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+ -170:sc= 1.96 (180deg=1.07) USER MOD Set 1.2: A 127 GLN : amide:sc= 2.63 K(o=4.6,f=-4.6!) USER MOD Set 2.1: A 77 SER OG : rot 110:sc= 1.18 USER MOD Set 2.2: A 115 ASN : amide:sc= 0.147 X(o=1.3,f=1.1) USER MOD Set 3.1: A 76 MET CE :methyl -153:sc= 0 (180deg=-0.037) USER MOD Set 3.2: A 84 LYS NZ :NH3+ -156:sc= 1.45 (180deg=1.32) USER MOD Set 4.1: A 55 SER OG : rot 180:sc= 0.155 USER MOD Set 4.2: A 57 THR OG1 : rot -50:sc= 0.085 USER MOD Single : A 56 ASN : amide:sc= 2.39 K(o=2.4,f=-6.8!) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 65 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0108) USER MOD Single : A 66 GLN : amide:sc= 1.01 K(o=1,f=-5.4!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 71 ASN : amide:sc= -0.318 K(o=-0.32,f=-1.2) USER MOD Single : A 74 ASN : amide:sc= 0.637 K(o=0.64,f=-5.6!) USER MOD Single : A 79 HIS : no HE2:sc= -8.17! C(o=-8.2!,f=-7.2!) USER MOD Single : A 81 CYS SG : rot 69:sc= 0.114 USER MOD Single : A 83 MET CE :methyl -148:sc= 0 (180deg=-0.00597) USER MOD Single : A 87 LYS NZ :NH3+ -141:sc= 1.23 (180deg=0.0454) USER MOD Single : A 92 GLN : amide:sc= -0.17 X(o=-0.17,f=0) USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot 98:sc= 0.227 USER MOD Single : A 103 HIS : no HD1:sc= -0.45 K(o=1.9,f=-11!) USER MOD Single : A 105 HIS : no HD1:sc= -3.46! K(o=-3.5!,f=-0.96) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -160:sc= -0.0629 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 55 -12.471 8.414 2.938 1.00 0.00 N ATOM 2 CA SER A 55 -12.329 7.751 1.640 1.00 0.00 C ATOM 3 C SER A 55 -12.581 6.283 1.777 1.00 0.00 C ATOM 4 O SER A 55 -12.935 5.792 2.847 1.00 0.00 O ATOM 5 CB SER A 55 -10.903 7.945 1.093 1.00 0.00 C ATOM 6 OG SER A 55 -10.876 7.712 -0.312 1.00 0.00 O ATOM 0 HA SER A 55 -13.054 8.193 0.957 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.559 8.957 1.307 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.218 7.262 1.595 1.00 0.00 H new ATOM 0 HG SER A 55 -9.964 7.840 -0.647 1.00 0.00 H new ATOM 14 N ASN A 56 -12.399 5.552 0.664 1.00 0.00 N ATOM 15 CA ASN A 56 -12.486 4.123 0.689 1.00 0.00 C ATOM 16 C ASN A 56 -11.552 3.632 -0.374 1.00 0.00 C ATOM 17 O ASN A 56 -11.711 2.545 -0.930 1.00 0.00 O ATOM 18 CB ASN A 56 -13.918 3.627 0.434 1.00 0.00 C ATOM 19 CG ASN A 56 -14.107 2.284 1.134 1.00 0.00 C ATOM 20 OD1 ASN A 56 -14.916 2.156 2.055 1.00 0.00 O ATOM 21 ND2 ASN A 56 -13.401 1.234 0.644 1.00 0.00 N ATOM 0 H ASN A 56 -12.192 5.948 -0.253 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.213 3.740 1.673 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -14.641 4.352 0.808 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.096 3.523 -0.636 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.532 0.303 1.039 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.739 1.376 -0.119 1.00 0.00 H new ATOM 28 N THR A 57 -10.521 4.447 -0.668 1.00 0.00 N ATOM 29 CA THR A 57 -9.602 4.125 -1.720 1.00 0.00 C ATOM 30 C THR A 57 -8.248 4.579 -1.270 1.00 0.00 C ATOM 31 O THR A 57 -8.130 5.492 -0.449 1.00 0.00 O ATOM 32 CB THR A 57 -9.944 4.830 -3.046 1.00 0.00 C ATOM 33 OG1 THR A 57 -9.766 6.238 -2.923 1.00 0.00 O ATOM 34 CG2 THR A 57 -11.408 4.669 -3.464 1.00 0.00 C ATOM 0 H THR A 57 -10.324 5.322 -0.182 1.00 0.00 H new ATOM 0 HA THR A 57 -9.647 3.052 -1.909 1.00 0.00 H new ATOM 0 HB THR A 57 -9.282 4.368 -3.778 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.225 6.557 -2.118 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.577 5.191 -4.406 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.636 3.611 -3.589 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.055 5.091 -2.695 1.00 0.00 H new ATOM 42 N ILE A 58 -7.192 3.914 -1.773 1.00 0.00 N ATOM 43 CA ILE A 58 -5.854 4.366 -1.518 1.00 0.00 C ATOM 44 C ILE A 58 -5.079 4.115 -2.772 1.00 0.00 C ATOM 45 O ILE A 58 -5.419 3.233 -3.562 1.00 0.00 O ATOM 46 CB ILE A 58 -5.136 3.677 -0.341 1.00 0.00 C ATOM 47 CG1 ILE A 58 -6.089 3.019 0.667 1.00 0.00 C ATOM 48 CG2 ILE A 58 -4.158 4.608 0.406 1.00 0.00 C ATOM 49 CD1 ILE A 58 -6.540 1.611 0.260 1.00 0.00 C ATOM 0 H ILE A 58 -7.259 3.075 -2.349 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.912 5.416 -1.233 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.560 2.886 -0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.597 2.967 1.638 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.968 3.652 0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.687 4.061 1.222 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.392 4.961 -0.285 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.704 5.461 0.809 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.211 1.210 1.020 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.061 1.658 -0.696 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.669 0.963 0.167 1.00 0.00 H new ATOM 61 N ARG A 59 -4.020 4.912 -3.009 1.00 0.00 N ATOM 62 CA ARG A 59 -3.305 4.793 -4.241 1.00 0.00 C ATOM 63 C ARG A 59 -2.047 4.060 -3.947 1.00 0.00 C ATOM 64 O ARG A 59 -1.569 4.072 -2.824 1.00 0.00 O ATOM 65 CB ARG A 59 -2.974 6.168 -4.809 1.00 0.00 C ATOM 66 CG ARG A 59 -4.210 6.898 -5.338 1.00 0.00 C ATOM 67 CD ARG A 59 -4.551 8.187 -4.579 1.00 0.00 C ATOM 68 NE ARG A 59 -3.513 9.215 -4.903 1.00 0.00 N ATOM 69 CZ ARG A 59 -3.334 9.667 -6.176 1.00 0.00 C ATOM 70 NH1 ARG A 59 -4.174 9.306 -7.165 1.00 0.00 N ATOM 71 NH2 ARG A 59 -2.388 10.600 -6.429 1.00 0.00 N ATOM 0 H ARG A 59 -3.667 5.621 -2.366 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.910 4.265 -4.978 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.503 6.773 -4.035 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.248 6.059 -5.615 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.054 7.139 -6.389 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.065 6.224 -5.289 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.541 8.544 -4.864 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.577 7.999 -3.506 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.927 9.585 -4.155 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.959 8.685 -6.967 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.026 9.653 -8.112 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.812 10.962 -5.669 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.250 10.942 -7.380 1.00 0.00 H new ATOM 85 N VAL A 60 -1.511 3.362 -4.962 1.00 0.00 N ATOM 86 CA VAL A 60 -0.313 2.601 -4.769 1.00 0.00 C ATOM 87 C VAL A 60 0.704 3.146 -5.713 1.00 0.00 C ATOM 88 O VAL A 60 0.372 3.533 -6.827 1.00 0.00 O ATOM 89 CB VAL A 60 -0.493 1.102 -5.058 1.00 0.00 C ATOM 90 CG1 VAL A 60 0.731 0.255 -4.691 1.00 0.00 C ATOM 91 CG2 VAL A 60 -1.717 0.498 -4.358 1.00 0.00 C ATOM 0 H VAL A 60 -1.899 3.322 -5.905 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.016 2.687 -3.724 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.637 1.067 -6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.532 -0.791 -4.922 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.594 0.595 -5.264 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.939 0.358 -3.626 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.789 -0.562 -4.601 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.615 0.616 -3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.618 1.010 -4.695 1.00 0.00 H new ATOM 101 N PHE A 61 1.963 3.230 -5.245 1.00 0.00 N ATOM 102 CA PHE A 61 3.035 3.672 -6.087 1.00 0.00 C ATOM 103 C PHE A 61 4.106 2.636 -5.974 1.00 0.00 C ATOM 104 O PHE A 61 4.387 2.131 -4.887 1.00 0.00 O ATOM 105 CB PHE A 61 3.624 5.012 -5.623 1.00 0.00 C ATOM 106 CG PHE A 61 2.729 6.103 -6.109 1.00 0.00 C ATOM 107 CD1 PHE A 61 1.500 6.348 -5.488 1.00 0.00 C ATOM 108 CD2 PHE A 61 3.118 6.944 -7.139 1.00 0.00 C ATOM 109 CE1 PHE A 61 0.681 7.374 -5.914 1.00 0.00 C ATOM 110 CE2 PHE A 61 2.315 8.002 -7.533 1.00 0.00 C ATOM 111 CZ PHE A 61 1.099 8.220 -6.918 1.00 0.00 C ATOM 0 H PHE A 61 2.239 2.994 -4.292 1.00 0.00 H new ATOM 0 HA PHE A 61 2.664 3.808 -7.103 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.701 5.038 -4.536 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.632 5.142 -6.017 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.187 5.725 -4.663 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.059 6.773 -7.641 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.289 7.514 -5.460 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.642 8.659 -8.325 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.478 9.050 -7.222 1.00 0.00 H new ATOM 121 N LEU A 62 4.723 2.254 -7.109 1.00 0.00 N ATOM 122 CA LEU A 62 5.628 1.143 -7.077 1.00 0.00 C ATOM 123 C LEU A 62 7.013 1.697 -6.906 1.00 0.00 C ATOM 124 O LEU A 62 7.281 2.867 -7.186 1.00 0.00 O ATOM 125 CB LEU A 62 5.589 0.303 -8.360 1.00 0.00 C ATOM 126 CG LEU A 62 4.325 -0.556 -8.517 1.00 0.00 C ATOM 127 CD1 LEU A 62 4.617 -2.056 -8.558 1.00 0.00 C ATOM 128 CD2 LEU A 62 3.196 -0.245 -7.515 1.00 0.00 C ATOM 0 H LEU A 62 4.602 2.696 -8.020 1.00 0.00 H new ATOM 0 HA LEU A 62 5.336 0.487 -6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.670 0.969 -9.219 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.462 -0.349 -8.379 1.00 0.00 H new ATOM 0 HG LEU A 62 3.946 -0.259 -9.495 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.682 -2.606 -8.670 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.271 -2.276 -9.402 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.106 -2.357 -7.631 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.348 -0.903 -7.707 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.557 -0.405 -6.499 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.883 0.793 -7.630 1.00 0.00 H new ATOM 140 N PRO A 63 7.904 0.770 -6.576 1.00 0.00 N ATOM 141 CA PRO A 63 9.234 1.324 -6.447 1.00 0.00 C ATOM 142 C PRO A 63 9.821 1.239 -7.836 1.00 0.00 C ATOM 143 O PRO A 63 10.932 1.703 -8.080 1.00 0.00 O ATOM 144 CB PRO A 63 9.996 0.405 -5.515 1.00 0.00 C ATOM 145 CG PRO A 63 9.058 -0.752 -5.178 1.00 0.00 C ATOM 146 CD PRO A 63 7.676 -0.343 -5.676 1.00 0.00 C ATOM 0 HA PRO A 63 9.261 2.344 -6.063 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.906 0.040 -5.990 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.299 0.934 -4.611 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.388 -1.673 -5.660 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.044 -0.941 -4.105 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.183 -1.169 -6.189 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.030 -0.052 -4.847 1.00 0.00 H new ATOM 154 N ASN A 64 9.043 0.717 -8.809 1.00 0.00 N ATOM 155 CA ASN A 64 9.468 0.727 -10.179 1.00 0.00 C ATOM 156 C ASN A 64 8.881 1.955 -10.815 1.00 0.00 C ATOM 157 O ASN A 64 8.682 2.000 -12.028 1.00 0.00 O ATOM 158 CB ASN A 64 8.984 -0.502 -10.967 1.00 0.00 C ATOM 159 CG ASN A 64 9.566 -1.747 -10.311 1.00 0.00 C ATOM 160 OD1 ASN A 64 10.783 -1.899 -10.202 1.00 0.00 O ATOM 161 ND2 ASN A 64 8.677 -2.670 -9.860 1.00 0.00 N ATOM 0 H ASN A 64 8.129 0.293 -8.649 1.00 0.00 H new ATOM 0 HA ASN A 64 10.558 0.715 -10.200 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.895 -0.547 -10.969 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.303 -0.436 -12.007 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.011 -3.524 -9.413 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.676 -2.509 -9.968 1.00 0.00 H new ATOM 168 N LYS A 65 8.519 2.953 -9.975 1.00 0.00 N ATOM 169 CA LYS A 65 8.066 4.228 -10.460 1.00 0.00 C ATOM 170 C LYS A 65 6.650 4.077 -10.930 1.00 0.00 C ATOM 171 O LYS A 65 6.082 4.994 -11.524 1.00 0.00 O ATOM 172 CB LYS A 65 8.921 4.855 -11.570 1.00 0.00 C ATOM 173 CG LYS A 65 10.427 4.659 -11.367 1.00 0.00 C ATOM 174 CD LYS A 65 10.946 5.190 -10.024 1.00 0.00 C ATOM 175 CE LYS A 65 10.601 6.659 -9.764 1.00 0.00 C ATOM 176 NZ LYS A 65 11.261 7.511 -10.749 1.00 0.00 N ATOM 0 H LYS A 65 8.541 2.875 -8.958 1.00 0.00 H new ATOM 0 HA LYS A 65 8.152 4.921 -9.623 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.632 4.422 -12.528 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.706 5.922 -11.624 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.659 3.596 -11.441 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.961 5.159 -12.175 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.533 4.582 -9.219 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.029 5.070 -9.991 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.521 6.801 -9.814 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.914 6.942 -8.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.048 8.508 -10.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.289 7.360 -10.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.916 7.272 -11.701 1.00 0.00 H new ATOM 190 N GLN A 66 6.040 2.912 -10.638 1.00 0.00 N ATOM 191 CA GLN A 66 4.720 2.637 -11.124 1.00 0.00 C ATOM 192 C GLN A 66 3.746 3.032 -10.077 1.00 0.00 C ATOM 193 O GLN A 66 4.091 3.701 -9.110 1.00 0.00 O ATOM 194 CB GLN A 66 4.500 1.161 -11.476 1.00 0.00 C ATOM 195 CG GLN A 66 4.698 0.845 -12.955 1.00 0.00 C ATOM 196 CD GLN A 66 3.426 1.227 -13.690 1.00 0.00 C ATOM 197 OE1 GLN A 66 2.411 0.534 -13.606 1.00 0.00 O ATOM 198 NE2 GLN A 66 3.467 2.374 -14.396 1.00 0.00 N ATOM 0 H GLN A 66 6.453 2.170 -10.074 1.00 0.00 H new ATOM 0 HA GLN A 66 4.584 3.206 -12.044 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.186 0.551 -10.889 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.489 0.874 -11.185 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.549 1.398 -13.352 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.914 -0.214 -13.093 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.330 2.916 -14.438 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.635 2.700 -14.888 1.00 0.00 H new ATOM 207 N ARG A 67 2.460 2.742 -10.342 1.00 0.00 N ATOM 208 CA ARG A 67 1.427 3.142 -9.444 1.00 0.00 C ATOM 209 C ARG A 67 0.133 2.594 -9.957 1.00 0.00 C ATOM 210 O ARG A 67 0.056 2.085 -11.074 1.00 0.00 O ATOM 211 CB ARG A 67 1.289 4.662 -9.334 1.00 0.00 C ATOM 212 CG ARG A 67 1.429 5.395 -10.672 1.00 0.00 C ATOM 213 CD ARG A 67 2.703 6.243 -10.766 1.00 0.00 C ATOM 214 NE ARG A 67 3.434 5.854 -12.010 1.00 0.00 N ATOM 215 CZ ARG A 67 2.900 6.088 -13.241 1.00 0.00 C ATOM 216 NH1 ARG A 67 1.666 6.614 -13.373 1.00 0.00 N ATOM 217 NH2 ARG A 67 3.609 5.785 -14.352 1.00 0.00 N ATOM 0 H ARG A 67 2.140 2.237 -11.168 1.00 0.00 H new ATOM 0 HA ARG A 67 1.680 2.761 -8.455 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.317 4.899 -8.901 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.045 5.037 -8.644 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.426 4.665 -11.481 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.561 6.038 -10.819 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.453 7.304 -10.789 1.00 0.00 H new ATOM 0 HD3 ARG A 67 3.332 6.082 -9.890 1.00 0.00 H new ATOM 0 HE ARG A 67 4.347 5.406 -11.936 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.118 6.843 -12.544 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.280 6.783 -14.302 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.542 5.382 -14.267 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.211 5.960 -15.275 1.00 0.00 H new ATOM 231 N THR A 68 -0.907 2.677 -9.105 1.00 0.00 N ATOM 232 CA THR A 68 -2.236 2.304 -9.493 1.00 0.00 C ATOM 233 C THR A 68 -3.127 2.674 -8.345 1.00 0.00 C ATOM 234 O THR A 68 -2.680 3.289 -7.378 1.00 0.00 O ATOM 235 CB THR A 68 -2.407 0.813 -9.845 1.00 0.00 C ATOM 236 OG1 THR A 68 -3.676 0.588 -10.442 1.00 0.00 O ATOM 237 CG2 THR A 68 -2.203 -0.144 -8.661 1.00 0.00 C ATOM 0 H THR A 68 -0.827 3.004 -8.142 1.00 0.00 H new ATOM 0 HA THR A 68 -2.489 2.829 -10.414 1.00 0.00 H new ATOM 0 HB THR A 68 -1.611 0.585 -10.554 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.770 -0.362 -10.662 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.341 -1.172 -8.996 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.194 -0.024 -8.266 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.928 0.084 -7.880 1.00 0.00 H new ATOM 245 N VAL A 69 -4.423 2.318 -8.426 1.00 0.00 N ATOM 246 CA VAL A 69 -5.315 2.585 -7.337 1.00 0.00 C ATOM 247 C VAL A 69 -5.851 1.274 -6.872 1.00 0.00 C ATOM 248 O VAL A 69 -6.031 0.344 -7.660 1.00 0.00 O ATOM 249 CB VAL A 69 -6.479 3.522 -7.687 1.00 0.00 C ATOM 250 CG1 VAL A 69 -7.178 3.171 -9.007 1.00 0.00 C ATOM 251 CG2 VAL A 69 -7.496 3.717 -6.544 1.00 0.00 C ATOM 0 H VAL A 69 -4.848 1.854 -9.229 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.749 3.105 -6.564 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.996 4.488 -7.834 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.989 3.876 -9.188 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.460 3.227 -9.825 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.582 2.160 -8.947 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.287 4.392 -6.872 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.930 2.754 -6.275 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.991 4.143 -5.677 1.00 0.00 H new ATOM 261 N VAL A 70 -6.109 1.179 -5.557 1.00 0.00 N ATOM 262 CA VAL A 70 -6.602 -0.040 -4.994 1.00 0.00 C ATOM 263 C VAL A 70 -7.703 0.320 -4.049 1.00 0.00 C ATOM 264 O VAL A 70 -7.821 1.467 -3.611 1.00 0.00 O ATOM 265 CB VAL A 70 -5.526 -0.831 -4.239 1.00 0.00 C ATOM 266 CG1 VAL A 70 -4.431 -1.377 -5.156 1.00 0.00 C ATOM 267 CG2 VAL A 70 -4.847 -0.032 -3.112 1.00 0.00 C ATOM 0 H VAL A 70 -5.978 1.938 -4.888 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.946 -0.681 -5.806 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.083 -1.659 -3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.700 -1.927 -4.563 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.874 -2.045 -5.895 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.937 -0.550 -5.665 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.098 -0.656 -2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.365 0.851 -3.531 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.596 0.275 -2.382 1.00 0.00 H new ATOM 277 N ASN A 71 -8.540 -0.677 -3.707 1.00 0.00 N ATOM 278 CA ASN A 71 -9.636 -0.440 -2.815 1.00 0.00 C ATOM 279 C ASN A 71 -9.444 -1.351 -1.644 1.00 0.00 C ATOM 280 O ASN A 71 -8.619 -2.264 -1.682 1.00 0.00 O ATOM 281 CB ASN A 71 -11.002 -0.757 -3.445 1.00 0.00 C ATOM 282 CG ASN A 71 -11.226 0.204 -4.606 1.00 0.00 C ATOM 283 OD1 ASN A 71 -11.558 1.372 -4.407 1.00 0.00 O ATOM 284 ND2 ASN A 71 -11.042 -0.292 -5.859 1.00 0.00 N ATOM 0 H ASN A 71 -8.461 -1.637 -4.043 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.641 0.616 -2.546 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.029 -1.789 -3.795 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.795 -0.651 -2.705 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.179 0.310 -6.671 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.767 -1.266 -5.987 1.00 0.00 H new ATOM 291 N VAL A 72 -10.217 -1.119 -0.568 1.00 0.00 N ATOM 292 CA VAL A 72 -10.097 -1.941 0.600 1.00 0.00 C ATOM 293 C VAL A 72 -11.484 -2.196 1.103 1.00 0.00 C ATOM 294 O VAL A 72 -12.420 -1.464 0.782 1.00 0.00 O ATOM 295 CB VAL A 72 -9.261 -1.284 