USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 769 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 25 ASN : amide:sc= -0.788 K(o=-0.79,f=-1.8) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot 114:sc= -0.482 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.333 USER MOD Single : A 1 MET CE :methyl -134:sc= -1.21 (180deg=-1.67) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.49 (180deg=-0.244) USER MOD Single : A 2 GLN : amide:sc= -1.36 K(o=-1.4,f=-2.7!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 175:sc= -0.54 USER MOD Single : A 14 THR OG1 : rot -61:sc= 1.02 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00661 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 139:sc= -2.58 (180deg=-7.6!) USER MOD Single : A 31 GLN : amide:sc= -1.03 K(o=-1,f=-2.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.89 K(o=-1.9,f=-2.6!) USER MOD Single : A 41 GLN : amide:sc= -8.98! C(o=-9!,f=-13!) USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0243) USER MOD Single : A 49 GLN : amide:sc= -0.067 K(o=-0.067,f=-2.2!) USER MOD Single : A 55 THR OG1 : rot 123:sc= 0.0734 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -60:sc= -1.11 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.063) USER MOD Single : A 63 LYS NZ :NH3+ -163:sc= -0.0256 (180deg=-0.407) USER MOD Single : A 65 SER OG : rot -110:sc= -0.0872 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0248 X(o=0.025,f=-0.14) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0.00945 USER MOD Single : B 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 37 GLN : amide:sc= -0.762 K(o=-0.76,f=-2.9) USER MOD Single : B 39 MET CE :methyl 158:sc= -0.0978 (180deg=-0.565) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 22 -2.710 -0.124 -16.427 1.00 0.00 N ATOM 2 CA ASP B 22 -3.286 1.184 -16.716 1.00 0.00 C ATOM 3 C ASP B 22 -2.425 2.299 -16.131 1.00 0.00 C ATOM 4 O ASP B 22 -1.638 2.071 -15.213 1.00 0.00 O ATOM 5 CB ASP B 22 -4.707 1.274 -16.155 1.00 0.00 C ATOM 6 CG ASP B 22 -5.620 0.204 -16.720 1.00 0.00 C ATOM 7 OD1 ASP B 22 -5.141 -0.926 -16.947 1.00 0.00 O ATOM 8 OD2 ASP B 22 -6.815 0.496 -16.934 1.00 0.00 O1- ATOM 0 HA ASP B 22 -3.321 1.306 -17.799 1.00 0.00 H new ATOM 0 HB2 ASP B 22 -4.673 1.182 -15.069 1.00 0.00 H new ATOM 0 HB3 ASP B 22 -5.122 2.257 -16.379 1.00 0.00 H new ATOM 13 N THR B 23 -2.581 3.504 -16.668 1.00 0.00 N ATOM 14 CA THR B 23 -1.819 4.656 -16.200 1.00 0.00 C ATOM 15 C THR B 23 -2.645 5.498 -15.232 1.00 0.00 C ATOM 16 O THR B 23 -2.468 6.712 -15.145 1.00 0.00 O ATOM 17 CB THR B 23 -1.370 5.512 -17.384 1.00 0.00 C ATOM 18 OG1 THR B 23 -2.449 5.747 -18.271 1.00 0.00 O ATOM 19 CG2 THR B 23 -0.247 4.888 -18.183 1.00 0.00 C ATOM 0 H THR B 23 -3.229 3.709 -17.429 1.00 0.00 H new ATOM 0 HA THR B 23 -0.939 4.288 -15.673 1.00 0.00 H new ATOM 0 HB THR B 23 -1.009 6.442 -16.946 1.00 0.00 H new ATOM 0 HG1 THR B 23 -2.142 6.298 -19.021 1.00 0.00 H new ATOM 0 HG21 THR B 23 0.023 5.547 -19.008 1.00 0.00 H new ATOM 0 HG22 THR B 23 0.619 4.740 -17.538 1.00 0.00 H new ATOM 0 HG23 THR B 23 -0.573 3.926 -18.579 1.00 0.00 H new ATOM 27 N GLN B 24 -3.546 4.843 -14.507 1.00 0.00 N ATOM 28 CA GLN B 24 -4.401 5.531 -13.545 1.00 0.00 C ATOM 29 C GLN B 24 -3.751 5.575 -12.165 1.00 0.00 C ATOM 30 O GLN B 24 -4.043 6.460 -11.361 1.00 0.00 O ATOM 31 CB GLN B 24 -5.763 4.841 -13.459 1.00 0.00 C ATOM 32 CG GLN B 24 -6.777 5.369 -14.460 1.00 0.00 C ATOM 33 CD GLN B 24 -8.209 5.141 -14.015 1.00 0.00 C ATOM 34 OE1 GLN B 24 -8.944 6.089 -13.742 1.00 0.00 O ATOM 35 NE2 GLN B 24 -8.610 3.877 -13.938 1.00 0.00 N ATOM 0 H GLN B 24 -3.703 3.837 -14.567 1.00 0.00 H new ATOM 0 HA GLN B 24 -4.540 6.555 -13.890 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -5.630 3.771 -13.620 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -6.161 4.965 -12.452 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -6.612 6.436 -14.610 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -6.618 4.884 -15.423 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -7.966 3.122 -14.174 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -9.562 3.661 -13.643 1.00 0.00 H new ATOM 44 N ASP B 25 -2.875 4.611 -11.892 1.00 0.00 N ATOM 45 CA ASP B 25 -2.192 4.542 -10.606 1.00 0.00 C ATOM 46 C ASP B 25 -0.882 5.324 -10.632 1.00 0.00 C ATOM 47 O ASP B 25 -0.431 5.830 -9.605 1.00 0.00 O ATOM 48 CB ASP B 25 -1.918 3.084 -10.231 1.00 0.00 C ATOM 49 CG ASP B 25 -3.178 2.241 -10.228 1.00 0.00 C ATOM 50 OD1 ASP B 25 -3.990 2.385 -11.165 1.00 0.00 O1- ATOM 51 OD2 ASP B 25 -3.352 1.436 -9.289 1.00 0.00 O ATOM 0 H ASP B 25 -2.623 3.868 -12.544 1.00 0.00 H new ATOM 0 HA ASP B 25 -2.844 4.992 -9.857 1.00 0.00 H new ATOM 0 HB2 ASP B 25 -1.202 2.659 -10.934 1.00 0.00 H new ATOM 0 HB3 ASP B 25 -1.457 3.046 -9.244 1.00 0.00 H new ATOM 56 N ASP B 26 -0.274 5.418 -11.811 1.00 0.00 N ATOM 57 CA ASP B 26 0.986 6.138 -11.965 1.00 0.00 C ATOM 58 C ASP B 26 0.813 7.630 -11.688 1.00 0.00 C ATOM 59 O ASP B 26 1.790 8.339 -11.447 1.00 0.00 O ATOM 60 CB ASP B 26 1.546 5.931 -13.374 1.00 0.00 C ATOM 61 CG ASP B 26 0.583 6.382 -14.454 1.00 0.00 C ATOM 62 OD1 ASP B 26 -0.252 7.268 -14.174 1.00 0.00 O ATOM 63 OD2 ASP B 26 0.663 5.849 -15.580 1.00 0.00 O1- ATOM 0 H ASP B 26 -0.633 5.005 -12.672 1.00 0.00 H new ATOM 0 HA ASP B 26 1.689 5.737 -11.235 1.00 0.00 H new ATOM 0 HB2 ASP B 26 2.482 6.481 -13.474 1.00 0.00 H new ATOM 0 HB3 ASP B 26 1.779 4.876 -13.517 1.00 0.00 H new ATOM 68 N PHE B 27 -0.430 8.104 -11.725 1.00 0.00 N ATOM 69 CA