ATOM 895 C LYS A 109 7.468 6.579 5.799 1.00 0.00 C ATOM 896 O LYS A 109 8.240 5.980 6.548 1.00 0.00 O ATOM 897 CB LYS A 109 7.934 6.241 3.400 1.00 0.00 C ATOM 898 CG LYS A 109 7.733 6.866 2.022 1.00 0.00 C ATOM 899 CD LYS A 109 7.133 5.888 1.017 1.00 0.00 C ATOM 900 CE LYS A 109 8.005 4.651 0.791 1.00 0.00 C ATOM 901 NZ LYS A 109 9.197 5.016 0.029 1.00 0.00 N ATOM 0 H LYS A 109 10.005 6.940 4.654 1.00 0.00 H new ATOM 0 HA LYS A 109 7.330 8.090 4.283 1.00 0.00 H new ATOM 0 HB2 LYS A 109 8.872 5.686 3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 109 7.137 5.519 3.576 1.00 0.00 H new ATOM 0 HG2 LYS A 109 7.080 7.734 2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 109 8.691 7.225 1.647 1.00 0.00 H new ATOM 0 HD2 LYS A 109 6.150 5.573 1.367 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.984 6.399 0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 109 8.293 4.219 1.749 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.439 3.889 0.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 9.660 4.155 -0.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 8.925 5.617 -0.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 9.856 5.536 0.643 1.00 0.00 H new ATOM 915 N ALA A 110 6.158 6.712 6.064 1.00 0.00 N ATOM 916 CA ALA A 110 5.599 6.154 7.261 1.00 0.00 C ATOM 917 C ALA A 110 5.292 4.729 6.970 1.00 0.00 C ATOM 918 O ALA A 110 4.523 4.418 6.065 1.00 0.00 O ATOM 919 CB ALA A 110 4.336 6.802 7.826 1.00 0.00 C ATOM 0 H ALA A 110 5.492 7.197 5.463 1.00 0.00 H new ATOM 0 HA ALA A 110 6.350 6.324 8.032 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.030 6.275 8.730 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.539 7.846 8.066 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.537 6.748 7.086 1.00 0.00 H new ATOM 925 N ARG A 111 5.923 3.812 7.723 1.00 0.00 N ATOM 926 CA ARG A 111 5.853 2.440 7.370 1.00 0.00 C ATOM 927 C ARG A 111 4.627 1.893 7.999 1.00 0.00 C ATOM 928 O ARG A 111 4.245 2.283 9.101 1.00 0.00 O ATOM 929 CB ARG A 111 7.082 1.737 7.915 1.00 0.00 C ATOM 930 CG ARG A 111 7.235 0.302 7.433 1.00 0.00 C ATOM 931 CD ARG A 111 6.666 -0.702 8.428 1.00 0.00 C ATOM 932 NE ARG A 111 6.887 -2.068 7.868 1.00 0.00 N ATOM 933 CZ ARG A 111 6.274 -3.152 8.421 1.00 0.00 C ATOM 934 NH1 ARG A 111 5.308 -3.006 9.347 1.00 0.00 N ATOM 935 NH2 ARG A 111 6.543 -4.393 7.955 1.00 0.00 N ATOM 0 H ARG A 111 6.470 4.019 8.559 1.00 0.00 H new ATOM 0 HA ARG A 111 5.819 2.299 6.290 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.969 2.303 7.629 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.038 1.742 9.004 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.730 0.187 6.474 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.290 0.087 7.266 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.156 -0.601 9.396 1.00 0.00 H new ATOM 0 HD3 ARG A 111 5.603 -0.521 8.589 1.00 0.00 H new ATOM 0 HE ARG A 111 7.503 -2.191 7.064 1.00 0.00 H new ATOM 0 HH11 ARG A 111 5.024 -2.073 9.645 1.00 0.00 H new ATOM 0 HH12 ARG A 111 4.860 -3.829 9.750 1.00 0.00 H new ATOM 0 HH21 ARG A 111 7.205 -4.518 7.189 1.00 0.00 H new ATOM 0 HH22 ARG A 