1.709 1.00 0.00 C ATOM 296 CG1 VAL A 72 -9.950 -0.090 2.374 1.00 0.00 C ATOM 297 CG2 VAL A 72 -8.787 -2.260 2.796 1.00 0.00 C ATOM 0 H VAL A 72 -10.914 -0.377 -0.504 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.580 -2.862 0.331 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.384 -0.922 1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.300 0.322 3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -10.154 0.676 1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -10.887 -0.416 2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.204 -1.719 3.541 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.652 -2.719 3.275 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.168 -3.035 2.344 1.00 0.00 H new ATOM 307 N ARG A 73 -11.638 -3.261 1.912 1.00 0.00 N ATOM 308 CA ARG A 73 -12.898 -3.522 2.542 1.00 0.00 C ATOM 309 C ARG A 73 -12.598 -3.890 3.957 1.00 0.00 C ATOM 310 O ARG A 73 -11.442 -4.109 4.323 1.00 0.00 O ATOM 311 CB ARG A 73 -13.673 -4.680 1.890 1.00 0.00 C ATOM 312 CG ARG A 73 -15.191 -4.622 2.116 1.00 0.00 C ATOM 313 CD ARG A 73 -15.798 -3.241 1.844 1.00 0.00 C ATOM 314 NE ARG A 73 -15.878 -2.521 3.151 1.00 0.00 N ATOM 315 CZ ARG A 73 -15.936 -1.163 3.197 1.00 0.00 C ATOM 316 NH1 ARG A 73 -15.747 -0.427 2.085 1.00 0.00 N ATOM 317 NH2 ARG A 73 -16.076 -0.538 4.387 1.00 0.00 N ATOM 0 H ARG A 73 -10.902 -3.933 2.128 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.524 -2.635 2.450 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.475 -4.678 0.818 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.294 -5.624 2.282 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.675 -5.356 1.471 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.408 -4.909 3.145 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.183 -2.684 1.137 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.788 -3.338 1.398 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.889 -3.055 4.020 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.558 -0.887 1.195 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.793 0.591 2.133 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -16.138 -1.085 5.246 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.120 0.480 4.426 1.00 0.00 H new ATOM 331 N ASN A 74 -13.653 -4.011 4.782 1.00 0.00 N ATOM 332 CA ASN A 74 -13.465 -4.359 6.163 1.00 0.00 C ATOM 333 C ASN A 74 -13.184 -5.828 6.223 1.00 0.00 C ATOM 334 O ASN A 74 -14.084 -6.655 6.067 1.00 0.00 O ATOM 335 CB ASN A 74 -14.629 -4.006 7.109 1.00 0.00 C ATOM 336 CG ASN A 74 -15.924 -3.973 6.306 1.00 0.00 C ATOM 337 OD1 ASN A 74 -16.426 -2.905 5.950 1.00 0.00 O ATOM 338 ND2 ASN A 74 -16.471 -5.173 5.979 1.00 0.00 N ATOM 0 H ASN A 74 -14.624 -3.871 4.502 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.636 -3.753 6.528 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.701 -4.742 7.910 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.452 -3.039 7.580 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -17.324 -5.210 5.422 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.028 -6.037 6.291 1.00 0.00 H new ATOM 345 N GLY A 75 -11.902 -6.174 6.438 1.00 0.00 N ATOM 346 CA GLY A 75 -11.501 -7.552 6.418 1.00 0.00 C ATOM 347 C GLY A 75 -10.288 -7.648 5.553 1.00 0.00 C ATOM 348 O GLY A 75 -9.567 -8.643 5.588 1.00 0.00 O ATOM 0 H GLY A 75 -11.149 -5.511 6.624 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.283 -7.904 7.426 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.302 -8.180 6.028 1.00 0.00 H new ATOM 352 N MET A 76 -10.044 -6.605 4.735 1.00 0.00 N ATOM 353 CA MET A 76 -8.940 -6.638 3.821 1.00 0.00 C ATOM 354 C MET A 76 -7.719 -6.199 4.555 1.00 0.00 C ATOM 355 O MET A 76 -7.792 -5.605 5.631 1.00 0.00 O ATOM 356 CB MET A 76 -9.113 -5.738 2.590 1.00 0.00 C ATOM 357 CG MET A 76 -10.119 -6.296 1.585 1.00 0.00 C ATOM 358 SD MET A 76 -9.905 -5.473 -0.026 1.00 0.00 S ATOM 359 CE MET A 76 -11.252 -6.272 -0.954 1.00 0.00 C ATOM 0 H MET A 76 -10.601 -5.751 4.705 1.00 0.00 H new ATOM 0 HA MET A 76 -8.868 -7.660 3.450 1.00 0.00 H new ATOM 0 HB2 MET A 76 -9.439 -4.749 2.912 1.00 0.00 H new ATOM 0 HB3 MET A 76 -8.148 -5.612 2.099 1.00 0.00 H new ATOM 0 HG2 MET A 76 -9.979 -7.371 1.476 1.00 0.00 H new ATOM 0 HG3 MET A 76 -11.135 -6.142 1.950 1.00 0.00 H new ATOM 0 HE1 MET A 76 -11.006 -6.283 -2.016 1.00 0.00 H new ATOM 0 HE2 MET A 76 -11.380 -7.295 -0.601 1.00 0.00 H new ATOM 0 HE3 MET A 76 -12.178 -5.717 -0.802 1.00 0.00 H new ATOM 369 N SER A 77 -6.559 -6.445 3.930 1.00 0.00 N ATOM 370 CA SER A 77 -5.306 -6.192 4.576 1.00 0.00 C ATOM 371 C SER A 77 -4.574 -5.207 3.758 1.00 0.00 C ATOM 372 O SER A 77 -5.159 -4.493 2.960 1.00 0.00 O ATOM 373 CB SER A 77 -4.400 -7.426 4.608 1.00 0.00 C ATOM 374 OG SER A 77 -5.055 -8.510 5.250 1.00 0.00 O ATOM 0 H SER A 77 -6.484 -6.817 2.983 1.00 0.00 H new ATOM 0 HA SER A 77 -5.526 -5.867 5.593 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.127 -7.710 3.592 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.474 -7.191 5.133 1.00 0.00 H new ATOM 0 HG SER A 77 -5.283 -9.194 4.586 1.00 0.00 H new ATOM 380 N LEU A 78 -3.276 -5.079 4.073 1.00 0.00 N ATOM 381 CA LEU A 78 -2.357 -4.424 3.210 1.00 0.00 C ATOM 382 C LEU A 78 -1.993 -5.388 2.129 1.00 0.00 C ATOM 383 O LEU A 78 -1.947 -5.016 1.002 1.00 0.00 O ATOM 384 CB LEU A 78 -1.100 -4.058 3.994 1.00 0.00 C ATOM 385 CG LEU A 78 -0.901 -2.555 4.164 1.00 0.00 C ATOM 386 CD1 LEU A 78 -0.763 -1.842 2.872 1.00 0.00 C ATOM 387 CD2 LEU A 78 -2.137 -1.815 4.645 1.00 0.00 C ATOM 0 H LEU A 78 -2.863 -5.434 4.935 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.797 -3.517 2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.148 -4.523 4.979 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.231 -4.476 3.486 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.043 -2.538 4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.624 -0.777 3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.100 -2.232 2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.663 -1.992 2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.911 -0.753 4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.945 -1.951 3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.443 -2.209 5.614 1.00 0.00 H new ATOM 399 N HIS A 79 -1.745 -6.661 2.482 1.00 0.00 N ATOM 400 CA HIS A 79 -1.256 -7.618 1.527 1.00 0.00 C ATOM 401 C HIS A 79 -2.388 -8.044 0.630 1.00 0.00 C ATOM 402 O HIS A 79 -2.189 -8.298 -0.544 1.00 0.00 O ATOM 403 CB HIS A 79 -0.701 -8.887 2.190 1.00 0.00 C ATOM 404 CG HIS A 79 0.743 -9.153 1.874 1.00 0.00 C ATOM 405 ND1 HIS A 79 1.337 -8.744 0.708 1.00 0.00 N ATOM 406 CD2 HIS A 79 1.706 -9.691 2.639 1.00 0.00 C ATOM 407 CE1 HIS A 79 2.638 -8.985 0.803 1.00 0.00 C ATOM 408 NE2 HIS A 79 2.882 -9.590 1.952 1.00 0.00 N ATOM 0 H HIS A 79 -1.881 -7.031 3.423 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.452 -7.130 0.976 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.817 -8.802 3.270 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.297 -9.742 1.872 1.00 0.00 H new ATOM 0 HD1 HIS A 79 0.862 -8.327 -0.093 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.575 -10.125 3.619 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.379 -8.728 0.060 1.00 0.00 H new ATOM 417 N ASP A 80 -3.594 -8.278 1.186 1.00 0.00 N ATOM 418 CA ASP A 80 -4.672 -8.791 0.381 1.00 0.00 C ATOM 419 C ASP A 80 -5.234 -7.648 -0.401 1.00 0.00 C ATOM 420 O ASP A 80 -5.926 -7.839 -1.401 1.00 0.00 O ATOM 421 CB ASP A 80 -5.805 -9.394 1.221 1.00 0.00 C ATOM 422 CG ASP A 80 -5.205 -10.449 2.138 1.00 0.00 C ATOM 423 OD1 ASP A 80 -4.996 -11.595 1.664 1.00 0.00 O ATOM 424 OD2 ASP A 80 -4.929 -10.103 3.320 1.00 0.00 O ATOM 0 H ASP A 80 -3.823 -8.118 2.167 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.274 -9.583 -0.254 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.299 -8.618 1.806 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.563 -9.838 0.575 1.00 0.00 H new ATOM 429 N CYS A 81 -4.942 -6.422 0.057 1.00 0.00 N ATOM 430 CA CYS A 81 -5.204 -5.251 -0.726 1.00 0.00 C ATOM 431 C CYS A 81 -4.094 -5.147 -1.727 1.00 0.00 C ATOM 432 O CYS A 81 -4.326 -5.084 -2.933 1.00 0.00 O ATOM 433 CB CYS A 81 -5.100 -4.057 0.238 1.00 0.00 C ATOM 434 SG CYS A 81 -5.282 -2.482 -0.666 1.00 0.00 S ATOM 0 H CYS A 81 -4.524 -6.237 0.969 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.175 -5.279 -1.221 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.871 -4.134 1.004 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.138 -4.079 0.750 1.00 0.00 H new ATOM 0 HG CYS A 81 -6.506 -2.363 -1.087 1.00 0.00 H new ATOM 440 N LEU A 82 -2.851 -5.231 -1.230 1.00 0.00 N ATOM 441 CA LEU A 82 -1.699 -5.139 -2.067 1.00 0.00 C ATOM 442 C LEU A 82 -1.373 -6.505 -2.533 1.00 0.00 C ATOM 443 O LEU A 82 -0.336 -7.086 -2.206 1.00 0.00 O ATOM 444 CB LEU A 82 -0.548 -4.490 -1.345 1.00 0.00 C ATOM 445 CG LEU A 82 -0.215 -3.131 -1.929 1.00 0.00 C ATOM 446 CD1 LEU A 82 0.140 -2.085 -0.871 1.00 0.00 C ATOM 447 CD2 LEU A 82 0.646 -3.266 -3.148 1.00 0.00 C ATOM 0 H LEU A 82 -2.642 -5.364 -0.240 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.902 -4.501 -2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.795 -4.382 -0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.328 -5.136 -1.403 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.115 -2.667 -2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.367 -1.137 -1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.704 -1.952 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.010 -2.420 -0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.870 -2.277 -3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.576 -3.769 -2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.119 -3.851 -3.902 1.00 0.00 H new ATOM 459 N MET A 83 -2.244 -6.944 -3.431 1.00 0.00 N ATOM 460 CA MET A 83 -2.256 -8.278 -3.932 1.00 0.00 C ATOM 461 C MET A 83 -2.785 -8.159 -5.318 1.00 0.00 C ATOM 462 O MET A 83 -2.130 -8.593 -6.256 1.00 0.00 O ATOM 463 CB MET A 83 -3.189 -9.167 -3.089 1.00 0.00 C ATOM 464 CG MET A 83 -3.867 -10.288 -3.879 1.00 0.00 C ATOM 465 SD MET A 83 -4.173 -11.715 -2.788 1.00 0.00 S ATOM 466 CE MET A 83 -5.869 -11.328 -2.250 1.00 0.00 C ATOM 0 H MET A 83 -2.973 -6.354 -3.831 1.00 0.00 H new ATOM 0 HA MET A 83 -1.266 -8.734 -3.898 1.00 0.00 H new ATOM 0 HB2 MET A 83 -2.615 -9.608 -2.274 1.00 0.00 H new ATOM 0 HB3 MET A 83 -3.957 -8.541 -2.635 1.00 0.00 H new ATOM 0 HG2 MET A 83 -4.808 -9.932 -4.299 1.00 0.00 H new ATOM 0 HG3 MET A 83 -3.237 -10.588 -4.717 1.00 0.00 H new ATOM 0 HE1 MET A 83 -6.021 -11.693 -1.234 1.00 0.00 H new ATOM 0 HE2 MET A 83 -6.021 -10.249 -2.274 1.00 0.00 H new ATOM 0 HE3 MET A 83 -6.582 -11.810 -2.919 1.00 0.00 H new ATOM 476 N LYS A 84 -3.897 -7.400 -5.439 1.00 0.00 N ATOM 477 CA LYS A 84 -4.426 -6.978 -6.707 1.00 0.00 C ATOM 478 C LYS A 84 -3.315 -6.427 -7.538 1.00 0.00 C ATOM 479 O LYS A 84 -3.080 -6.878 -8.660 1.00 0.00 O ATOM 480 CB LYS A 84 -5.299 -5.743 -6.460 1.00 0.00 C ATOM 481 CG LYS A 84 -6.709 -6.083 -6.010 1.00 0.00 C ATOM 482 CD LYS A 84 -6.891 -6.063 -4.489 1.00 0.00 C ATOM 483 CE LYS A 84 -8.177 -6.751 -4.022 1.00 0.00 C ATOM 484 NZ LYS A 84 -8.198 -6.835 -2.566 1.00 0.00 N ATOM 0 H LYS A 84 -4.439 -7.073 -4.639 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.943 -7.818 -7.171 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.825 -5.117 -5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.350 -5.154 -7.376 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.405 -5.375 -6.460 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.972 -7.072 -6.386 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.036 -6.551 -4.022 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.895 -5.029 -4.144 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.045 -6.195 -4.375 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.242 -7.750 -4.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.816 -7.618 -2.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.234 -7.004 -2.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -8.559 -5.943 -2.172 1.00 0.00 H new ATOM 498 N ALA A 85 -2.658 -5.391 -6.993 1.00 0.00 N ATOM 499 CA ALA A 85 -1.887 -4.484 -7.806 1.00 0.00 C ATOM 500 C ALA A 85 -0.568 -5.125 -8.118 1.00 0.00 C ATOM 501 O ALA A 85 0.298 -4.517 -8.743 1.00 0.00 O ATOM 502 CB ALA A 85 -1.592 -3.186 -7.037 1.00 0.00 C ATOM 0 H ALA A 85 -2.655 -5.175 -5.996 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.454 -4.260 -8.710 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.009 -2.514 -7.667 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.531 -2.704 -6.763 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.027 -3.418 -6.134 1.00 0.00 H new ATOM 508 N LEU A 86 -0.365 -6.357 -7.629 1.00 0.00 N ATOM 509 CA LEU A 86 0.900 -7.012 -7.771 1.00 0.00 C ATOM 510 C LEU A 86 0.656 -8.198 -8.613 1.00 0.00 C ATOM 511 O LEU A 86 1.499 -8.575 -9.402 1.00 0.00 O ATOM 512 CB LEU A 86 1.335 -7.615 -6.436 1.00 0.00 C ATOM 513 CG LEU A 86 1.438 -6.612 -5.287 1.00 0.00 C ATOM 514 CD1 LEU A 86 2.609 -5.639 -5.420 1.00 0.00 C ATOM 515 CD2 LEU A 86 0.220 -5.698 -5.118 1.00 0.00 C ATOM 0 H LEU A 86 -1.073 -6.902 -7.136 1.00 0.00 H new ATOM 0 HA LEU A 86 1.632 -6.302 -8.156 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.627 -8.395 -6.157 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.304 -8.096 -6.568 1.00 0.00 H new ATOM 0 HG LEU A 86 1.550 -7.285 -4.437 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.616 -4.959 -4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.545 -6.197 -5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.503 -5.065 -6.341 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.386 -5.022 -4.279 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.072 -5.117 -6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.666 -6.304 -4.926 1.00 0.00 H new ATOM 527 N LYS A 87 -0.486 -8.859 -8.360 1.00 0.00 N ATOM 528 CA LYS A 87 -0.880 -10.007 -9.123 1.00 0.00 C ATOM 529 C LYS A 87 -1.013 -9.600 -10.557 1.00 0.00 C ATOM 530 O LYS A 87 -0.649 -10.352 -11.459 1.00 0.00 O ATOM 531 CB LYS A 87 -2.280 -10.413 -8.686 1.00 0.00 C ATOM 532 CG LYS A 87 -2.541 -11.903 -8.802 1.00 0.00 C ATOM 533 CD LYS A 87 -3.213 -12.305 -10.120 1.00 0.00 C ATOM 534 CE LYS A 87 -2.529 -13.481 -10.825 1.00 0.00 C ATOM 535 NZ LYS A 87 -1.180 -13.104 -11.238 1.00 0.00 N ATOM 0 H LYS A 87 -1.142 -8.599 -7.623 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.152 -10.806 -8.985 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.433 -10.105 -7.652 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.011 -9.876 -9.290 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.596 -12.438 -8.707 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.171 -12.219 -7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.253 -12.566 -9.923 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.221 -11.446 -10.790 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.486 -14.341 -10.156 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.113 -13.783 -11.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.976 -13.513 -12.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.110 -12.068 -11.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.492 -13.463 -10.545 1.00 0.00 H new ATOM 549 N VAL A 88 -1.605 -8.413 -10.773 1.00 0.00 N ATOM 550 CA VAL A 88 -1.891 -7.943 -12.101 1.00 0.00 C ATOM 551 C VAL A 88 -0.578 -7.674 -12.801 1.00 0.00 C ATOM 552 O VAL A 88 -0.487 -7.734 -14.024 1.00 0.00 O ATOM 553 CB VAL A 88 -2.735 -6.659 -12.064 1.00 0.00 C ATOM 554 CG1 VAL A 88 -1.981 -5.442 -11.530 1.00 0.00 C ATOM 555 CG2 VAL A 88 -3.224 -6.175 -13.421 1.00 0.00 C ATOM 0 H VAL A 88 -1.888 -7.774 -10.030 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.463 -8.701 -12.636 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.555 -6.976 -11.420 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.641 -4.575 -11.534 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.647 -5.639 -10.511 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.116 -5.243 -12.163 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.810 -5.265 -13.293 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.368 -5.969 -14.064 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.845 -6.945 -13.880 1.00 0.00 H new ATOM 565 N ARG A 89 0.480 -7.396 -12.013 1.00 0.00 N ATOM 566 CA ARG A 89 1.764 -7.092 -12.570 1.00 0.00 C ATOM 567 C ARG A 89 2.515 -8.372 -12.704 1.00 0.00 C ATOM 568 O ARG A 89 3.163 -8.628 -13.715 1.00 0.00 O ATOM 569 CB ARG A 89 2.498 -6.213 -11.559 1.00 0.00 C ATOM 570 CG ARG A 89 1.926 -4.810 -11.499 1.00 0.00 C ATOM 571 CD ARG A 89 2.902 -3.785 -10.934 1.00 0.00 C ATOM 572 NE ARG A 89 2.545 -2.449 -11.500 1.00 0.00 N ATOM 573 CZ ARG A 89 1.502 -1.730 -11.001 1.00 0.00 C ATOM 574 NH1 ARG A 89 0.835 -2.135 -9.901 1.00 0.00 N ATOM 575 NH2 ARG A 89 1.168 -0.546 -11.564 1.00 0.00 N ATOM 0 H ARG A 89 0.446 -7.382 -10.994 1.00 0.00 H new ATOM 0 HA ARG A 89 1.676 -6.594 -13.535 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.438 -6.670 -10.571 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.554 -6.162 -11.824 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.628 -4.503 -12.502 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.024 -4.819 -10.887 1.00 0.00 H new ATOM 0 HD2 ARG A 89 2.847 -3.765 -9.846 1.00 0.00 H new ATOM 0 HD3 ARG A 89 3.927 -4.049 -11.196 1.00 0.00 H new ATOM 0 HE ARG A 89 3.092 -2.069 -12.273 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.109 -2.995 -9.426 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.056 -1.581 -9.544 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.697 -0.193 -12.361 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.387 -0.006 -11.191 1.00 0.00 H new ATOM 589 N GLY A 90 2.455 -9.169 -11.634 1.00 0.00 N ATOM 590 CA GLY A 90 3.237 -10.369 -11.527 1.00 0.00 C ATOM 591 C GLY A 90 4.369 -10.075 -10.592 1.00 0.00 C ATOM 592 O GLY A 90 5.504 -10.480 -10.828 1.00 0.00 O ATOM 0 H GLY A 90 1.859 -8.987 -10.827 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.630 -11.192 -11.150 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.613 -10.672 -12.504 1.00 0.00 H new ATOM 596 N LEU A 91 4.070 -9.361 -9.488 1.00 0.00 N ATOM 597 CA LEU A 91 5.107 -8.901 -8.609 1.00 0.00 C ATOM 598 C LEU A 91 5.010 -9.689 -7.339 1.00 0.00 C ATOM 599 O LEU A 91 4.044 -10.412 -7.100 1.00 0.00 O ATOM 600 CB LEU A 91 4.942 -7.422 -8.220 1.00 0.00 C ATOM 601 CG LEU A 91 5.336 -6.431 -9.322 1.00 0.00 C ATOM 602 CD1 LEU A 91 6.040 -5.180 -8.782 1.00 0.00 C ATOM 603 CD2 LEU A 91 6.196 -7.049 -10.431 1.00 0.00 C ATOM 0 H LEU A 91 3.124 -9.105 -9.206 1.00 0.00 H new ATOM 0 HA LEU A 91 6.058 -9.023 -9.128 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.903 -7.245 -7.943 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.546 -7.222 -7.335 1.00 0.00 H new ATOM 0 HG LEU A 91 4.380 -6.138 -9.757 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.293 -4.519 -9.611 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.377 -4.659 -8.091 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.951 -5.472 -8.260 