PHE B 27 -0.717 9.515 -11.480 1.00 0.00 C ATOM 70 C PHE B 27 -0.151 9.969 -10.134 1.00 0.00 C ATOM 71 O PHE B 27 0.121 11.152 -9.933 1.00 0.00 O ATOM 72 CB PHE B 27 -2.228 9.771 -11.538 1.00 0.00 C ATOM 73 CG PHE B 27 -2.968 9.374 -10.288 1.00 0.00 C ATOM 74 CD1 PHE B 27 -2.720 8.155 -9.677 1.00 0.00 C ATOM 75 CD2 PHE B 27 -3.909 10.221 -9.729 1.00 0.00 C ATOM 76 CE1 PHE B 27 -3.399 7.790 -8.529 1.00 0.00 C ATOM 77 CE2 PHE B 27 -4.590 9.862 -8.581 1.00 0.00 C ATOM 78 CZ PHE B 27 -4.335 8.645 -7.981 1.00 0.00 C ATOM 0 H PHE B 27 -1.252 7.534 -11.922 1.00 0.00 H new ATOM 0 HA PHE B 27 -0.231 10.098 -12.263 1.00 0.00 H new ATOM 0 HB2 PHE B 27 -2.399 10.831 -11.727 1.00 0.00 H new ATOM 0 HB3 PHE B 27 -2.646 9.225 -12.384 1.00 0.00 H new ATOM 0 HD1 PHE B 27 -1.989 7.483 -10.102 1.00 0.00 H new ATOM 0 HD2 PHE B 27 -4.114 11.173 -10.195 1.00 0.00 H new ATOM 0 HE1 PHE B 27 -3.198 6.837 -8.061 1.00 0.00 H new ATOM 0 HE2 PHE B 27 -5.321 10.533 -8.154 1.00 0.00 H new ATOM 0 HZ PHE B 27 -4.867 8.362 -7.085 1.00 0.00 H new ATOM 88 N LEU B 28 0.018 9.022 -9.215 1.00 0.00 N ATOM 89 CA LEU B 28 0.547 9.330 -7.891 1.00 0.00 C ATOM 90 C LEU B 28 1.923 9.989 -7.987 1.00 0.00 C ATOM 91 O LEU B 28 2.323 10.741 -7.098 1.00 0.00 O ATOM 92 CB LEU B 28 0.602 8.060 -7.025 1.00 0.00 C ATOM 93 CG LEU B 28 1.886 7.217 -7.112 1.00 0.00 C ATOM 94 CD1 LEU B 28 2.291 6.964 -8.557 1.00 0.00 C ATOM 95 CD2 LEU B 28 3.019 7.881 -6.342 1.00 0.00 C ATOM 0 H LEU B 28 -0.203 8.037 -9.363 1.00 0.00 H new ATOM 0 HA LEU B 28 -0.126 10.041 -7.412 1.00 0.00 H new ATOM 0 HB2 LEU B 28 0.457 8.351 -5.985 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -0.241 7.425 -7.299 1.00 0.00 H new ATOM 0 HG LEU B 28 1.678 6.250 -6.654 1.00 0.00 H new ATOM 0 HD11 LEU B 28 3.202 6.366 -8.580 1.00 0.00 H new ATOM 0 HD12 LEU B 28 1.492 6.429 -9.070 1.00 0.00 H new ATOM 0 HD13 LEU B 28 2.470 7.916 -9.057 1.00 0.00 H new ATOM 0 HD21 LEU B 28 3.917 7.268 -6.416 1.00 0.00 H new ATOM 0 HD22 LEU B 28 3.216 8.867 -6.763 1.00 0.00 H new ATOM 0 HD23 LEU B 28 2.736 7.984 -5.294 1.00 0.00 H new ATOM 107 N LYS B 29 2.639 9.702 -9.068 1.00 0.00 N ATOM 108 CA LYS B 29 3.968 10.267 -9.277 1.00 0.00 C ATOM 109 C LYS B 29 3.924 11.794 -9.276 1.00 0.00 C ATOM 110 O LYS B 29 4.936 12.453 -9.039 1.00 0.00 O ATOM 111 CB LYS B 29 4.555 9.765 -10.598 1.00 0.00 C ATOM 112 CG LYS B 29 5.346 8.474 -10.461 1.00 0.00 C ATOM 113 CD LYS B 29 5.214 7.607 -11.702 1.00 0.00 C ATOM 114 CE LYS B 29 5.957 6.290 -11.542 1.00 0.00 C ATOM 115 NZ LYS B 29 7.332 6.355 -12.112 1.00 0.00 N1+ ATOM 0 H LYS B 29 2.322 9.082 -9.813 1.00 0.00 H new ATOM 0 HA LYS B 29 4.604 9.942 -8.454 1.00 0.00 H new ATOM 0 HB2 LYS B 29 3.745 9.611 -11.311 1.00 0.00 H new ATOM 0 HB3 LYS B 29 5.203 10.536 -11.014 1.00 0.00 H new ATOM 0 HG2 LYS B 29 6.397 8.706 -10.288 1.00 0.00 H new ATOM 0 HG3 LYS B 29 4.994 7.921 -9.590 1.00 0.00 H new ATOM 0 HD2 LYS B 29 4.160 7.410 -11.899 1.00 0.00 H new ATOM 0 HD3 LYS B 29 5.605 8.144 -12.566 1.00 0.00 H new ATOM 0 HE2 LYS B 29 6.014 6.032 -10.485 1.00 0.00 H new ATOM 0 HE3 LYS B 29 5.397 5.495 -12.035 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 7.805 5.438 -11.983 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 7.277 6.576 -13.127 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 7.875 7.096 -11.625 1.00 0.00 H new ATOM 129 N TRP B 30 2.747 12.351 -9.543 1.00 0.00 N ATOM 130 CA TRP B 30 2.575 13.800 -9.573 1.00 0.00 C ATOM 131 C TRP B 30 2.744 14.408 -8.180 1.00 0.00 C ATOM 132 O TRP B 30 2.888 15.623 -8.040 1.00 0.00 O ATOM 133 CB TRP B 30 1.197 14.158 -10.134 1.00 0.00 C ATOM 134 CG TRP B 30 1.192 14.345 -11.620 1.00 0.00 C ATOM 135 CD1 TRP B 30 1.060 15.524 -12.296 1.00 0.00 C ATOM 136 CD2 TRP B 30 1.323 13.323 -12.615 1.00 0.00 C ATOM 137 NE1 TRP B 30 1.101 15.298 -13.651 1.00 0.00 N ATOM 138 CE2 TRP B 30 1.262 13.955 -13.872 1.00 0.00 C ATOM 139 CE3 TRP B 30 1.488 11.936 -12.565 1.00 0.00 C ATOM 140 CZ2 TRP B 30 1.360 13.245 -15.066 1.00 0.00 C ATOM 141 CZ3 TRP B 30 1.583 11.234 -13.751 1.00 0.00 C ATOM 142 CH2 TRP B 30 1.519 11.889 -14.987 1.00 0.00 C ATOM 0 H TRP B 30 1.898 11.821 -9.742 1.00 0.00 H new ATOM 0 HA TRP B 30 3.347 14.215 -10.222 1.00 0.00 H new ATOM 0 HB2 TRP B 30 0.490 13.371 -9.872 1.00 0.00 H new ATOM 0 HB3 TRP B 30 0.846 15.074 -9.658 1.00 0.00 H new ATOM 0 HD1 TRP B 30 0.941 16.493 -11.833 1.00 0.00 H new ATOM 0 HE1 TRP B 30 1.024 16.013 -14.374 1.00 0.00 H new ATOM 0 HE3 TRP B 30 1.540 11.422 -11.616 1.00 0.00 H new ATOM 0 HZ2 TRP B 30 1.312 13.748 -16.021 1.00 0.00 H new ATOM 0 HZ3 TRP B 30 1.709 10.162 -13.724 1.00 0.00 H new ATOM 0 HH2 TRP B 30 1.597 11.312 -15.896 1.00 0.00 H new ATOM 153 N TRP B 31 2.722 13.562 -7.153 1.00 0.00 N ATOM 154 CA TRP B 31 2.871 14.027 -5.778 1.00 0.00 C ATOM 155 C TRP B 31 4.332 13.989 -5.333 1.00 0.00 C ATOM 156 O TRP B 31 4.625 14.044 -4.138 1.00 0.00 O ATOM 157 CB TRP B 31 2.017 13.175 -4.837 1.00 0.00 C ATOM 158 CG TRP B 31 0.689 13.790 -4.518 1.00 0.00 C ATOM 159 CD1 TRP B 31 0.456 14.854 -3.694 1.00 0.00 C ATOM 160 CD2 TRP B 31 -0.589 13.378 -5.014 1.00 0.00 C ATOM 161 NE1 TRP B 31 -0.890 15.128 -3.649 1.00 0.00 N ATOM 162 CE2 TRP B 31 -1.552 14.236 -4.451 1.00 0.00 C ATOM 163 CE3 TRP B 31 -1.013 12.366 -5.881 1.00 0.00 C ATOM 164 CZ2 TRP B 31 -2.912 14.113 -4.727 1.00 0.00 C ATOM 165 CZ3 TRP B 31 -2.363 12.245 -6.154 1.00 0.00 C ATOM 166 CH2 TRP B 31 -3.298 13.115 -5.579 1.00 0.00 C ATOM 0 H TRP B 31 2.603 12.553 -7.247 1.00 0.00 H new ATOM 0 HA TRP B 31 2.531 