111 6.084 -5.204 8.369 1.00 0.00 H new ATOM 949 N LEU A 112 3.986 0.972 7.275 1.00 0.00 N ATOM 950 CA LEU A 112 2.673 0.534 7.632 1.00 0.00 C ATOM 951 C LEU A 112 2.795 -0.861 8.147 1.00 0.00 C ATOM 952 O LEU A 112 3.496 -1.119 9.121 1.00 0.00 O ATOM 953 CB LEU A 112 1.741 0.558 6.417 1.00 0.00 C ATOM 954 CG LEU A 112 1.369 1.972 5.973 1.00 0.00 C ATOM 955 CD1 LEU A 112 0.626 2.005 4.638 1.00 0.00 C ATOM 956 CD2 LEU A 112 0.587 2.720 7.046 1.00 0.00 C ATOM 0 H LEU A 112 4.371 0.527 6.442 1.00 0.00 H new ATOM 0 HA LEU A 112 2.249 1.197 8.387 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.221 0.038 5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.831 0.007 6.654 1.00 0.00 H new ATOM 0 HG LEU A 112 2.316 2.489 5.821 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.390 3.037 4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.254 1.570 3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.297 1.432 4.721 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.344 3.720 6.688 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.333 2.180 7.268 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.191 2.795 7.950 1.00 0.00 H new ATOM 968 N ASP A 113 2.018 -1.789 7.563 1.00 0.00 N ATOM 969 CA ASP A 113 2.183 -3.173 7.884 1.00 0.00 C ATOM 970 C ASP A 113 1.590 -3.959 6.766 1.00 0.00 C ATOM 971 O ASP A 113 0.744 -3.481 6.020 1.00 0.00 O ATOM 972 CB ASP A 113 1.560 -3.613 9.219 1.00 0.00 C ATOM 973 CG ASP A 113 2.265 -4.883 9.677 1.00 0.00 C ATOM 974 OD1 ASP A 113 3.492 -4.806 9.968 1.00 0.00 O ATOM 975 OD2 ASP A 113 1.617 -5.961 9.622 1.00 0.00 O ATOM 0 H ASP A 113 1.287 -1.588 6.880 1.00 0.00 H new ATOM 0 HA ASP A 113 3.251 -3.352 8.008 1.00 0.00 H new ATOM 0 HB2 ASP A 113 1.669 -2.827 9.967 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.492 -3.793 9.099 1.00 0.00 H new ATOM 980 N TRP A 114 2.054 -5.213 6.615 1.00 0.00 N ATOM 981 CA TRP A 114 1.614 -6.038 5.544 1.00 0.00 C ATOM 982 C TRP A 114 0.269 -6.610 5.898 1.00 0.00 C ATOM 983 O TRP A 114 -0.412 -7.183 5.066 1.00 0.00 O ATOM 984 CB TRP A 114 2.635 -7.168 5.304 1.00 0.00 C ATOM 985 CG TRP A 114 3.541 -6.925 4.119 1.00 0.00 C ATOM 986 CD1 TRP A 114 4.881 -7.113 3.948 1.00 0.00 C ATOM 987 CD2 TRP A 114 3.052 -6.380 2.896 1.00 0.00 C ATOM 988 NE1 TRP A 114 5.252 -6.701 2.680 1.00 0.00 N ATOM 989 CE2 TRP A 114 4.128 -6.244 2.017 1.00 0.00 C ATOM 990 CE3 TRP A 114 1.785 -6.035 2.586 1.00 0.00 C ATOM 991 CZ2 TRP A 114 3.870 -5.729 0.757 1.00 0.00 C ATOM 992 CZ3 TRP A 114 1.544 -5.506 1.343 1.00 0.00 C ATOM 993 CH2 TRP A 114 2.563 -5.392 0.420 1.00 0.00 C ATOM 0 H TRP A 114 2.734 -5.651 7.237 1.00 0.00 H new ATOM 0 HA TRP A 114 1.529 -5.452 4.629 1.00 0.00 H new ATOM 0 HB2 TRP A 114 3.246 -7.290 6.198 1.00 0.00 H new ATOM 0 HB3 TRP A 114 2.099 -8.105 5.154 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.551 -7.522 4.690 1.00 0.00 H new ATOM 0 HE1 TRP A 114 6.197 -6.730 2.298 1.00 0.00 H new ATOM 0 HE3 TRP A 114 0.983 -6.171 3.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.672 -5.591 0.