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.435 -6.287 -11.173 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.119 -7.439 -10.001 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.647 -7.861 -10.908 1.00 0.00 H new ATOM 615 N GLN A 92 6.028 -9.527 -6.469 1.00 0.00 N ATOM 616 CA GLN A 92 6.005 -10.155 -5.182 1.00 0.00 C ATOM 617 C GLN A 92 6.015 -9.053 -4.157 1.00 0.00 C ATOM 618 O GLN A 92 6.957 -8.264 -4.070 1.00 0.00 O ATOM 619 CB GLN A 92 7.233 -11.045 -4.945 1.00 0.00 C ATOM 620 CG GLN A 92 7.589 -11.933 -6.145 1.00 0.00 C ATOM 621 CD GLN A 92 6.721 -13.186 -6.099 1.00 0.00 C ATOM 622 OE1 GLN A 92 7.212 -14.289 -5.856 1.00 0.00 O ATOM 623 NE2 GLN A 92 5.390 -13.038 -6.364 1.00 0.00 N ATOM 0 H GLN A 92 6.859 -8.966 -6.655 1.00 0.00 H new ATOM 0 HA GLN A 92 5.121 -10.790 -5.114 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.088 -10.413 -4.705 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.050 -11.678 -4.077 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.424 -11.393 -7.077 1.00 0.00 H new ATOM 0 HG3 GLN A 92 8.645 -12.203 -6.116 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.009 -12.113 -6.562 1.00 0.00 H new ATOM 0 HE22 GLN A 92 4.776 -13.853 -6.364 1.00 0.00 H new ATOM 632 N PRO A 93 4.971 -9.078 -3.341 1.00 0.00 N ATOM 633 CA PRO A 93 4.945 -7.916 -2.476 1.00 0.00 C ATOM 634 C PRO A 93 5.524 -8.394 -1.170 1.00 0.00 C ATOM 635 O PRO A 93 5.860 -7.591 -0.303 1.00 0.00 O ATOM 636 CB PRO A 93 3.477 -7.618 -2.251 1.00 0.00 C ATOM 637 CG PRO A 93 2.719 -8.876 -2.657 1.00 0.00 C ATOM 638 CD PRO A 93 3.649 -9.619 -3.605 1.00 0.00 C ATOM 0 HA PRO A 93 5.477 -7.050 -2.869 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.286 -7.369 -1.207 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.158 -6.762 -2.846 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.475 -9.486 -1.787 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.777 -8.627 -3.146 1.00 0.00 H new ATOM 0 HD2 PRO A 93 3.620 -10.693 -3.424 1.00 0.00 H new ATOM 0 HD3 PRO A 93 3.360 -9.463 -4.644 1.00 0.00 H new ATOM 646 N GLU A 94 5.731 -9.719 -1.018 1.00 0.00 N ATOM 647 CA GLU A 94 6.088 -10.274 0.260 1.00 0.00 C ATOM 648 C GLU A 94 7.526 -9.931 0.542 1.00 0.00 C ATOM 649 O GLU A 94 7.991 -10.059 1.672 1.00 0.00 O ATOM 650 CB GLU A 94 5.964 -11.806 0.313 1.00 0.00 C ATOM 651 CG GLU A 94 4.521 -12.318 0.168 1.00 0.00 C ATOM 652 CD GLU A 94 4.175 -12.412 -1.317 1.00 0.00 C ATOM 653 OE1 GLU A 94 5.031 -12.031 -2.165 1.00 0.00 O ATOM 654 OE2 GLU A 94 3.027 -12.821 -1.626 1.00 0.00 O ATOM 0 H GLU A 94 5.653 -10.402 -1.772 1.00 0.00 H new ATOM 0 HA GLU A 94 5.399 -9.854 0.993 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.574 -12.238 -0.480 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.372 -12.162 1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.418 -13.295 0.641 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.830 -11.644 0.674 1.00 0.00 H new ATOM 661 N CYS A 95 8.262 -9.469 -0.487 1.00 0.00 N ATOM 662 CA CYS A 95 9.662 -9.209 -0.320 1.00 0.00 C ATOM 663 C CYS A 95 9.844 -7.721 -0.231 1.00 0.00 C ATOM 664 O CYS A 95 10.967 -7.219 -0.279 1.00 0.00 O ATOM 665 CB CYS A 95 10.481 -9.699 -1.518 1.00 0.00 C ATOM 666 SG CYS A 95 10.440 -11.520 -1.583 1.00 0.00 S ATOM 0 H CYS A 95 7.897 -9.278 -1.420 1.00 0.00 H new ATOM 0 HA CYS A 95 10.004 -9.731 0.574 1.00 0.00 H new ATOM 0 HB2 CYS A 95 10.078 -9.283 -2.441 1.00 0.00 H new ATOM 0 HB3 CYS A 95 11.511 -9.351 -1.434 1.00 0.00 H new ATOM 0 HG CYS A 95 11.134 -11.934 -2.602 1.00 0.00 H new ATOM 672 N CYS A 96 8.735 -6.975 -0.075 1.00 0.00 N ATOM 673 CA CYS A 96 8.813 -5.546 -0.122 1.00 0.00 C ATOM 674 C CYS A 96 8.211 -5.016 1.146 1.00 0.00 C ATOM 675 O CYS A 96 7.592 -5.751 1.915 1.00 0.00 O ATOM 676 CB CYS A 96 7.996 -4.979 -1.288 1.00 0.00 C ATOM 677 SG CYS A 96 8.698 -5.550 -2.870 1.00 0.00 S ATOM 0 H CYS A 96 7.800 -7.352 0.081 1.00 0.00 H new ATOM 0 HA CYS A 96 9.856 -5.256 -0.246 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.957 -5.298 -1.205 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.999 -3.890 -1.250 1.00 0.00 H new ATOM 0 HG CYS A 96 8.024 -6.576 -3.299 1.00 0.00 H new ATOM 683 N ALA A 97 8.380 -3.696 1.375 1.00 0.00 N ATOM 684 CA ALA A 97 7.722 -3.039 2.464 1.00 0.00 C ATOM 685 C ALA A 97 6.836 -2.007 1.860 1.00 0.00 C ATOM 686 O ALA A 97 7.239 -1.274 0.962 1.00 0.00 O ATOM 687 CB ALA A 97 8.620 -2.315 3.481 1.00 0.00 C ATOM 0 H ALA A 97 8.970 -3.088 0.807 1.00 0.00 H new ATOM 0 HA ALA A 97 7.222 -3.826 3.028 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.001 -1.860 4.254 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.303 -3.031 3.938 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.194 -1.540 2.973 1.00 0.00 H new ATOM 693 N VAL A 98 5.605 -1.909 2.378 1.00 0.00 N ATOM 694 CA VAL A 98 4.684 -0.925 1.900 1.00 0.00 C ATOM 695 C VAL A 98 4.660 0.179 2.911 1.00 0.00 C ATOM 696 O VAL A 98 4.920 -0.028 4.098 1.00 0.00 O ATOM 697 CB VAL A 98 3.275 -1.504 1.741 1.00 0.00 C ATOM 698 CG1 VAL A 98 2.881 -2.429 2.888 1.00 0.00 C ATOM 699 CG2 VAL A 98 2.184 -0.453 1.527 1.00 0.00 C ATOM 0 H VAL A 98 5.245 -2.505 3.123 1.00 0.00 H new ATOM 0 HA VAL A 98 5.000 -0.569 0.919 1.00 0.00 H new ATOM 0 HB VAL A 98 3.341 -2.091 0.825 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.873 -2.808 2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.579 -3.264 2.938 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.909 -1.876 3.827 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.218 -0.947 1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.157 0.222 2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.399 0.116 0.622 1.00 0.00 H new ATOM 709 N PHE A 99 4.329 1.388 2.435 1.00 0.00 N ATOM 710 CA PHE A 99 4.374 2.552 3.263 1.00 0.00 C ATOM 711 C PHE A 99 3.200 3.389 2.897 1.00 0.00 C ATOM 712 O PHE A 99 2.635 3.254 1.811 1.00 0.00 O ATOM 713 CB PHE A 99 5.594 3.447 2.980 1.00 0.00 C ATOM 714 CG PHE A 99 6.805 2.764 3.515 1.00 0.00 C ATOM 715 CD1 PHE A 99 7.434 1.765 2.791 1.00 0.00 C ATOM 716 CD2 PHE A 99 7.436 3.194 4.696 1.00 0.00 C ATOM 717 CE1 PHE A 99 8.743 1.427 3.054 1.00 0.00 C ATOM 718 CE2 PHE A 99 8.735 2.844 4.964 1.00 0.00 C ATOM 719 CZ PHE A 99 9.416 2.048 4.080 1.00 0.00 C ATOM 0 H PHE A 99 4.029 1.562 1.476 1.00 0.00 H new ATOM 0 HA PHE A 99 4.403 2.214 4.299 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.698 3.621 1.909 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.468 4.422 3.451 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.893 1.246 2.013 1.00 0.00 H new ATOM 0 HD2 PHE A 99 6.892 3.807 5.400 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.239 0.677 2.456 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.218 3.193 5.865 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.481 1.908 4.189 1.00 0.00 H new ATOM 729 N ARG A 100 2.862 4.329 3.792 1.00 0.00 N ATOM 730 CA ARG A 100 2.065 5.443 3.404 1.00 0.00 C ATOM 731 C ARG A 100 3.015 6.575 3.216 1.00 0.00 C ATOM 732 O ARG A 100 4.032 6.672 3.904 1.00 0.00 O ATOM 733 CB ARG A 100 0.953 5.738 4.404 1.00 0.00 C ATOM 734 CG ARG A 100 0.836 7.200 4.834 1.00 0.00 C ATOM 735 CD ARG A 100 0.223 7.340 6.226 1.00 0.00 C ATOM 736 NE ARG A 100 -0.338 8.718 6.357 1.00 0.00 N ATOM 737 CZ ARG A 100 0.469 9.795 6.558 1.00 0.00 C ATOM 738 NH1 ARG A 100 1.793 9.646 6.758 1.00 0.00 N ATOM 739 NH2 ARG A 100 -0.074 11.030 6.626 1.00 0.00 N ATOM 0 H ARG A 100 3.137 4.318 4.774 1.00 0.00 H new ATOM 0 HA ARG A 100 1.525 5.246 2.478 1.00 0.00 H new ATOM 0 HB2 ARG A 100 0.003 5.427 3.969 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.113 5.126 5.292 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.824 7.661 4.825 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.225 7.742 4.113 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.560 6.596 6.372 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.978 7.163 6.992 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.347 8.855 6.295 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.207 8.714 6.760 1.00 0.00 H new ATOM 0 HH12 ARG A 100 2.382 10.466 6.907 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.082 11.150 6.527 1.00 0.00 H new ATOM 0 HH22 ARG A 100 0.524 11.842 6.776 1.00 0.00 H new ATOM 753 N LEU A 101 2.737 7.426 2.224 1.00 0.00 N ATOM 754 CA LEU A 101 3.695 8.407 1.816 1.00 0.00 C ATOM 755 C LEU A 101 3.539 9.592 2.712 1.00 0.00 C ATOM 756 O LEU A 101 2.634 9.660 3.542 1.00 0.00 O ATOM 757 CB LEU A 101 3.456 8.855 0.373 1.00 0.00 C ATOM 758 CG LEU A 101 3.907 7.820 -0.659 1.00 0.00 C ATOM 759 CD1 LEU A 101 3.024 7.795 -1.904 1.00 0.00 C ATOM 760 CD2 LEU A 101 5.403 7.899 -0.973 1.00 0.00 C ATOM 0 H LEU A 101 1.859 7.441 1.705 1.00 0.00 H new ATOM 0 HA LEU A 101 4.695 7.977 1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.395 9.060 0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.987 9.790 0.197 1.00 0.00 H new ATOM 0 HG LEU A 101 3.765 6.848 -0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.395 7.041 -2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.000 7.553 -1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.046 8.773 -2.385 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.660 7.140 -1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.640 8.886 -1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.976 7.728 -0.062 1.00 0.00 H new ATOM 772 N LEU A 102 4.434 10.578 2.536 1.00 0.00 N ATOM 773 CA LEU A 102 4.442 11.727 3.384 1.00 0.00 C ATOM 774 C LEU A 102 3.390 12.676 2.891 1.00 0.00 C ATOM 775 O LEU A 102 3.348 13.051 