15.062 -5.737 1.00 0.00 H new ATOM 0 HB2 TRP B 31 1.857 12.197 -5.290 1.00 0.00 H new ATOM 0 HB3 TRP B 31 2.565 13.011 -3.909 1.00 0.00 H new ATOM 0 HD1 TRP B 31 1.218 15.400 -3.157 1.00 0.00 H new ATOM 0 HE1 TRP B 31 -1.325 15.874 -3.107 1.00 0.00 H new ATOM 0 HE3 TRP B 31 -0.299 11.691 -6.329 1.00 0.00 H new ATOM 0 HZ2 TRP B 31 -3.635 14.782 -4.284 1.00 0.00 H new ATOM 0 HZ3 TRP B 31 -2.702 11.467 -6.822 1.00 0.00 H new ATOM 0 HH2 TRP B 31 -4.345 12.995 -5.813 1.00 0.00 H new ATOM 177 N ARG B 32 5.248 13.897 -6.294 1.00 0.00 N ATOM 178 CA ARG B 32 6.672 13.855 -5.986 1.00 0.00 C ATOM 179 C ARG B 32 7.176 15.228 -5.554 1.00 0.00 C ATOM 180 O ARG B 32 7.866 15.358 -4.542 1.00 0.00 O ATOM 181 CB ARG B 32 7.465 13.367 -7.202 1.00 0.00 C ATOM 182 CG ARG B 32 8.588 12.405 -6.850 1.00 0.00 C ATOM 183 CD ARG B 32 9.702 13.104 -6.088 1.00 0.00 C ATOM 184 NE ARG B 32 10.668 13.732 -6.987 1.00 0.00 N ATOM 185 CZ ARG B 32 11.595 13.060 -7.665 1.00 0.00 C ATOM 186 NH1 ARG B 32 11.686 11.741 -7.550 1.00 0.00 N1+ ATOM 187 NH2 ARG B 32 12.435 13.709 -8.462 1.00 0.00 N ATOM 0 H ARG B 32 5.029 13.850 -7.289 1.00 0.00 H new ATOM 0 HA ARG B 32 6.819 13.158 -5.161 1.00 0.00 H new ATOM 0 HB2 ARG B 32 6.783 12.877 -7.897 1.00 0.00 H new ATOM 0 HB3 ARG B 32 7.885 14.229 -7.721 1.00 0.00 H new ATOM 0 HG2 ARG B 32 8.192 11.587 -6.249 1.00 0.00 H new ATOM 0 HG3 ARG B 32 8.990 11.965 -7.762 1.00 0.00 H new ATOM 0 HD2 ARG B 32 9.273 13.860 -5.431 1.00 0.00 H new ATOM 0 HD3 ARG B 32 10.214 12.383 -5.452 1.00 0.00 H new ATOM 0 HE ARG B 32 10.629 14.745 -7.101 1.00 0.00 H new ATOM 0 HH11 ARG B 32 11.043 11.237 -6.939 1.00 0.00 H new ATOM 0 HH12 ARG B 32 12.399 11.231 -8.072 1.00 0.00 H new ATOM 0 HH21 ARG B 32 12.370 14.723 -8.555 1.00 0.00 H new ATOM 0 HH22 ARG B 32 13.146 13.194 -8.982 1.00 0.00 H new ATOM 201 N SER B 33 6.826 16.251 -6.327 1.00 0.00 N ATOM 202 CA SER B 33 7.241 17.616 -6.024 1.00 0.00 C ATOM 203 C SER B 33 6.286 18.269 -5.031 1.00 0.00 C ATOM 204 O SER B 33 6.685 19.131 -4.247 1.00 0.00 O ATOM 205 CB SER B 33 7.309 18.446 -7.307 1.00 0.00 C ATOM 206 OG SER B 33 6.049 18.489 -7.954 1.00 0.00 O ATOM 0 H SER B 33 6.256 16.161 -7.168 1.00 0.00 H new ATOM 0 HA SER B 33 8.232 17.576 -5.572 1.00 0.00 H new ATOM 0 HB2 SER B 33 7.635 19.459 -7.072 1.00 0.00 H new ATOM 0 HB3 SER B 33 8.053 18.020 -7.980 1.00 0.00 H new ATOM 0 HG SER B 33 6.119 19.027 -8.770 1.00 0.00 H new ATOM 212 N GLU B 34 5.024 17.855 -5.069 1.00 0.00 N ATOM 213 CA GLU B 34 4.012 18.401 -4.172 1.00 0.00 C ATOM 214 C GLU B 34 4.405 18.189 -2.713 1.00 0.00 C ATOM 215 O GLU B 34 4.082 19.004 -1.849 1.00 0.00 O ATOM 216 CB GLU B 34 2.654 17.751 -4.445 1.00 0.00 C ATOM 217 CG GLU B 34 2.045 18.153 -5.778 1.00 0.00 C ATOM 218 CD GLU B 34 0.951 19.193 -5.630 1.00 0.00 C ATOM 219 OE1 GLU B 34 0.233 19.156 -4.610 1.00 0.00 O1- ATOM 220 OE2 GLU B 34 0.814 20.043 -6.535 1.00 0.00 O ATOM 0 H GLU B 34 4.677 17.143 -5.712 1.00 0.00 H new ATOM 0 HA GLU B 34 3.939 19.473 -4.358 1.00 0.00 H new ATOM 0 HB2 GLU B 34 2.767 16.667 -4.419 1.00 0.00 H new ATOM 0 HB3 GLU B 34 1.965 18.019 -3.644 1.00 0.00 H new ATOM 0 HG2 GLU B 34 2.828 18.545 -6.427 1.00 0.00 H new ATOM 0 HG3 GLU B 34 1.637 17.269 -6.268 1.00 0.00 H new ATOM 227 N GLU B 35 5.103 17.091 -2.447 1.00 0.00 N ATOM 228 CA GLU B 35 5.541 16.773 -1.093 1.00 0.00 C ATOM 229 C GLU B 35 6.850 17.482 -0.763 1.00 0.00 C ATOM 230 O GLU B 35 7.101 17.841 0.387 1.00 0.00 O ATOM 231 CB GLU B 35 5.712 15.261 -0.931 1.00 0.00 C ATOM 232 CG GLU B 35 4.405 14.526 -0.679 1.00 0.00 C ATOM 233 CD GLU B 35 4.466 13.070 -1.099 1.00 0.00 C ATOM 234 OE1 GLU B 35 5.269 12.316 -0.511 1.00 0.00 O1- ATOM 235 OE2 GLU B 35 3.710 12.685 -2.016 1.00 0.00 O ATOM 0 H GLU B 35 5.378 16.406 -3.151 1.00 0.00 H new ATOM 0 HA GLU B 35 4.775 17.122 -0.400 1.00 0.00 H new ATOM 0 HB2 GLU B 35 6.179 14.858 -1.830 1.00 0.00 H new ATOM 0 HB3 GLU B 35 6.394 15.067 -0.103 1.00 0.00 H new ATOM 0 HG2 GLU B 35 4.158 14.585 0.381 1.00 0.00 H new ATOM 0 HG3 GLU B 35 3.602 15.024 -1.222 1.00 0.00 H new ATOM 242 N ALA B 36 7.682 17.682 -1.781 1.00 0.00 N ATOM 243 CA ALA B 36 8.965 18.349 -1.599 1.00 0.00 C ATOM 244 C ALA B 36 8.946 19.749 -2.203 1.00 0.00 C ATOM 245 O ALA B 36 9.479 19.974 -3.289 1.00 0.00 O ATOM 246 CB ALA B 36 10.082 17.520 -2.216 1.00 0.00 C ATOM 0 H ALA B 36 7.490 17.391 -2.740 1.00 0.00 H new ATOM 0 HA ALA B 36 9.148 18.446 -0.529 1.00 0.00 H new ATOM 0 HB1 ALA B 36 11.035 18.030 -2.073 1.00 0.00 H new ATOM 0 HB2 ALA B 36 10.118 16.542 -1.735 1.00 0.00 H new ATOM 0 HB3 ALA B 36 9.895 17.393 -3.282 1.00 0.00 H new ATOM 252 N GLN B 37 8.327 20.686 -1.493 1.00 0.00 N ATOM 253 CA GLN B 37 8.237 22.064 -1.959 1.00 0.00 C ATOM 254 C GLN B 37 9.261 22.946 -1.251 1.00 0.00 C ATOM 255 O GLN B 37 9.875 22.534 -0.267 1.00 0.00 O ATOM 256 CB GLN B 37 6.828 22.613 -1.728 1.00 0.00 C ATOM 257 CG GLN B 37 6.277 22.308 -0.345 1.00 0.00 C ATOM 258 CD GLN B 37 4.963 23.014 -0.072 1.00 0.00 C ATOM 259 OE1 GLN B 37 4.630 24.003 -0.725 1.00 0.00 O ATOM 260 NE2 GLN B 37 4.210 22.509 0.898 1.00 0.00 N ATOM 0 H GLN B 37 7.880 20.516 -0.592 1.00 0.00 H new ATOM 0 HA GLN B 37 8.452 22.074 -3.028 1.00 0.00 H new ATOM 0 HB2 GLN B 37 6.839 23.693 -1.876 1.00 0.00 H new ATOM 0 HB3 GLN B 37 6.156 22.195 -2.478 1.00 0.00 H new ATOM 0 HG2 GLN B 37 6.135 21.232 -0.244 1.00 0.00 H new ATOM 0 HG3 GLN B 37 7.008 22.605 0.407 1.00 0.00 H new ATOM 0 HE21 GLN B 37 4.526 21.687 1.413 1.00 0.00 H new ATOM 0 HE22 GLN B 37 3.316 22.943 1.128 