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.548 -5.176 1.085 1.00 0.00 H new ATOM 0 HH2 TRP A 114 2.343 -5.037 -0.576 1.00 0.00 H new ATOM 1004 N ASN A 115 -0.210 -6.372 7.131 1.00 0.00 N ATOM 1005 CA ASN A 115 -1.494 -6.884 7.516 1.00 0.00 C ATOM 1006 C ASN A 115 -2.415 -5.714 7.650 1.00 0.00 C ATOM 1007 O ASN A 115 -3.522 -5.836 8.174 1.00 0.00 O ATOM 1008 CB ASN A 115 -1.409 -7.524 8.912 1.00 0.00 C ATOM 1009 CG ASN A 115 -2.393 -8.681 8.981 1.00 0.00 C ATOM 1010 OD1 ASN A 115 -2.071 -9.812 8.617 1.00 0.00 O ATOM 1011 ND2 ASN A 115 -3.617 -8.396 9.488 1.00 0.00 N ATOM 0 H ASN A 115 0.277 -5.837 7.850 1.00 0.00 H new ATOM 0 HA ASN A 115 -1.831 -7.614 6.780 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -0.396 -7.878 9.104 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.640 -6.786 9.680 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.315 -9.134 9.581 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -3.840 -7.444 9.777 1.00 0.00 H new ATOM 1018 N THR A 116 -2.005 -4.538 7.132 1.00 0.00 N ATOM 1019 CA THR A 116 -2.529 -3.319 7.665 1.00 0.00 C ATOM 1020 C THR A 116 -3.886 -3.037 7.073 1.00 0.00 C ATOM 1021 O THR A 116 -4.212 -3.451 5.960 1.00 0.00 O ATOM 1022 CB THR A 116 -1.536 -2.146 7.812 1.00 0.00 C ATOM 1023 OG1 THR A 116 -1.088 -2.052 9.157 1.00 0.00 O ATOM 1024 CG2 THR A 116 -2.137 -0.748 7.612 1.00 0.00 C ATOM 0 H THR A 116 -1.334 -4.433 6.371 1.00 0.00 H new ATOM 0 HA THR A 116 -2.703 -3.469 8.731 1.00 0.00 H new ATOM 0 HB THR A 116 -0.783 -2.373 7.057 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.457 -1.307 9.240 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.358 0.004 7.736 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.557 -0.673 6.609 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.923 -0.581 8.348 1.00 0.00 H new ATOM 1032 N ASP A 117 -4.727 -2.377 7.889 1.00 0.00 N ATOM 1033 CA ASP A 117 -6.040 -1.962 7.484 1.00 0.00 C ATOM 1034 C ASP A 117 -5.866 -0.771 6.596 1.00 0.00 C ATOM 1035 O ASP A 117 -5.780 0.351 7.081 1.00 0.00 O ATOM 1036 CB ASP A 117 -6.868 -1.563 8.723 1.00 0.00 C ATOM 1037 CG ASP A 117 -8.328 -1.434 8.319 1.00 0.00 C ATOM 1038 OD1 ASP A 117 -8.852 -2.381 7.676 1.00 0.00 O ATOM 1039 OD2 ASP A 117 -8.935 -0.380 8.644 1.00 0.00 O ATOM 0 H ASP A 117 -4.493 -2.125 8.849 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.560 -2.768 6.967 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.759 -2.313 9.507 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -6.505 -0.620 9.131 1.00 0.00 H new ATOM 1044 N ALA A 118 -5.926 -1.027 5.272 1.00 0.00 N ATOM 1045 CA ALA A 118 -5.729 -0.009 4.269 1.00 0.00 C ATOM 1046 C ALA A 118 -6.854 0.976 4.375 1.00 0.00 C ATOM 1047 O ALA A 118 -6.742 2.108 3.914 1.00 0.00 O ATOM 1048 CB ALA A 118 -5.937 -0.819 2.968 1.00 0.00 C ATOM 0 H ALA A 118 -6.114 -1.953 4.888 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.780 0.523 4.339 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.815 -0.162 2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -5.202 -1.623 2.918 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.941 -1.244 2.961 1.00 0.00 H new ATOM 1054 N ALA A 119 -7.918 0.588 5.100 1.00 0.00 N