1.721 1.00 0.00 O ATOM 776 CB LEU A 102 5.803 12.425 3.432 1.00 0.00 C ATOM 777 CG LEU A 102 6.704 12.103 2.236 1.00 0.00 C ATOM 778 CD1 LEU A 102 6.074 12.479 0.895 1.00 0.00 C ATOM 779 CD2 LEU A 102 8.080 12.768 2.323 1.00 0.00 C ATOM 0 H LEU A 102 5.150 10.580 1.809 1.00 0.00 H new ATOM 0 HA LEU A 102 4.233 11.402 4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.647 13.503 3.478 1.00 0.00 H new ATOM 0 HB3 LEU A 102 6.316 12.138 4.350 1.00 0.00 H new ATOM 0 HG LEU A 102 6.827 11.021 2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 102 6.761 12.227 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.142 11.930 0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.870 13.550 0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.670 12.500 1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 102 7.959 13.851 2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 102 8.593 12.427 3.223 1.00 0.00 H new ATOM 791 N HIS A 103 2.499 13.099 3.805 1.00 0.00 N ATOM 792 CA HIS A 103 1.519 14.087 3.469 1.00 0.00 C ATOM 793 C HIS A 103 1.613 15.155 4.515 1.00 0.00 C ATOM 794 O HIS A 103 0.642 15.849 4.811 1.00 0.00 O ATOM 795 CB HIS A 103 0.089 13.520 3.442 1.00 0.00 C ATOM 796 CG HIS A 103 -0.184 12.670 2.234 1.00 0.00 C ATOM 797 ND1 HIS A 103 -1.295 11.871 2.135 1.00 0.00 N ATOM 798 CD2 HIS A 103 0.399 12.673 1.012 1.00 0.00 C ATOM 799 CE1 HIS A 103 -1.377 11.414 0.896 1.00 0.00 C ATOM 800 NE2 HIS A 103 -0.363 11.884 0.195 1.00 0.00 N ATOM 0 H HIS A 103 2.456 12.762 4.767 1.00 0.00 H new ATOM 0 HA HIS A 103 1.718 14.466 2.466 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -0.078 12.927 4.341 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.623 14.345 3.467 1.00 0.00 H new ATOM 0 HD2 HIS A 103 1.299 13.201 0.734 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.150 10.761 0.519 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -0.179 11.692 -0.790 1.00 0.00 H new ATOM 809 N GLU A 104 2.821 15.314 5.094 1.00 0.00 N ATOM 810 CA GLU A 104 3.003 16.249 6.166 1.00 0.00 C ATOM 811 C GLU A 104 4.476 16.343 6.448 1.00 0.00 C ATOM 812 O GLU A 104 4.993 17.417 6.745 1.00 0.00 O ATOM 813 CB GLU A 104 2.225 15.933 7.453 1.00 0.00 C ATOM 814 CG GLU A 104 2.733 14.701 8.213 1.00 0.00 C ATOM 815 CD GLU A 104 2.564 13.476 7.323 1.00 0.00 C ATOM 816 OE1 GLU A 104 1.409 12.997 7.176 1.00 0.00 O ATOM 817 OE2 GLU A 104 3.581 13.023 6.725 1.00 0.00 O ATOM 0 H GLU A 104 3.661 14.803 4.824 1.00 0.00 H new ATOM 0 HA GLU A 104 2.588 17.200 5.834 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.273 16.798 8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.175 15.782 7.201 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.781 14.830 8.484 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.177 14.573 9.142 1.00 0.00 H new ATOM 824 N HIS A 105 5.184 15.197 6.379 1.00 0.00 N ATOM 825 CA HIS A 105 6.577 15.176 6.731 1.00 0.00 C ATOM 826 C HIS A 105 7.367 15.239 5.456 1.00 0.00 C ATOM 827 O HIS A 105 6.812 15.289 4.361 1.00 0.00 O ATOM 828 CB HIS A 105 6.973 13.900 7.489 1.00 0.00 C ATOM 829 CG HIS A 105 8.241 14.051 8.276 1.00 0.00 C ATOM 830 ND1 HIS A 105 8.324 14.855 9.380 1.00 0.00 N ATOM 831 CD2 HIS A 105 9.488 13.604 8.021 1.00 0.00 C ATOM 832 CE1 HIS A 105 9.586 14.886 9.783 1.00 0.00 C ATOM 833 NE2 HIS A 105 10.314 14.139 8.970 1.00 0.00 N ATOM 0 H HIS A 105 4.801 14.298 6.085 1.00 0.00 H new ATOM 0 HA HIS A 105 6.780 16.022 7.388 1.00 0.00 H new ATOM 0 HB2 HIS A 105 6.165 13.621 8.165 1.00 0.00 H new ATOM 0 HB3 HIS A 105 7.090 13.083 6.777 1.00 0.00 H new ATOM 0 HD2 HIS A 105 9.780 12.945 7.216 1.00 0.00 H new ATOM 0 HE1 HIS A 105 9.959 15.432 10.637 1.00 0.00 H new ATOM 0 HE2 HIS A 105 11.320 13.988 9.039 1.00 0.00 H new ATOM 842 N LYS A 106 8.709 15.248 5.579 1.00 0.00 N ATOM 843 CA LYS A 106 9.541 15.314 4.420 1.00 0.00 C ATOM 844 C LYS A 106 10.667 14.347 4.631 1.00 0.00 C ATOM 845 O LYS A 106 11.345 14.378 5.657 1.00 0.00 O ATOM 846 CB LYS A 106 10.129 16.717 4.265 1.00 0.00 C ATOM 847 CG LYS A 106 11.096 16.862 3.088 1.00 0.00 C ATOM 848 CD LYS A 106 10.395 16.956 1.729 1.00 0.00 C ATOM 849 CE LYS A 106 11.362 16.929 0.542 1.00 0.00 C ATOM 850 NZ LYS A 106 10.618 17.049 -0.709 1.00 0.00 N ATOM 0 H LYS A 106 9.209 15.210 6.467 1.00 0.00 H new ATOM 0 HA LYS A 106 8.961 15.077 3.528 1.00 0.00 H new ATOM 0 HB2 LYS A 106 9.313 17.430 4.141 1.00 0.00 H new ATOM 0 HB3 LYS A 106 10.650 16.985 5.184 1.00 0.00 H new ATOM 0 HG2 LYS A 106 11.705 17.754 3.236 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.776 16.010 3.079 1.00 0.00 H new ATOM 0 HD2 LYS A 106 9.691 16.129 1.634 1.00 0.00 H new ATOM 0 HD3 LYS A 106 9.812 17.876 1.692 1.00 0.00 H new ATOM 0 HE2 LYS A 106 12.080 17.745 0.628 1.00 0.00 H new ATOM 0 HE3 LYS A 106 11.933 16.000 0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 11.281 17.030 -1.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.950 16.256 -0.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.093 17.946 -0.716 1.00 0.00 H new ATOM 864 N GLY A 107 10.867 13.440 3.653 1.00 0.00 N ATOM 865 CA GLY A 107 12.014 12.573 3.669 1.00 0.00 C ATOM 866 C GLY A 107 11.706 11.404 4.557 1.00 0.00 C ATOM 867 O GLY A 107 12.606 10.827 5.162 1.00 0.00 O ATOM 0 H GLY A 107 10.242 13.306 2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 107 12.247 12.233 2.660 1.00 0.00 H new ATOM 0 HA3 GLY A 107 12.890 13.108 4.035 1.00 0.00 H new ATOM 871 N LYS A 108 10.425 10.987 4.603 1.00 0.00 N ATOM 872 CA LYS A 108 10.049 9.897 5.445 1.00 0.00 C ATOM 873 C LYS A 108 8.775 9.355 4.905 1.00 0.00 C ATOM 874 O LYS A 108 7.882 10.105 4.517 1.00 0.00 O ATOM 875 CB LYS A 108 9.791 10.304 6.892 1.00 0.00 C ATOM 876 CG LYS A 108 11.075 10.587 7.668 1.00 0.00 C ATOM 877 CD LYS A 108 11.009 10.144 9.129 1.00 0.00 C ATOM 878 CE LYS A 108 12.236 10.559 9.947 1.00 0.00 C ATOM 879 NZ LYS A 108 12.091 10.108 11.327 1.00 0.00 N ATOM 0 H LYS A 108 9.663 11.399 4.065 1.00 0.00 H new ATOM 0 HA LYS A 108 10.870 9.181 5.450 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.160 11.193 6.907 1.00 0.00 H new ATOM 0 HB3 LYS A 108 9.237 9.511 7.394 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.906 10.079 7.179 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.287 11.655 7.629 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.115 10.566 9.589 1.00 0.00 H new ATOM 0 HD3 LYS A 108 10.906 9.060 9.168 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.137 10.131 9.509 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.352 11.642 9.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 12.927 10.393 11.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 11.240 10.537 11.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 12.002 9.072 11.346 1.00 0.00 H new ATOM 893 N LYS A 109 8.683 8.019 4.866 1.00 0.00 N ATOM 894 CA LYS A 109 7.456 7.376 4.532 1.00 0.00 C ATOM 895 C LYS A 109 7.037 6.639 5.757 1.00 0.00 C ATOM 896 O LYS A 109 7.871 6.134 6.507 1.00 0.00 O ATOM 897 CB LYS A 109 7.672 6.373 3.393 1.00 0.00 C ATOM 898 CG LYS A 109 7.580 6.966 1.992 1.00 0.00 C ATOM 899 CD LYS A 109 7.139 5.937 0.955 1.00 0.00 C ATOM 900 CE LYS A 109 8.097 4.748 0.838 1.00 0.00 C ATOM 901 NZ LYS A 109 9.288 5.143 0.091 1.00 0.00 N ATOM 0 H LYS A 109 9.456 7.384 5.065 1.00 0.00 H new ATOM 0 HA LYS A 109 6.709 8.100 4.207 1.00 0.00 H new ATOM 0 HB2 LYS A 109 8.653 5.913 3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 109 6.933 5.577 3.484 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.876 7.798 1.998 1.00 0.00 H new ATOM 0 HG3 LYS A 109 8.551 7.372 1.707 1.00 0.00 H new ATOM 0 HD2 LYS A 109 6.146 5.571 1.216 1.00 0.00 H new ATOM 0 HD3 LYS A 109 7.054 6.424 -0.017 1.00 0.00 H new ATOM 0 HE2 LYS A 109 8.379 4.398 1.831 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.601 3.918 0.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 9.854 4.299 -0.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 9.004 5.613 -0.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 9.856 5.799 0.665 1.00 0.00 H new ATOM 915 N ALA A 110 5.720 6.606 6.009 1.00 0.00 N ATOM 916 CA ALA A 110 5.221 5.972 7.197 1.00 0.00 C ATOM 917 C ALA A 110 5.051 4.530 6.877 1.00 0.00 C ATOM 918 O ALA A 110 4.303 4.164 5.977 1.00 0.00 O ATOM 919 CB ALA A 110 3.907 6.485 7.779 1.00 0.00 C ATOM 0 H ALA A 110 5.005 7.010 5.404 1.00 0.00 H new ATOM 0 HA ALA A 110 5.956 6.197 7.970 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.656 5.912 8.672 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.011 7.538 8.040 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.113 6.372 7.041 1.00 0.00 H new ATOM 925 N ARG A 111 5.775 3.666 7.606 1.00 0.00 N ATOM 926 CA ARG A 111 5.897 2.312 7.191 1.00 0.00 C ATOM 927 C ARG A 111 4.795 1.556 7.830 1.00 0.00 C ATOM 928 O ARG A 111 4.371 1.860 8.944 1.00 0.00 O ATOM 929 CB ARG A 111 7.228 1.786 7.685 1.00 0.00 C ATOM 930 CG ARG A 111 7.559 0.377 7.209 1.00 0.00 C ATOM 931 CD ARG A 111 7.447 -0.649 8.331 1.00 0.00 C ATOM 932 NE ARG A 111 8.492 -1.695 8.104 1.00 0.00 N ATOM 933 CZ ARG A 111 8.291 -2.697 7.202 1.00 0.00 C ATOM 934 NH1 ARG A 111 7.067 -2.923 6.680 1.00 0.00 N ATOM 935 NH2 ARG A 111 9.286 -3.575 6.932 1.00 0.00 N ATOM 0 H ARG A 111 6.267 3.902 8.468 1.00 0.00 H new ATOM 0 HA ARG A 111 5.846 2.214 6.107 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.017 2.463 7.358 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.229 1.799 8.775 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.885 0.101 6.398 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.570 0.360 6.803 