1.00 0.00 H new ATOM 269 N ASP B 38 9.441 24.160 -1.760 1.00 0.00 N ATOM 270 CA ASP B 38 10.390 25.101 -1.176 1.00 0.00 C ATOM 271 C ASP B 38 9.722 26.442 -0.892 1.00 0.00 C ATOM 272 O ASP B 38 9.904 27.023 0.179 1.00 0.00 O ATOM 273 CB ASP B 38 11.583 25.301 -2.113 1.00 0.00 C ATOM 274 CG ASP B 38 12.603 24.185 -1.996 1.00 0.00 C ATOM 275 OD1 ASP B 38 12.191 23.023 -1.791 1.00 0.00 O ATOM 276 OD2 ASP B 38 13.813 24.473 -2.111 1.00 0.00 O1- ATOM 0 H ASP B 38 8.942 24.516 -2.576 1.00 0.00 H new ATOM 0 HA ASP B 38 10.743 24.684 -0.233 1.00 0.00 H new ATOM 0 HB2 ASP B 38 11.228 25.359 -3.142 1.00 0.00 H new ATOM 0 HB3 ASP B 38 12.063 26.253 -1.888 1.00 0.00 H new ATOM 281 N MET B 39 8.948 26.929 -1.856 1.00 0.00 N ATOM 282 CA MET B 39 8.253 28.202 -1.709 1.00 0.00 C ATOM 283 C MET B 39 6.867 27.999 -1.104 1.00 0.00 C ATOM 284 O MET B 39 5.858 28.044 -1.808 1.00 0.00 O ATOM 285 CB MET B 39 8.133 28.902 -3.065 1.00 0.00 C ATOM 286 CG MET B 39 9.306 29.815 -3.383 1.00 0.00 C ATOM 287 SD MET B 39 8.979 30.900 -4.785 1.00 0.00 S ATOM 288 CE MET B 39 7.762 32.009 -4.080 1.00 0.00 C ATOM 0 H MET B 39 8.786 26.461 -2.748 1.00 0.00 H new ATOM 0 HA MET B 39 8.836 28.829 -1.035 1.00 0.00 H new ATOM 0 HB2 MET B 39 8.047 28.148 -3.848 1.00 0.00 H new ATOM 0 HB3 MET B 39 7.213 29.486 -3.083 1.00 0.00 H new ATOM 0 HG2 MET B 39 9.539 30.420 -2.507 1.00 0.00 H new ATOM 0 HG3 MET B 39 10.187 29.209 -3.595 1.00 0.00 H new ATOM 0 HE1 MET B 39 7.746 32.939 -4.648 1.00 0.00 H new ATOM 0 HE2 MET B 39 6.778 31.542 -4.120 1.00 0.00 H new ATOM 0 HE3 MET B 39 8.021 32.221 -3.043 1.00 0.00 H new ATOM 298 N GLY B 40 6.827 27.774 0.206 1.00 0.00 N ATOM 299 CA GLY B 40 5.561 27.568 0.884 1.00 0.00 C ATOM 300 C GLY B 40 5.308 26.108 1.207 1.00 0.00 C ATOM 301 O GLY B 40 4.154 25.765 1.538 1.00 0.00 O ATOM 302 OXT GLY B 40 6.264 25.309 1.130 1.00 0.00 O ATOM 0 H GLY B 40 7.648 27.731 0.809 1.00 0.00 H new ATOM 0 HA2 GLY B 40 5.547 28.149 1.806 1.00 0.00 H new ATOM 0 HA3 GLY B 40 4.752 27.944 0.258 1.00 0.00 H new TER 306 GLY B 40 ATOM 307 N MET A 1 -6.498 -8.622 8.105 1.00 0.00 N ATOM 308 CA MET A 1 -5.510 -8.861 7.021 1.00 0.00 C ATOM 309 C MET A 1 -4.287 -7.962 7.181 1.00 0.00 C ATOM 310 O MET A 1 -4.412 -6.744 7.298 1.00 0.00 O ATOM 311 CB MET A 1 -6.188 -8.593 5.676 1.00 0.00 C ATOM 312 CG MET A 1 -6.619 -7.147 5.488 1.00 0.00 C ATOM 313 SD MET A 1 -8.354 -6.991 5.024 1.00 0.00 S ATOM 314 CE MET A 1 -8.208 -6.019 3.529 1.00 0.00 C ATOM 0 H1 MET A 1 -6.597 -9.483 8.680 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.171 -7.839 8.707 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.418 -8.377 7.688 1.00 0.00 H new ATOM 0 HA MET A 1 -5.167 -9.895 7.071 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.504 -8.867 4.873 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.062 -9.238 5.584 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.444 -6.597 6.413 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.999 -6.685 4.720 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.939 -5.210 3.548 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.204 -5.599 3.464 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.392 -6.654 2.663 1.00 0.00 H new ATOM 326 N GLN A 2 -3.106 -8.572 7.183 1.00 0.00 N ATOM 327 CA GLN A 2 -1.862 -7.825 7.326 1.00 0.00 C ATOM 328 C GLN A 2 -1.412 -7.265 5.981 1.00 0.00 C ATOM 329 O GLN A 2 -0.741 -7.947 5.208 1.00 0.00 O ATOM 330 CB GLN A 2 -0.770 -8.721 7.916 1.00 0.00 C ATOM 331 CG GLN A 2 -0.087 -8.125 9.136 1.00 0.00 C ATOM 332 CD GLN A 2 -0.457 -8.841 10.421 1.00 0.00 C ATOM 333 OE1 GLN A 2 -0.805 -8.210 11.419 1.00 0.00 O ATOM 334 NE2 GLN A 2 -0.382 -10.167 10.402 1.00 0.00 N ATOM 0 H GLN A 2 -2.985 -9.580 7.087 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.039 -6.991 8.005 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.208 -9.682 8.188 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -0.020 -8.918 7.150 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.994 -8.167 8.999 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -0.357 -7.072 9.221 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -0.089 -10.649 9.552 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -0.618 -10.703 11.237 1.00 0.00 H new ATOM 343 N ILE A 3 -1.785 -6.019 5.710 1.00 0.00 N ATOM 344 CA ILE A 3 -1.420 -5.367 4.457 1.00 0.00 C ATOM 345 C ILE A 3 -0.178 -4.503 4.632 1.00 0.00 C ATOM 346 O ILE A 3 0.075 -3.979 5.716 1.00 0.00 O ATOM 347 CB ILE A 3 -2.570 -4.492 3.923 1.00 0.00 C ATOM 348 CG1 ILE A 3 -3.052 -3.526 5.007 1.00 0.00 C ATOM 349 CG2 ILE A 3 -3.718 -5.364 3.436 1.00 0.00 C ATOM 350 CD1 ILE A 3 -3.609 -2.236 4.462 1.00 0.00 C ATOM 0 H ILE A 3 -2.340 -5.440 6.341 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.212 -6.158 3.736 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.200 -3.908 3.080 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.818 -4.018 5.606 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.221 -3.300 5.675 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.523 -4.731 3.062 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.366 -6.015 2.635 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.089 -5.972 4.261 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.931 -1.601 5.288 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.839 -1.721 3.887 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.461 -2.451 3.817 1.00 0.00 H new ATOM 362 N PHE A 4 0.597 -4.357 3.561 1.00 0.00 N ATOM 363 CA PHE