ATOM 1055 CA ALA A 119 -9.070 1.424 5.265 1.00 0.00 C ATOM 1056 C ALA A 119 -8.759 2.457 6.313 1.00 0.00 C ATOM 1057 O ALA A 119 -9.550 3.364 6.557 1.00 0.00 O ATOM 1058 CB ALA A 119 -9.963 0.335 5.892 1.00 0.00 C ATOM 0 H ALA A 119 -7.982 -0.312 5.576 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.451 1.956 4.393 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.944 0.754 6.117 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -10.074 -0.493 5.191 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.504 -0.027 6.812 1.00 0.00 H new ATOM 1064 N SER A 120 -7.552 2.388 6.914 1.00 0.00 N ATOM 1065 CA SER A 120 -7.146 3.400 7.849 1.00 0.00 C ATOM 1066 C SER A 120 -6.177 4.305 7.139 1.00 0.00 C ATOM 1067 O SER A 120 -5.840 5.376 7.639 1.00 0.00 O ATOM 1068 CB SER A 120 -6.455 2.837 9.099 1.00 0.00 C ATOM 1069 OG SER A 120 -6.189 3.881 10.029 1.00 0.00 O ATOM 0 H SER A 120 -6.869 1.647 6.757 1.00 0.00 H new ATOM 0 HA SER A 120 -8.042 3.918 8.190 1.00 0.00 H new ATOM 0 HB2 SER A 120 -7.088 2.080 9.563 1.00 0.00 H new ATOM 0 HB3 SER A 120 -5.524 2.345 8.818 1.00 0.00 H new ATOM 0 HG SER A 120 -6.034 4.719 9.545 1.00 0.00 H new ATOM 1075 N LEU A 121 -5.683 3.856 5.967 1.00 0.00 N ATOM 1076 CA LEU A 121 -4.764 4.643 5.189 1.00 0.00 C ATOM 1077 C LEU A 121 -5.534 5.145 4.033 1.00 0.00 C ATOM 1078 O LEU A 121 -4.977 5.572 3.027 1.00 0.00 O ATOM 1079 CB LEU A 121 -3.614 3.793 4.639 1.00 0.00 C ATOM 1080 CG LEU A 121 -2.843 3.055 5.731 1.00 0.00 C ATOM 1081 CD1 LEU A 121 -2.699 3.892 7.006 1.00 0.00 C ATOM 1082 CD2 LEU A 121 -3.504 1.737 6.126 1.00 0.00 C ATOM 0 H LEU A 121 -5.917 2.952 5.557 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.340 5.432 5.811 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.013 3.068 3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.927 4.434 4.087 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.863 2.862 5.295 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.144 3.325 7.753 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.163 4.813 6.778 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.688 4.134 7.396 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.915 1.254 6.905 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.509 1.932 6.499 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.560 1.083 5.256 1.00 0.00 H new ATOM 1094 N ILE A 122 -6.861 5.072 4.189 1.00 0.00 N ATOM 1095 CA ILE A 122 -7.760 5.305 3.098 1.00 0.00 C ATOM 1096 C ILE A 122 -7.753 6.770 2.798 1.00 0.00 C ATOM 1097 O ILE A 122 -7.723 7.613 3.694 1.00 0.00 O ATOM 1098 CB ILE A 122 -9.181 4.817 3.415 1.00 0.00 C ATOM 1099 CG1 ILE A 122 -9.894 4.135 2.243 1.00 0.00 C ATOM 1100 CG2 ILE A 122 -10.119 5.877 4.024 1.00 0.00 C ATOM 1101 CD1 ILE A 122 -9.237 2.835 1.764 1.00 0.00 C ATOM 0 H ILE A 122 -7.319 4.851 5.073 1.00 0.00 H new ATOM 0 HA ILE A 122 -7.427 4.739 2.228 1.00 0.00 H new ATOM 0 HB ILE A 122 -8.983 4.070 4.183 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -10.922 3.921 2.536 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -9.940 4.833 1.407 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -11.097 