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.590 -0.171 9.300 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.454 -1.098 8.340 1.00 0.00 H new ATOM 0 HE ARG A 111 9.365 -1.658 8.630 1.00 0.00 H new ATOM 0 HH11 ARG A 111 6.278 -2.340 6.960 1.00 0.00 H new ATOM 0 HH12 ARG A 111 6.931 -3.676 6.006 1.00 0.00 H new ATOM 0 HH21 ARG A 111 10.186 -3.487 7.404 1.00 0.00 H new ATOM 0 HH22 ARG A 111 9.135 -4.325 6.257 1.00 0.00 H new ATOM 949 N LEU A 112 4.320 0.532 7.112 1.00 0.00 N ATOM 950 CA LEU A 112 3.104 -0.117 7.482 1.00 0.00 C ATOM 951 C LEU A 112 3.377 -1.577 7.548 1.00 0.00 C ATOM 952 O LEU A 112 4.520 -2.023 7.432 1.00 0.00 O ATOM 953 CB LEU A 112 2.005 0.100 6.440 1.00 0.00 C ATOM 954 CG LEU A 112 1.643 1.569 6.235 1.00 0.00 C ATOM 955 CD1 LEU A 112 0.788 1.808 4.989 1.00 0.00 C ATOM 956 CD2 LEU A 112 1.008 2.223 7.467 1.00 0.00 C ATOM 0 H LEU A 112 4.772 0.153 6.280 1.00 0.00 H new ATOM 0 HA LEU A 112 2.767 0.293 8.434 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.328 -0.323 5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.113 -0.447 6.745 1.00 0.00 H new ATOM 0 HG LEU A 112 2.601 2.063 6.074 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.565 2.871 4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.332 1.476 4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.143 1.248 5.074 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.778 3.266 7.247 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.090 1.695 7.727 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.704 2.174 8.304 1.00 0.00 H new ATOM 968 N ASP A 113 2.291 -2.353 7.691 1.00 0.00 N ATOM 969 CA ASP A 113 2.402 -3.773 7.836 1.00 0.00 C ATOM 970 C ASP A 113 1.684 -4.399 6.685 1.00 0.00 C ATOM 971 O ASP A 113 0.782 -3.835 6.105 1.00 0.00 O ATOM 972 CB ASP A 113 1.808 -4.293 9.156 1.00 0.00 C ATOM 973 CG ASP A 113 2.244 -5.739 9.346 1.00 0.00 C ATOM 974 OD1 ASP A 113 3.450 -5.960 9.628 1.00 0.00 O ATOM 975 OD2 ASP A 113 1.385 -6.636 9.133 1.00 0.00 O ATOM 0 H ASP A 113 1.334 -2.000 7.707 1.00 0.00 H new ATOM 0 HA ASP A 113 3.460 -4.036 7.851 1.00 0.00 H new ATOM 0 HB2 ASP A 113 2.149 -3.682 9.992 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.720 -4.225 9.135 1.00 0.00 H new ATOM 980 N TRP A 114 2.057 -5.645 6.341 1.00 0.00 N ATOM 981 CA TRP A 114 1.435 -6.327 5.255 1.00 0.00 C ATOM 982 C TRP A 114 0.082 -6.806 5.690 1.00 0.00 C ATOM 983 O TRP A 114 -0.714 -7.252 4.875 1.00 0.00 O ATOM 984 CB TRP A 114 2.306 -7.520 4.831 1.00 0.00 C ATOM 985 CG TRP A 114 3.273 -7.193 3.718 1.00 0.00 C ATOM 986 CD1 TRP A 114 4.607 -7.445 3.575 1.00 0.00 C ATOM 987 CD2 TRP A 114 2.891 -6.398 2.598 1.00 0.00 C ATOM 988 NE1 TRP A 114 5.077 -6.831 2.430 1.00 0.00 N ATOM 989 CE2 TRP A 114 4.026 -6.179 1.816 1.00 0.00 C ATOM 990 CE3 TRP A 114 1.666 -5.916 2.288 1.00 0.00 C ATOM 991 CZ2 TRP A 114 3.873 -5.441 0.660 1.00 0.00 C ATOM 992 CZ3 TRP A 114 1.537 -5.154 1.159 1.00 0.00 C ATOM 993 CH2 TRP A 114 2.606 -4.975 0.321 1.00 0.00 C ATOM 0 H TRP A 114 2.787 -6.176 6.815 1.00 0.00 H new ATOM 0 HA TRP A 114 1.325 -5.652 4.406 1.00 0.00 H new ATOM 0 HB2 TRP A 114 2.866 -7.876 5.695 1.00 0.00 H new ATOM 0 HB3 TRP A 114 1.659 -8.337 4.511 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.205 -8.035 4.254 1.00 0.00 H new ATOM 0 HE1 TRP A 114 6.040 -6.855 2.094 1.00 0.00 H new ATOM 0 HE3 TRP A 114 0.812 -6.127 2.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.723 -5.228 0.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.589 -4.692 0.927 1.00 0.00 H new ATOM 0 HH2 TRP A 114 2.463 -4.463 -0.619 1.00 0.00 H new ATOM 1004 N ASN A 115 -0.276 -6.595 6.966 1.00 0.00 N ATOM 1005 CA ASN A 115 -1.615 -6.878 7.390 1.00 0.00 C ATOM 1006 C ASN A 115 -2.244 -5.575 7.753 1.00 0.00 C ATOM 1007 O ASN A 115 -3.253 -5.541 8.457 1.00 0.00 O ATOM 1008 CB ASN A 115 -1.623 -7.723 8.671 1.00 0.00 C ATOM 1009 CG ASN A 115 -2.640 -8.840 8.506 1.00 0.00 C ATOM 1010 OD1 ASN A 115 -2.282 -10.003 8.316 1.00 0.00 O ATOM 1011 ND2 ASN A 115 -3.939 -8.480 8.591 1.00 0.00 N ATOM 0 H ASN A 115 0.343 -6.237 7.693 1.00 0.00 H new ATOM 0 HA ASN A 115 -2.133 -7.409 6.592 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -0.632 -8.137 8.857 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -1.877 -7.104 9.531 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.671 -9.184 8.497 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.188 -7.504 8.749 1.00 0.00 H new ATOM 1018 N THR A 116 -1.660 -4.448 7.287 1.00 0.00 N ATOM 1019 CA THR A 116 -2.058 -3.181 7.814 1.00 0.00 C ATOM 1020 C THR A 116 -3.429 -2.854 7.282 1.00 0.00 C ATOM 1021 O THR A 116 -3.827 -3.281 6.202 1.00 0.00 O ATOM 1022 CB THR A 116 -0.999 -2.056 7.802 1.00 0.00 C ATOM 1023 OG1 THR A 116 -0.294 -2.039 9.036 1.00 0.00 O ATOM 1024 CG2 THR A 116 -1.544 -0.623 7.726 1.00 0.00 C ATOM 0 H THR A 116 -0.936 -4.416 6.569 1.00 0.00 H new ATOM 0 HA THR A 116 -2.138 -3.268 8.898 1.00 0.00 H new ATOM 0 HB THR A 116 -0.413 -2.290 6.913 1.00 0.00 H new ATOM 0 HG1 THR A 116 0.134 -1.165 9.156 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.713 0.083 7.724 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.125 -0.503 6.811 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.182 -0.430 8.589 1.00 0.00 H new ATOM 1032 N ASP A 117 -4.259 -2.224 8.131 1.00 0.00 N ATOM 1033 CA ASP A 117 -5.576 -1.829 7.737 1.00 0.00 C ATOM 1034 C ASP A 117 -5.427 -0.660 6.821 1.00 0.00 C ATOM 1035 O ASP A 117 -5.331 0.471 7.278 1.00 0.00 O ATOM 1036 CB ASP A 117 -6.396 -1.384 8.953 1.00 0.00 C ATOM 1037 CG ASP A 117 -6.275 -2.457 10.029 1.00 0.00 C ATOM 1038 OD1 ASP A 117 -5.174 -2.560 10.637 1.00 0.00 O ATOM 1039 OD2 ASP A 117 -7.281 -3.178 10.257 1.00 0.00 O ATOM 0 H ASP A 117 -4.018 -1.987 9.093 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.086 -2.666 7.259 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.031 -0.427 9.328 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -7.440 -1.241 8.675 1.00 0.00 H new ATOM 1044 N ALA A 118 -5.517 -0.938 5.504 1.00 0.00 N ATOM 1045 CA ALA A 118 -5.377 0.077 4.487 1.00 0.00 C ATOM 1046 C ALA A 118 -6.554 1.003 4.583 1.00 0.00 C ATOM 1047 O ALA A 118 -6.545 2.097 4.026 1.00 0.00 O ATOM 1048 CB ALA A 118 -5.507 -0.729 3.180 1.00 0.00 C ATOM 0 H ALA A 118 -5.688 -1.874 5.136 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.457 0.657 4.563 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.416 -0.056 2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -4.718 -1.480 3.136 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.479 -1.221 3.151 1.00 0.00 H new ATOM 1054 N ALA A 119 -7.544 0.623 5.412 1.00 0.00 N ATOM 1055 CA ALA A 119 -8.708 1.434 5.622 1.00 0.00 C ATOM 1056 C ALA A 119 -8.370 2.483 6.642 1.00 0.00 C ATOM 1057 O ALA A 119 -9.164 3.382 6.907 1.00 0.00 O ATOM 1058 CB ALA A 119 -9.534 0.333 6.314 1.00 0.00 C ATOM 0 H ALA A 119 -7.539 -0.250 5.940 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.146 1.943 4.763 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.513 0.728 6.584 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -9.658 -0.510 5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.016 0.001 7.214 1.00 0.00 H new ATOM 1064 N SER A 120 -7.150 2.422 7.211 1.00 0.00 N ATOM 1065 CA SER A 120 -6.726 3.433 8.138 1.00 0.00 C ATOM 1066 C SER A 120 -5.827 4.373 7.391 1.00 0.00 C ATOM 1067 O SER A 120 -5.548 5.478 7.849 1.00 0.00 O ATOM 1068 CB SER A 120 -5.942 2.870 9.331 1.00 0.00 C ATOM 1069 OG SER A 120 -6.743 1.939 10.047 1.00 0.00 O ATOM 0 H SER A 120 -6.466 1.686 7.034 1.00 0.00 H new ATOM 0 HA SER A 120 -7.616 3.918 8.538 1.00 0.00 H new ATOM 0 HB2 SER A 120 -5.031 2.384 8.981 1.00 0.00 H new ATOM 0 HB3 SER A 120 -5.637 3.682 9.991 1.00 0.00 H new ATOM 0 HG SER A 120 -6.233 1.584 10.805 1.00 0.00 H new ATOM 1075 N LEU A 121 -5.348 3.930 6.209 1.00 0.00 N ATOM 1076 CA LEU A 121 -4.489 4.746 5.395 1.00 0.00 C ATOM 1077 C LEU A 121 -5.323 5.231 4.278 1.00 0.00 C ATOM 1078 O LEU A 121 -4.818 5.667 3.245 1.00 0.00 O ATOM 1079 CB LEU A 121 -3.338 3.934 4.787 1.00 0.00 C ATOM 1080 CG LEU A 121 -2.508 3.199 5.837 1.00 0.00 C ATOM 1081 CD1 LEU A 121 -2.367 4.003 7.131 1.00 0.00 C ATOM 1082 CD2 LEU A 121 -3.109 1.849 6.220 1.00 0.00 C ATOM 0 H LEU A 121 -5.554 3.011 5.818 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.061 5.543 6.004 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.745 3.210 4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.689 4.602 4.221 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.535 3.058 5.366 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.769 3.439 7.847 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -1.877 4.953 6.918 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.355 4.191 7.552 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.479 1.370 6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.109 1.998 6.628 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.169 1.214 5.336 1.00 0.00 H new ATOM 1094 N ILE A 122 -6.641 5.121 4.483 1.00 0.00 N ATOM 1095 CA ILE A 122 -7.582 5.387 3.438 1.00 0.00 C ATOM 1096 C ILE A 122 -7.535 6.847 3.117 1.00 0.00 C ATOM 1097 O ILE A 122 -7.433 7.699 4.000 1.00 0.00 O ATOM 1098 CB ILE A 122 -9.015 4.945 3.759 1.00 0.00 C ATOM 1099 CG1 ILE A 122 -9.749 4.349 2.560 1.00 0.00 C ATOM 1100 CG2 ILE A 122 -9.911 6.026 4.395 1.00 0.00 C ATOM 1101 CD1 ILE A 122 -9.474 2.863 2.345 1.00 0.00 C ATOM 0 H ILE A 122 -7.061 4.848 5.372 1.00 0.00 H new ATOM 0 HA ILE A 122 -7.290 4.789 2.575 1.00 0.00 H new ATOM 0 HB ILE A 122 -8.850 4.172 4.510 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -10.821 