A 4 1.812 -3.556 3.613 1.00 0.00 C ATOM 364 C PHE A 4 1.583 -2.170 3.021 1.00 0.00 C ATOM 365 O PHE A 4 1.274 -2.029 1.838 1.00 0.00 O ATOM 366 CB PHE A 4 2.953 -4.270 2.880 1.00 0.00 C ATOM 367 CG PHE A 4 3.998 -4.804 3.815 1.00 0.00 C ATOM 368 CD1 PHE A 4 4.649 -3.955 4.691 1.00 0.00 C ATOM 369 CD2 PHE A 4 4.317 -6.152 3.832 1.00 0.00 C ATOM 370 CE1 PHE A 4 5.601 -4.434 5.569 1.00 0.00 C ATOM 371 CE2 PHE A 4 5.267 -6.641 4.709 1.00 0.00 C ATOM 372 CZ PHE A 4 5.910 -5.781 5.580 1.00 0.00 C ATOM 0 H PHE A 4 0.406 -4.781 2.653 1.00 0.00 H new ATOM 0 HA PHE A 4 2.090 -3.432 4.660 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.544 -5.091 2.292 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.419 -3.577 2.179 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.409 -2.902 4.688 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.818 -6.828 3.153 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.103 -3.758 6.245 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.507 -7.694 4.714 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.652 -6.161 6.267 1.00 0.00 H new ATOM 382 N VAL A 5 1.737 -1.149 3.858 1.00 0.00 N ATOM 383 CA VAL A 5 1.551 0.229 3.426 1.00 0.00 C ATOM 384 C VAL A 5 2.877 0.852 3.005 1.00 0.00 C ATOM 385 O VAL A 5 3.729 1.148 3.844 1.00 0.00 O ATOM 386 CB VAL A 5 0.924 1.089 4.541 1.00 0.00 C ATOM 387 CG1 VAL A 5 0.590 2.480 4.023 1.00 0.00 C ATOM 388 CG2 VAL A 5 -0.319 0.412 5.106 1.00 0.00 C ATOM 0 H VAL A 5 1.991 -1.252 4.841 1.00 0.00 H new ATOM 0 HA VAL A 5 0.873 0.206 2.573 1.00 0.00 H new ATOM 0 HB VAL A 5 1.653 1.191 5.345 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.149 3.071 4.826 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.501 2.966 3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.119 2.401 3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.747 1.035 5.892 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.052 0.276 4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.048 -0.559 5.520 1.00 0.00 H new ATOM 398 N LYS A 6 3.044 1.047 1.700 1.00 0.00 N ATOM 399 CA LYS A 6 4.268 1.634 1.165 1.00 0.00 C ATOM 400 C LYS A 6 4.120 3.142 0.996 1.00 0.00 C ATOM 401 O LYS A 6 3.197 3.615 0.332 1.00 0.00 O ATOM 402 CB LYS A 6 4.620 0.993 -0.178 1.00 0.00 C ATOM 403 CG LYS A 6 6.052 1.250 -0.619 1.00 0.00 C ATOM 404 CD LYS A 6 6.595 0.096 -1.446 1.00 0.00 C ATOM 405 CE LYS A 6 7.871 0.487 -2.175 1.00 0.00 C ATOM 406 NZ LYS A 6 8.576 -0.698 -2.736 1.00 0.00 N1+ ATOM 0 H LYS A 6 2.348 0.807 0.994 1.00 0.00 H new ATOM 0 HA LYS A 6 5.073 1.443 1.875 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.457 -0.083 -0.111 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.940 1.372 -0.941 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.095 2.169 -1.203 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.683 1.399 0.257 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.792 -0.757 -0.797 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.843 -0.220 -2.169 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.631 1.181 -2.980 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.535 1.013 -1.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.440 -0.389 -3.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.828 -1.349 -1.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.953 -1.186 -3.411 1.00 0.00 H new ATOM 420 N THR A 7 5.034 3.894 1.600 1.00 0.00 N ATOM 421 CA THR A 7 5.004 5.349 1.515 1.00 0.00 C ATOM 422 C THR A 7 5.752 5.838 0.278 1.00 0.00 C ATOM 423 O THR A 7 6.389 5.053 -0.425 1.00 0.00 O ATOM 424 CB THR A 7 5.613 5.970 2.772 1.00 0.00 C ATOM 425 OG1 THR A 7 7.001 5.696 2.844 1.00 0.00 O ATOM 426 CG2 THR A 7 4.981 5.471 4.053 1.00 0.00 C ATOM 0 H THR A 7 5.805 3.520 2.154 1.00 0.00 H new ATOM 0 HA THR A 7 3.962 5.660 1.435 1.00 0.00 H new ATOM 0 HB THR A 7 5.425 7.040 2.686 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.505 6.531 2.751 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.460 5.952 4.906 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.918 5.710 4.051 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.110 4.391 4.126 1.00 0.00 H new ATOM 434 N LEU A 8 5.672 7.139 0.020 1.00 0.00 N ATOM 435 CA LEU A 8 6.342 7.735 -1.130 1.00 0.00 C ATOM 436 C LEU A 8 7.846 7.481 -1.073 1.00 0.00 C ATOM 437 O LEU A 8 8.451 7.052 -2.056 1.00 0.00 O ATOM 438 CB LEU A 8 6.063 9.241 -1.187 1.00 0.00 C ATOM 439 CG LEU A 8 5.072 9.689 -2.260 1.00 0.00 C ATOM 440 CD1 LEU A 8 5.770 9.803 -3.592 1.00 0.00 C ATOM 441 CD2 LEU A 8 3.904 8.726 -2.379 1.00 0.00 C ATOM 0 H LEU A 8 5.149 7.802 0.593 1.00 0.00 H new ATOM 0 HA LEU A 8 5.948 7.268 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.687 9.560 -0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.007 9.761 -1.350 1.00 0.00 H new ATOM 0 HG LEU A 8 4.681 10.662 -1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.056 10.123 -4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.575 10.535 -3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.185 8.834 -3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.220 9.077 -3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.274 7.736 -2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.378 8.673 -1.426 1.00 0.00 H new ATOM 453 N THR A 9 8.442 7.747 0.085 1.00 0.00 N ATOM 454 CA THR A 9 9.874 7.545 0.271 1.00 0.00 C ATOM 455 C THR A 9 10.253 6.088 0.027 1.00 0.00 C ATOM 456 O THR A 9 11.373 5.789 -0.391 1.00 0.00 O ATOM 457 CB THR A 9 10.290 7.963 1.682 1.00 