5.433 4.211 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -9.699 6.238 4.963 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -10.226 6.710 3.330 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -9.809 2.423 0.933 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -8.218 3.042 1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -9.216 2.115 2.582 1.00 0.00 H new ATOM 1113 N GLY A 123 -7.734 7.081 1.493 1.00 0.00 N ATOM 1114 CA GLY A 123 -7.797 8.446 1.046 1.00 0.00 C ATOM 1115 C GLY A 123 -6.413 9.019 1.116 1.00 0.00 C ATOM 1116 O GLY A 123 -6.240 10.213 1.342 1.00 0.00 O ATOM 0 H GLY A 123 -7.675 6.393 0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.179 8.496 0.027 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.480 9.021 1.671 1.00 0.00 H new ATOM 1120 N GLU A 124 -5.385 8.179 0.883 1.00 0.00 N ATOM 1121 CA GLU A 124 -4.034 8.641 1.006 1.00 0.00 C ATOM 1122 C GLU A 124 -3.289 8.163 -0.199 1.00 0.00 C ATOM 1123 O GLU A 124 -3.874 7.656 -1.158 1.00 0.00 O ATOM 1124 CB GLU A 124 -3.317 8.044 2.224 1.00 0.00 C ATOM 1125 CG GLU A 124 -4.054 8.271 3.549 1.00 0.00 C ATOM 1126 CD GLU A 124 -3.652 9.636 4.093 1.00 0.00 C ATOM 1127 OE1 GLU A 124 -2.420 9.918 4.148 1.00 0.00 O ATOM 1128 OE2 GLU A 124 -4.562 10.409 4.490 1.00 0.00 O ATOM 0 H GLU A 124 -5.485 7.200 0.615 1.00 0.00 H new ATOM 0 HA GLU A 124 -4.058 9.726 1.109 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -3.189 6.973 2.069 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.319 8.477 2.295 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -5.132 8.226 3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.800 7.488 4.263 1.00 0.00 H new ATOM 1135 N GLU A 125 -1.951 8.290 -0.145 1.00 0.00 N ATOM 1136 CA GLU A 125 -1.108 7.669 -1.121 1.00 0.00 C ATOM 1137 C GLU A 125 -0.345 6.609 -0.411 1.00 0.00 C ATOM 1138 O GLU A 125 0.089 6.803 0.725 1.00 0.00 O ATOM 1139 CB GLU A 125 -0.079 8.614 -1.758 1.00 0.00 C ATOM 1140 CG GLU A 125 -0.690 9.559 -2.795 1.00 0.00 C ATOM 1141 CD GLU A 125 -0.221 10.975 -2.489 1.00 0.00 C ATOM 1142 OE1 GLU A 125 -0.394 11.422 -1.318 1.00 0.00 O ATOM 1143 OE2 GLU A 125 0.342 11.623 -3.409 1.00 0.00 O ATOM 0 H GLU A 125 -1.454 8.820 0.571 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.749 7.306 -1.924 1.00 0.00 H new ATOM 0 HB2 GLU A 125 0.397 9.204 -0.975 1.00 0.00 H new ATOM 0 HB3 GLU A 125 0.704 8.022 -2.232 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -0.385 9.267 -3.800 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -1.778 9.505 -2.763 1.00 0.00 H new ATOM 1150 N LEU A 126 -0.194 5.451 -1.075 1.00 0.00 N ATOM 1151 CA LEU A 126 0.621 4.400 -0.545 1.00 0.00 C ATOM 1152 C LEU A 126 1.783 4.240 -1.470 1.00 0.00 C ATOM 1153 O LEU A 126 1.710 4.558 -2.653 1.00 0.00 O ATOM 1154 CB LEU A 126 -0.076 3.032 -0.489 1.00 0.00 C ATOM 1155 CG LEU A 126 -1.068 2.864 0.670 1.00 0.00 C ATOM 1156 CD1 LEU A 126 -0.776 1.629 1.530 1.00 0.00 C ATOM 1157 CD2 LEU A 126 -1.126 4.057 1.632 1.00 0.00 C ATOM 0 H LEU A 126 -0.632 5.241 -1.972 1.00 0.00 H new ATOM 0 HA LEU A 126 0.883 4.682 