4.495 2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -9.462 4.896 1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -10.902 5.613 4.583 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -9.471 6.356 5.336 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -9.994 6.875 3.716 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -10.030 2.512 1.476 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -8.408 2.711 2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -9.788 2.304 3.226 1.00 0.00 H new ATOM 1113 N GLY A 123 -7.583 7.143 1.809 1.00 0.00 N ATOM 1114 CA GLY A 123 -7.623 8.504 1.348 1.00 0.00 C ATOM 1115 C GLY A 123 -6.227 9.048 1.388 1.00 0.00 C ATOM 1116 O GLY A 123 -6.019 10.224 1.675 1.00 0.00 O ATOM 0 H GLY A 123 -7.594 6.444 1.066 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.022 8.551 0.335 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.283 9.101 1.978 1.00 0.00 H new ATOM 1120 N GLU A 124 -5.226 8.194 1.086 1.00 0.00 N ATOM 1121 CA GLU A 124 -3.864 8.635 1.120 1.00 0.00 C ATOM 1122 C GLU A 124 -3.211 8.124 -0.124 1.00 0.00 C ATOM 1123 O GLU A 124 -3.868 7.612 -1.031 1.00 0.00 O ATOM 1124 CB GLU A 124 -3.082 8.059 2.309 1.00 0.00 C ATOM 1125 CG GLU A 124 -3.734 8.332 3.669 1.00 0.00 C ATOM 1126 CD GLU A 124 -3.129 9.605 4.249 1.00 0.00 C ATOM 1127 OE1 GLU A 124 -3.131 10.652 3.543 1.00 0.00 O ATOM 1128 OE2 GLU A 124 -2.560 9.531 5.371 1.00 0.00 O ATOM 0 H GLU A 124 -5.357 7.217 0.823 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.859 9.722 1.206 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -2.978 6.982 2.176 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.076 8.479 2.308 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -4.813 8.442 3.557 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.568 7.492 4.344 1.00 0.00 H new ATOM 1135 N GLU A 125 -1.870 8.215 -0.166 1.00 0.00 N ATOM 1136 CA GLU A 125 -1.125 7.612 -1.231 1.00 0.00 C ATOM 1137 C GLU A 125 -0.184 6.649 -0.608 1.00 0.00 C ATOM 1138 O GLU A 125 0.512 6.979 0.355 1.00 0.00 O ATOM 1139 CB GLU A 125 -0.334 8.603 -2.091 1.00 0.00 C ATOM 1140 CG GLU A 125 -1.210 9.317 -3.121 1.00 0.00 C ATOM 1141 CD GLU A 125 -0.691 10.738 -3.313 1.00 0.00 C ATOM 1142 OE1 GLU A 125 -0.305 11.380 -2.298 1.00 0.00 O ATOM 1143 OE2 GLU A 125 -0.779 11.231 -4.473 1.00 0.00 O ATOM 0 H GLU A 125 -1.304 8.701 0.530 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.836 7.140 -1.909 1.00 0.00 H new ATOM 0 HB2 GLU A 125 0.138 9.343 -1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 125 0.467 8.073 -2.606 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -1.192 8.778 -4.068 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -2.247 9.337 -2.785 1.00 0.00 H new ATOM 1150 N LEU A 126 -0.170 5.418 -1.143 1.00 0.00 N ATOM 1151 CA LEU A 126 0.675 4.394 -0.607 1.00 0.00 C ATOM 1152 C LEU A 126 1.855 4.263 -1.515 1.00 0.00 C ATOM 1153 O LEU A 126 1.830 4.695 -2.665 1.00 0.00 O ATOM 1154 CB LEU A 126 0.024 3.004 -0.501 1.00 0.00 C ATOM 1155 CG LEU A 126 -1.060 2.891 0.579 1.00 0.00 C ATOM 1156 CD1 LEU A 126 -1.045 1.535 1.295 1.00 0.00 C ATOM 1157 CD2 LEU A 126 -0.947 3.946 1.686 1.00 0.00 C ATOM 0 H LEU A 126 -0.738 5.130 -1.940 1.00 0.00 H new ATOM 0 HA LEU A 126 0.924 4.701 0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.414 2.747 -1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.801 2.267 -0.297 1.00 0.00 H new ATOM 0 HG LEU A 126 -1.981 3.034 0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.833 1.512 2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -1.213 0.739 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -0.078 1.389 1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.748 3.800 2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.017 3.848 2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -1.030 4.941 1.250 1.00 0.00 H new ATOM 1169 N GLN A 127 2.918 3.606 -1.016 1.00 0.00 N ATOM 1170 CA GLN A 127 4.061 3.330 -1.836 1.00 0.00 C ATOM 1171 C GLN A 127 4.645 2.050 -1.340 1.00 0.00 C ATOM 1172 O GLN A 127 4.354 1.616 -0.229 1.00 0.00 O ATOM 1173 CB GLN A 127 5.146 4.418 -1.766 1.00 0.00 C ATOM 1174 CG GLN A 127 6.047 4.477 -3.011 1.00 0.00 C ATOM 1175 CD GLN A 127 7.480 4.742 -2.562 1.00 0.00 C ATOM 1176 OE1 GLN A 127 7.847 5.871 -2.235 1.00 0.00 O ATOM 1177 NE2 GLN A 127 8.336 3.689 -2.592 1.00 0.00 N ATOM 0 H GLN A 127 2.988 3.268 -0.056 1.00 0.00 H new ATOM 0 HA GLN A 127 3.734 3.284 -2.875 1.00 0.00 H new ATOM 0 HB2 GLN A 127 4.667 5.387 -1.629 1.00 0.00 H new ATOM 0 HB3 GLN A 127 5.767 4.243 -0.888 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.991 3.539 -3.563 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.710 5.265 -3.685 1.00 0.00 H new ATOM 0 HE21 GLN A 127 8.000 2.766 -2.868 1.00 0.00 H new ATOM 0 HE22 GLN A 127 9.315 3.820 -2.339 1.00 0.00 H new ATOM 1186 N VAL A 128 5.474 1.400 -2.176 1.00 0.00 N ATOM 1187 CA VAL A 128 6.109 0.182 -1.770 1.00 0.00 C ATOM 1188 C VAL A 128 7.574 0.352 -2.018 1.00 0.00 C ATOM 1189 O VAL A 128 7.984 1.067 -2.929 1.00 0.00 O ATOM 1190 CB VAL A 128 5.569 -1.046 -2.520 1.00 0.00 C ATOM 1191 CG1 VAL A 128 6.445 -2.294 -2.377 1.00 0.00 C ATOM 1192 CG2 VAL A 128 4.176 -1.478 -2.041 1.00 0.00 C ATOM 0 H VAL A 128 5.703 1.711 -3.120 1.00 0.00 H new ATOM 0 HA VAL A 128 5.901 -0.004 -0.716 1.00 0.00 H new ATOM 0 HB VAL A 128 5.551 -0.702 -3.554 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.998 -3.118 -2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 128 7.440 -2.087 -2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.521 -2.567 -1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.850 -2.350 -2.609 1.00 0.00 H new ATOM 0 HG22 VAL A 128 4.218 -1.730 -0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.470 -0.662 -2.192 1.00 0.00 H new ATOM 1202 N ASP A 129 8.402 -0.283 -1.166 1.00 0.00 N ATOM 1203 CA ASP A 129 9.821 -0.104 -1.249 1.00 0.00 C ATOM 1204 C ASP A 129 10.449 -1.380 -0.783 1.00 0.00 C ATOM 1205 O ASP A 129 9.763 -2.371 -0.539 1.00 0.00 O ATOM 1206 CB ASP A 129 10.299 1.037 -0.329 1.00 0.00 C ATOM 1207 CG ASP A 129 11.075 2.038 -1.169 1.00 0.00 C ATOM 1208 OD1 ASP A 129 12.066 1.614 -1.819 1.00 0.00 O ATOM 1209 OD2 ASP A 129 10.680 3.236 -1.173 1.00 0.00 O ATOM 0 H ASP A 129 8.093 -0.914 -0.427 1.00 0.00 H new ATOM 0 HA ASP A 129 10.097 0.148 -2.273 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.447 1.522 0.148 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.929 0.642 0.469 1.00 0.00 H new ATOM 1214 N PHE A 130 11.789 -1.375 -0.622 1.00 0.00 N ATOM 1215 CA PHE A 130 12.464 -2.525 -0.092 1.00 0.00 C ATOM 1216 C PHE A 130 12.298 -2.490 1.400 1.00 0.00 C ATOM 1217 O PHE A 130 12.017 -1.444 1.984 1.00 0.00 O ATOM 1218 CB PHE A 130 13.964 -2.576 -0.442 1.00 0.00 C ATOM 1219 CG PHE A 130 14.536 -1.209 -0.251 1.00 0.00 C ATOM 1220 CD1 PHE A 130 15.073 -0.825 0.985 1.00 0.00 C ATOM 1221 CD2 PHE A 130 14.598 -0.302 -1.298 1.00 0.00 C ATOM 1222 CE1 PHE A 130 15.603 0.438 1.167 1.00 0.00 C ATOM 1223 CE2 PHE A 130 15.126 0.965 -1.110 1.00 0.00 C ATOM 1224 CZ PHE A 130 15.626 1.337 0.119 1.00 0.00 C ATOM 0 H PHE A 130 12.396 -0.589 -0.854 1.00 0.00 H new ATOM 0 HA PHE A 130 12.023 -3.416 -0.539 1.00 0.00 H new ATOM 0 HB2 PHE A 130 14.478 -3.295 0.195 1.00 0.00 H new ATOM 0 HB3 PHE A 130 14.103 -2.905 -1.472 1.00 0.00 H new ATOM 0 HD1 PHE A 130 15.073 -1.526 1.807 1.00 0.00 H new ATOM 0 HD2 PHE A 130 14.230 -0.587 -2.273 1.00 0.00 H new ATOM 0 HE1 PHE A 130 16.000 0.723 2.130 1.00 0.00 H new ATOM 0 HE2 PHE A 130 15.146 1.665 -1.932 1.00 0.00 H new ATOM 0 HZ PHE A 130 16.034 2.327 0.262 1.00 0.00 H new ATOM 1234 N LEU A 131 12.457 -3.657 2.054 1.00 0.00 N ATOM 1235 CA LEU A 131 12.175 -3.739 3.454 1.00 0.00 C ATOM 1236 C LEU A 131 13.476 -3.866 4.182 1.00 0.00 C ATOM 1237 O LEU A 131 14.486 -3.277 3.801 1.00 0.00 O ATOM 1238 CB LEU A 131 11.230 -4.910 3.781 1.00 0.00 C ATOM 1239 CG LEU A 131 11.515 -6.195 2.991 1.00 0.00 C ATOM 1240 CD1 LEU A 131 12.916 -6.784 3.220 1.00 0.00 C ATOM 1241 CD2 LEU A 131 10.497 -7.308 3.264 1.00 0.00 C ATOM 0 H LEU A 131 12.774 -4.526 1.624 1.00 0.00 H new ATOM 0 HA LEU A 131 11.656 -2.836 3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 131 11.299 -5.130 4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 131 10.204 -4.598 3.586 1.00 0.00 H new ATOM 0 HG LEU A 131 11.439 -5.860 1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 131 13.032 -7.689 2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 131 13.670 -6.055 2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 131 13.041 -7.026 4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 131 10.754 -8.189 2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 131 10.512 -7.563 4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 131 9.500 -6.965 2.987 1.00 0.00 H new ATOM 1253 N ASP A 132 13.458 -4.618 5.295 1.00 0.00 N ATOM 1254 CA ASP A 132 14.566 -4.629 6.204 1.00 0.00 C ATOM 1255 C ASP A 132 15.330 -5.946 5.988 1.00 0.00 C ATOM 1256 O ASP A 132 14.703 -7.027 6.158 1.00 0.00 O ATOM 1257 CB ASP A 132 14.106 -4.569 7.670 1.00 0.00 C ATOM 1258 CG ASP A 132 13.109 -3.423 7.811 1.00 0.00 C ATOM 1259 OD1 ASP A 132 13.560 -2.280 8.084 1.00 0.00 O ATOM 1260 OD2 ASP A 132 11.879 -3.673 7.647 1.00 0.00 O ATOM 1261 OXT ASP A 132 16.555 -5.881 5.705 1.00 0.00 O ATOM 0 H ASP A 132 12.680 -5.218 5.568 1.00 0.00 H new ATOM 0 HA ASP A 132 15.187 -3.755 6.011 1.00 0.00 H new ATOM 0 HB2 ASP A 132 13.645 -5.512 7.962 1.00 0.00 H new ATOM 0 HB3 ASP A 132 14.959 -4.414 8.330 1.00 0.00 H new TER 1266 ASP A 132