0.00 C ATOM 458 OG1 THR A 9 9.260 7.681 2.613 1.00 0.00 O ATOM 459 CG2 THR A 9 10.622 9.435 1.797 1.00 0.00 C ATOM 0 H THR A 9 7.956 8.103 0.908 1.00 0.00 H new ATOM 0 HA THR A 9 10.401 8.165 -0.454 1.00 0.00 H new ATOM 0 HB THR A 9 11.189 7.386 1.900 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.546 7.954 3.510 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.909 9.664 2.823 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.448 9.675 1.127 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.749 10.027 1.524 1.00 0.00 H new ATOM 467 N GLY A 10 9.314 5.185 0.288 1.00 0.00 N ATOM 468 CA GLY A 10 9.569 3.771 0.091 1.00 0.00 C ATOM 469 C GLY A 10 9.562 2.993 1.393 1.00 0.00 C ATOM 470 O GLY A 10 10.444 2.168 1.634 1.00 0.00 O ATOM 0 H GLY A 10 8.380 5.408 0.633 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.814 3.359 -0.579 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.534 3.644 -0.399 1.00 0.00 H new ATOM 474 N LYS A 11 8.566 3.255 2.233 1.00 0.00 N ATOM 475 CA LYS A 11 8.451 2.573 3.516 1.00 0.00 C ATOM 476 C LYS A 11 7.225 1.665 3.545 1.00 0.00 C ATOM 477 O LYS A 11 6.099 2.132 3.712 1.00 0.00 O ATOM 478 CB LYS A 11 8.374 3.591 4.657 1.00 0.00 C ATOM 479 CG LYS A 11 8.177 2.957 6.027 1.00 0.00 C ATOM 480 CD LYS A 11 7.802 3.984 7.073 1.00 0.00 C ATOM 481 CE LYS A 11 8.634 3.830 8.335 1.00 0.00 C ATOM 482 NZ LYS A 11 8.790 5.123 9.059 1.00 0.00 N1+ ATOM 0 H LYS A 11 7.828 3.934 2.048 1.00 0.00 H new ATOM 0 HA LYS A 11 9.340 1.956 3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.290 4.182 4.668 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.552 4.280 4.463 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.397 2.198 5.967 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.094 2.450 6.328 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.940 4.986 6.666 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.745 3.883 7.319 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.163 3.100 8.993 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.618 3.438 8.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.364 4.975 9.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.262 5.813 8.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.853 5.485 9.329 1.00 0.00 H new ATOM 496 N THR A 12 7.456 0.366 3.388 1.00 0.00 N ATOM 497 CA THR A 12 6.374 -0.612 3.404 1.00 0.00 C ATOM 498 C THR A 12 6.270 -1.265 4.778 1.00 0.00 C ATOM 499 O THR A 12 7.113 -2.081 5.151 1.00 0.00 O ATOM 500 CB THR A 12 6.607 -1.678 2.332 1.00 0.00 C ATOM 501 OG1 THR A 12 7.523 -1.218 1.355 1.00 0.00 O ATOM 502 CG2 THR A 12 5.341 -2.092 1.613 1.00 0.00 C ATOM 0 H THR A 12 8.384 -0.034 3.248 1.00 0.00 H new ATOM 0 HA THR A 12 5.438 -0.097 3.189 1.00 0.00 H new ATOM 0 HB THR A 12 7.001 -2.541 2.868 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.720 -1.942 0.725 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.578 -2.850 0.866 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.631 -2.500 2.332 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.901 -1.224 1.122 1.00 0.00 H new ATOM 510 N ILE A 13 5.239 -0.898 5.535 1.00 0.00 N ATOM 511 CA ILE A 13 5.047 -1.451 6.871 1.00 0.00 C ATOM 512 C ILE A 13 3.837 -2.377 6.940 1.00 0.00 C ATOM 513 O ILE A 13 2.793 -2.100 6.350 1.00 0.00 O ATOM 514 CB ILE A 13 4.876 -0.345 7.925 1.00 0.00 C ATOM 515 CG1 ILE A 13 6.113 0.531 7.989 1.00 0.00 C ATOM 516 CG2 ILE A 13 4.616 -0.958 9.278 1.00 0.00 C ATOM 517 CD1 ILE A 13 7.351 -0.237 8.337 1.00 0.00 C ATOM 0 H ILE A 13 4.529 -0.225 5.248 1.00 0.00 H new ATOM 0 HA ILE A 13 5.949 -2.024 7.087 1.00 0.00 H new ATOM 0 HB ILE A 13 4.025 0.274 7.639 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.255 1.023 7.027 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.958 1.317 8.729 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.496 -0.167 10.019 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.707 -1.558 9.237 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.457 -1.593 9.558 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.203 0.442 8.368 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.225 -0.707 9.312 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.526 -1.005 7.584 1.00 0.00 H new ATOM 529 N THR A 14 3.988 -3.474 7.679 1.00 0.00 N ATOM 530 CA THR A 14 2.908 -4.437 7.842 1.00 0.00 C ATOM 531 C THR A 14 1.871 -3.901 8.818 1.00 0.00 C ATOM 532 O THR A 14 2.133 -3.774 10.014 1.00 0.00 O ATOM 533 CB THR A 14 3.451 -5.778 8.340 1.00 0.00 C ATOM 534 OG1 THR A 14 4.839 -5.886 8.080 1.00 0.00 O ATOM 535 CG2 THR A 14 2.769 -6.969 7.702 1.00 0.00 C ATOM 0 H THR A 14 4.847 -3.715 8.173 1.00 0.00 H new ATOM 0 HA THR A 14 2.437 -4.593 6.871 1.00 0.00 H new ATOM 0 HB THR A 14 3.250 -5.793 9.411 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.995 -5.838 7.114 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.199 -7.889 8.097 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.703 -6.941 7.927 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.913 -6.935 6.622 1.00 0.00 H new ATOM 543 N LEU A 15 0.697 -3.577 8.297 1.00 0.00 N ATOM 544 CA LEU A 15 -0.379 -3.042 9.114 1.00 0.00 C ATOM 545 C LEU A 15 -1.659 -3.848 8.915 1.00 0.00 C ATOM 546 O LEU A 15 -2.165 -3.967 7.798 1.00 0.00 O ATOM 547 CB LEU A 15 -0.604 -1.569 8.760 1.00 0.00 C ATOM 548 CG LEU A 15 -1.334 -0.739 9.817 1.00 0.00 C ATOM 549 CD1 LEU A 15 -2.659 -1.386 10.182 1.00 0.00 C ATOM 550 CD2 LEU A 15 -0.463 -0.564 11.052 1.00 0.00 C ATOM 0 H LEU A 15 0.466 -3.676 7.308 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.100 -3.116 10.165 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.365 -1.108 8.567 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.171 -1.520 7.830 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.539 0.247 9.400 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.164 -0.781 10.935 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.286 -1.457 9.293 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.479 -2.385 10.580 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.998 0.029 11.794 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.226 -1.542 11.472 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.460 -0.054 10.777 1.00 0.00 H new ATOM 562 N GLU A 16 -2.173 -4.407 10.007 1.00 0.00 N ATOM 563 CA GLU A 16 -3.390 -5.208 9.958 1.00 0.00 C ATOM 564 C GLU A 16 -4.629 -4.326 10.055 1.00 0.00 C ATOM 565 O GLU A 16 -4.811 -3.599 11.031 1.00 0.00 O ATOM 566 CB GLU A 16 -3.393 -6.236 11.091 1.00 0.00 C ATOM 567 CG GLU A 16 -4.362 -7.374 10.873 1.00 0.00 C ATOM 568 CD GLU A 16 -5.788 -7.003 11.231 1.00 0.00 C ATOM 569 OE1 GLU A 16 -6.122 -7.020 12.434 1.00 0.00 O1- ATOM 570 OE2 GLU A 16 -6.571 -6.698 10.306 1.00 0.00 O ATOM 0 H GLU A 16 -1.764 -4.319 10.937 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.413 -5.729 9.001 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.388 -6.642 11.204 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.641 -5.733 12.026 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.323 -7.685 9.829 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.052 -8.230 11.472 1.00 0.00 H new ATOM 577 N VAL A 17 -5.478 -4.396 9.035 1.00 0.00 N ATOM 578 CA VAL A 17 -6.701 -3.603 9.002 1.00 0.00 C ATOM 579 C VAL A 17 -7.852 -4.392 8.389 1.00 0.00 C ATOM 580 O VAL A 17 -7.719 -4.961 7.304 1.00 0.00 O ATOM 581 CB VAL A 17 -6.505 -2.301 8.203 1.00 0.00 C ATOM 582 CG1 VAL A 17 -5.685 -1.300 9.002 1.00 0.00 C ATOM 583 CG2 VAL A 17 -5.847 -2.589 6.862 1.00 0.00 C ATOM 0 H VAL A 17 -5.341 -4.994 8.220 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.944 -3.354 10.035 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.485 -1.864 8.014 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.558 -0.387 8.420 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.201 -1.068 9.933 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.707 -1.727 9.226 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.717 -1.657 6.313 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.874 -3.052 7.026 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.478 -3.265 6.285 1.00 0.00 H new ATOM 593 N GLU A 18 -8.982 -4.421 9.086 1.00 0.00 N ATOM 594 CA GLU A 18 -10.157 -5.138 8.607 1.00 0.00 C ATOM 595 C GLU A 18 -10.678 -4.521 7.311 1.00 0.00 C ATOM 596 O GLU A 18 -10.456 -3.341 7.045 1.00 0.00 O ATOM 597 CB GLU A 18 -11.257 -5.125 9.670 1.00 0.00 C ATOM 598 CG GLU A 18 -10.859 -5.809 10.967 1.00 0.00 C ATOM 599 CD GLU A 18 -11.964 -6.682 11.531 1.00 0.00 C ATOM 600 OE1 GLU A 18 -12.318 -7.686 10.878 1.00 0.00 O ATOM 601 OE2 GLU A 18 -12.475 -6.361 12.624 1.00 0.00 O1- ATOM 0 H GLU A 18 -9.109 -3.956 9.985 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.867 -6.170 8.408 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.532 -4.092 9.883 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.144 -5.615 9.268 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.972 -6.419 10.794 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.587 -5.053 11.703 1.00 0.00 H new ATOM 608 N PRO A 19 -11.379 -5.316 6.485 1.00 0.00 N ATOM 609 CA PRO A 19 -11.930 -4.837 5.212 1.00 0.00 C ATOM 610 C PRO A 19 -13.001 -3.771 5.408 1.00 0.00 C ATOM 611 O PRO A 19 -12.948 -2.704 4.796 1.00 0.00 O ATOM 612 CB PRO A 19 -12.538 -6.095 4.582 1.00 0.00 C ATOM 613 CG PRO A 19 -12.775 -7.023 5.724 1.00 0.00 C ATOM 614 CD PRO A 19 -11.690 -6.736 6.724 1.00 0.00 C ATOM 0 HA PRO A 19 -11.166 -4.365 4.595 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.467 -5.865 4.061 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.862 -6.536 3.849 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.761 -6.861 6.160 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -12.739 -8.062 5.396 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -12.028 -6.908 7.746 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.818 -7.371 6.566 1.00 0.00 H new ATOM 622 N SER A 20 -13.973 -4.065 6.264 1.00 0.00 N ATOM 623 CA SER A 20 -15.058 -3.131 6.539 1.00 0.00 C ATOM 624 C SER A 20 -14.520 -1.823 7.110 1.00 0.00 C ATOM 625 O SER A 20 -15.110 -0.760 6.916 1.00 0.00 O ATOM 626 CB SER A 20 -16.061 -3.753 7.514 1.00 0.00 C ATOM 627 OG SER A 20 -15.397 -4.389 8.591 1.00 0.00 O ATOM 0 H SER A 20 -14.032 -4.943 6.780 1.00 0.00 H new ATOM 0 HA SER A 20 -15.563 -2.914 5.598 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.727 -2.980 7.898 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.683 -4.477 6.988 1.00 0.00 H new ATOM 0 HG SER A 20 -16.059 -4.777 9.200 1.00 0.00 H new ATOM 633 N ASP A 21 -13.398 -1.908 7.817 1.00 0.00 N ATOM 634 CA ASP A 21 -12.781 -0.730 8.417 1.00 0.00 C ATOM 635 C ASP A 21 -12.445 0.310 7.354 1.00 0.00 C ATOM 636 O ASP A 21 -11.647 0.056 6.452 1.00 0.00 O ATOM 637 CB ASP A 21 -11.515 -1.125 9.181 1.00 0.00 C ATOM 638 CG ASP A 21 -11.781 -1.374 10.652 1.00 0.00 C ATOM 639 OD1 ASP A 21 -12.681 -0.713 11.213 1.00 0.00 O ATOM 640 OD2 ASP A 21 -11.089 -2.228 11.245 1.00 0.00 O1- ATOM 