0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.605 2.870 -1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.685 2.255 -0.414 1.00 0.00 H new ATOM 0 HG LEU A 126 -2.022 2.766 0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.510 1.563 2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -0.833 0.733 0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.223 1.711 1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.851 3.854 2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -0.143 4.215 2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -1.425 4.951 1.085 1.00 0.00 H new ATOM 1169 N GLN A 127 2.899 3.707 -0.945 1.00 0.00 N ATOM 1170 CA GLN A 127 4.029 3.421 -1.780 1.00 0.00 C ATOM 1171 C GLN A 127 4.614 2.141 -1.288 1.00 0.00 C ATOM 1172 O GLN A 127 4.422 1.765 -0.134 1.00 0.00 O ATOM 1173 CB GLN A 127 5.132 4.494 -1.756 1.00 0.00 C ATOM 1174 CG GLN A 127 5.996 4.521 -3.026 1.00 0.00 C ATOM 1175 CD GLN A 127 7.445 4.770 -2.623 1.00 0.00 C ATOM 1176 OE1 GLN A 127 7.821 5.885 -2.257 1.00 0.00 O ATOM 1177 NE2 GLN A 127 8.298 3.716 -2.709 1.00 0.00 N ATOM 0 H GLN A 127 3.022 3.476 0.041 1.00 0.00 H new ATOM 0 HA GLN A 127 3.673 3.379 -2.809 1.00 0.00 H new ATOM 0 HB2 GLN A 127 4.672 5.473 -1.620 1.00 0.00 H new ATOM 0 HB3 GLN A 127 5.775 4.322 -0.893 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.910 3.576 -3.563 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.651 5.304 -3.702 1.00 0.00 H new ATOM 0 HE21 GLN A 127 7.955 2.806 -3.016 1.00 0.00 H new ATOM 0 HE22 GLN A 127 9.282 3.835 -2.467 1.00 0.00 H new ATOM 1186 N VAL A 128 5.341 1.439 -2.171 1.00 0.00 N ATOM 1187 CA VAL A 128 5.963 0.208 -1.784 1.00 0.00 C ATOM 1188 C VAL A 128 7.430 0.370 -2.020 1.00 0.00 C ATOM 1189 O VAL A 128 7.852 1.065 -2.942 1.00 0.00 O ATOM 1190 CB VAL A 128 5.430 -1.001 -2.567 1.00 0.00 C ATOM 1191 CG1 VAL A 128 6.293 -2.260 -2.425 1.00 0.00 C ATOM 1192 CG2 VAL A 128 4.023 -1.426 -2.130 1.00 0.00 C ATOM 0 H VAL A 128 5.499 1.715 -3.140 1.00 0.00 H new ATOM 0 HA VAL A 128 5.739 0.006 -0.736 1.00 0.00 H new ATOM 0 HB VAL A 128 5.439 -0.640 -3.596 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.853 -3.070 -3.006 1.00 0.00 H new ATOM 0 HG12 VAL A 128 7.299 -2.055 -2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.342 -2.551 -1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.703 -2.285 -2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 128 4.036 -1.696 -1.074 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.329 -0.600 -2.285 1.00 0.00 H new ATOM 1202 N ASP A 129 8.242 -0.240 -1.138 1.00 0.00 N ATOM 1203 CA ASP A 129 9.665 -0.191 -1.286 1.00 0.00 C ATOM 1204 C ASP A 129 10.158 -1.593 -1.137 1.00 0.00 C ATOM 1205 O ASP A 129 9.410 -2.488 -0.759 1.00 0.00 O ATOM 1206 CB ASP A 129 10.331 0.701 -0.222 1.00 0.00 C ATOM 1207 CG ASP A 129 11.084 1.812 -0.938 1.00 0.00 C ATOM 1208 OD1 ASP A 129 12.074 1.487 -1.644 1.00 0.00 O ATOM 1209 OD2 ASP A 129 10.644 2.989 -0.829 1.00 0.00 O ATOM 0 H ASP A 129 7.916 -0.765 -0.326 1.00 0.00 H new ATOM 0 HA ASP A 129 9.916 0.236 -2.257 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.580 1.121 0.447 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.013 0.114 0.393 1.00 0.00 H new ATOM 1214 N PHE A 130 11.447 -1.822 -1.445 1.00 0.00 N ATOM 1215 CA PHE A 130 11.961 -3.160 -1.447 1.00 0.00 C ATOM 1216 C PHE A 130 12.704 -3.364 -0.162 1.00 0.00 C ATOM 1217 O PHE A 130 13.289 -2.433 0.390 1.00 0.00 O ATOM 1218 CB PHE A 130 12.901 -3.463 -2.629 1.00 0.00 C ATOM 1219 CG PHE A 130 13.657 -2.216 -2.955 1.00 0.00 C ATOM 1220 CD1 PHE A 130 14.869 -1.927 -2.318 1.00 0.00 C ATOM 1221 CD2 PHE A 130 13.197 -1.326 -3.917 1.00 0.00 C ATOM 1222 CE1 PHE A 130 15.564 -0.767 -2.604 1.00 0.00 C ATOM 1223 CE2 PHE A 130 13.893 -0.162 -4.199 1.00 0.00 C ATOM 1224 CZ PHE A 130 15.074 0.119 -3.544 1.00 0.00 C ATOM 0 H PHE A 130 12.123 -1.098 -1.688 1.00 0.00 H new ATOM 0 HA PHE A 130 11.115 -3.840 -1.551 1.00 0.00 H new ATOM 0 HB2 PHE A 130 13.589 -4.268 -2.371 1.00 0.00 H new ATOM 0 HB3 PHE A 130 12.328 -3.798 -3.494 1.00 0.00 H new ATOM 0 HD1 PHE A 130 15.267 -2.621 -1.592 1.00 0.00 H new ATOM 0 HD2 PHE A 130 12.285 -1.544 -4.452 1.00 0.00 H new ATOM 0 HE1 PHE A 130 16.491 -0.553 -2.092 1.00 0.00 H new ATOM 0 HE2 PHE A 130 13.509 0.529 -4.935 1.00 0.00 H new ATOM 0 HZ PHE A 130 15.614 1.028 -3.765 1.00 0.00 H new ATOM 1234 N LEU A 131 12.679 -4.610 0.351 1.00 0.00 N ATOM 1235 CA LEU A 131 13.449 -4.934 1.514 1.00 0.00 C ATOM 1236 C LEU A 131 14.717 -5.578 1.035 1.00 0.00 C ATOM 1237 O LEU A 131 15.442 -5.033 0.206 1.00 0.00 O ATOM 1238 CB LEU A 131 12.721 -5.916 2.441 1.00 0.00 C ATOM 1239 CG LEU A 131 11.495 -5.315 3.132 1.00 0.00 C ATOM 1240 CD1 LEU A 131 10.441 -6.372 3.463 1.00 0.00 C ATOM 1241 CD2 LEU A 131 11.849 -4.517 4.391 1.00 0.00 C ATOM 0 H LEU A 131 12.134 -5.382 -0.033 1.00 0.00 H new ATOM 0 HA LEU A 131 13.630 -4.023 2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 131 12.411 -6.786 1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 131 13.418 -6.270 3.200 1.00 0.00 H new ATOM 0 HG LEU A 131 11.072 -4.619 2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 131 9.591 -5.897 3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 131 10.108 -6.854 2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 131 10.872 -7.119 4.129 1.00 0.00 H new ATOM 0 HD21 LEU A 131 10.938 -4.116 4.836 1.00 0.00 H new ATOM 0 HD22 LEU A 131 12.346 -5.170 5.108 1.00 0.00 H new ATOM 0 HD23 LEU A 131 12.515 -3.696 4.126 1.00 0.00 H new ATOM 1253 N ASP A 132 15.007 -6.787 1.548 1.00 0.00 N ATOM 1254 CA ASP A 132 16.207 -7.479 1.172 1.00 0.00 C ATOM 1255 C ASP A 132 15.955 -8.138 -0.199 1.00 0.00 C ATOM 1256 O ASP A 132 16.782 -7.917 -1.122 1.00 0.00 O ATOM 1257 CB ASP A 132 16.607 -8.582 2.164 1.00 0.00 C ATOM 1258 CG ASP A 132 16.589 -7.991 3.567 1.00 0.00 C ATOM 1259 OD1 ASP A 132 15.467 -7.774 4.101 1.00 0.00 O ATOM 1260 OD2 ASP A 132 17.693 -7.750 4.118 1.00 0.00 O ATOM 1261 OXT ASP A 132 14.984 -8.935 -0.303 1.00 0.00 O ATOM 0 H ASP A 132 14.419 -7.284 2.217 1.00 0.00 H new ATOM 0 HA ASP A 132 17.018 -6.751 1.152 1.00 0.00 H new ATOM 0 HB2 ASP A 132 15.916 -9.422 2.097 1.00 0.00 H new ATOM 0 HB3 ASP A 132 17.599 -8.965 1.926 1.00 0.00 H new TER 1266 ASP A 132