0 H ASP A 21 -12.897 -2.780 7.989 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.495 -0.292 9.114 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.090 -2.024 8.734 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.771 -0.335 9.078 1.00 0.00 H new ATOM 645 N THR A 22 -13.059 1.484 7.467 1.00 0.00 N ATOM 646 CA THR A 22 -12.824 2.564 6.516 1.00 0.00 C ATOM 647 C THR A 22 -11.354 2.972 6.509 1.00 0.00 C ATOM 648 O THR A 22 -10.532 2.382 7.210 1.00 0.00 O ATOM 649 CB THR A 22 -13.699 3.771 6.858 1.00 0.00 C ATOM 650 OG1 THR A 22 -13.349 4.302 8.124 1.00 0.00 O ATOM 651 CG2 THR A 22 -15.177 3.451 6.887 1.00 0.00 C ATOM 0 H THR A 22 -13.723 1.711 8.208 1.00 0.00 H new ATOM 0 HA THR A 22 -13.087 2.203 5.522 1.00 0.00 H new ATOM 0 HB THR A 22 -13.517 4.493 6.062 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.919 5.074 8.324 1.00 0.00 H new ATOM 0 HG21 THR A 22 -15.739 4.351 7.136 1.00 0.00 H new ATOM 0 HG22 THR A 22 -15.490 3.087 5.908 1.00 0.00 H new ATOM 0 HG23 THR A 22 -15.369 2.684 7.638 1.00 0.00 H new ATOM 659 N ILE A 23 -11.029 3.986 5.712 1.00 0.00 N ATOM 660 CA ILE A 23 -9.658 4.471 5.616 1.00 0.00 C ATOM 661 C ILE A 23 -9.199 5.084 6.935 1.00 0.00 C ATOM 662 O ILE A 23 -8.041 4.938 7.328 1.00 0.00 O ATOM 663 CB ILE A 23 -9.508 5.518 4.495 1.00 0.00 C ATOM 664 CG1 ILE A 23 -10.038 4.962 3.173 1.00 0.00 C ATOM 665 CG2 ILE A 23 -8.053 5.940 4.353 1.00 0.00 C ATOM 666 CD1 ILE A 23 -9.370 3.671 2.747 1.00 0.00 C ATOM 0 H ILE A 23 -11.696 4.486 5.125 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.033 3.609 5.382 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.096 6.397 4.760 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.111 4.793 3.264 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.897 5.709 2.392 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.965 6.680 3.557 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.707 6.373 5.291 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.444 5.070 4.109 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.796 3.336 1.801 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.300 3.838 2.624 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.533 2.909 3.509 1.00 0.00 H new ATOM 678 N GLU A 24 -10.112 5.771 7.613 1.00 0.00 N ATOM 679 CA GLU A 24 -9.800 6.409 8.887 1.00 0.00 C ATOM 680 C GLU A 24 -9.268 5.393 9.894 1.00 0.00 C ATOM 681 O GLU A 24 -8.308 5.664 10.612 1.00 0.00 O ATOM 682 CB GLU A 24 -11.038 7.105 9.451 1.00 0.00 C ATOM 683 CG GLU A 24 -10.715 8.232 10.420 1.00 0.00 C ATOM 684 CD GLU A 24 -10.225 9.482 9.716 1.00 0.00 C ATOM 685 OE1 GLU A 24 -9.518 9.351 8.694 1.00 0.00 O1- ATOM 686 OE2 GLU A 24 -10.548 10.593 10.185 1.00 0.00 O ATOM 0 H GLU A 24 -11.075 5.900 7.302 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.024 7.153 8.708 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.627 7.504 8.626 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.659 6.367 9.959 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.605 8.472 11.002 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.955 7.894 11.124 1.00 0.00 H new ATOM 693 N ASN A 25 -9.898 4.221 9.938 1.00 0.00 N ATOM 694 CA ASN A 25 -9.483 3.163 10.856 1.00 0.00 C ATOM 695 C ASN A 25 -8.082 2.672 10.507 1.00 0.00 C ATOM 696 O ASN A 25 -7.299 2.295 11.383 1.00 0.00 O ATOM 697 CB ASN A 25 -10.474 1.999 10.809 1.00 0.00 C ATOM 698 CG ASN A 25 -10.349 1.083 12.011 1.00 0.00 C ATOM 699 OD1 ASN A 25 -9.498 0.195 12.044 1.00 0.00 O ATOM 700 ND2 ASN A 25 -11.200 1.297 13.008 1.00 0.00 N ATOM 0 H ASN A 25 -10.696 3.980 9.350 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.468 3.571 11.867 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.489 2.392 10.759 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.310 1.423 9.898 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.164 0.713 13.844 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.890 2.045 12.938 1.00 0.00 H new ATOM 707 N VAL A 26 -7.772 2.691 9.220 1.00 0.00 N ATOM 708 CA VAL A 26 -6.467 2.260 8.736 1.00 0.00 C ATOM 709 C VAL A 26 -5.418 3.295 9.092 1.00 0.00 C ATOM 710 O VAL A 26 -4.441 2.992 9.778 1.00 0.00 O ATOM 711 CB VAL A 26 -6.492 2.032 7.218 1.00 0.00 C ATOM 712 CG1 VAL A 26 -5.301 1.194 6.776 1.00 0.00 C ATOM 713 CG2 VAL A 26 -7.802 1.368 6.828 1.00 0.00 C ATOM 0 H VAL A 26 -8.410 3.002 8.487 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.216 1.314 9.217 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.419 2.994 6.711 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.341 1.046 5.697 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.377 1.709 7.038 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.331 0.226 7.276 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.821 1.206 5.750 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.891 0.410 7.341 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.635 2.011 7.113 1.00 0.00 H new ATOM 723 N LYS A 27 -5.650 4.535 8.671 1.00 0.00 N ATOM 724 CA LYS A 27 -4.741 5.619 9.007 1.00 0.00 C ATOM 725 C LYS A 27 -4.672 5.734 10.524 1.00 0.00 C ATOM 726 O LYS A 27 -3.705 6.249 11.085 1.00 0.00 O ATOM 727 CB LYS A 27 -5.213 6.935 8.390 1.00 0.00 C ATOM 728 CG LYS A 27 -5.441 6.851 6.891 1.00 0.00 C ATOM 729 CD LYS A 27 -4.186 6.400 6.161 1.00 0.00 C ATOM 730 CE LYS A 27 -4.504 5.384 5.076 1.00 0.00 C ATOM 731 NZ LYS A 27 -4.514 3.991 5.601 1.00 0.00 N1+ ATOM 0 H LYS A 27 -6.451 4.810 8.103 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.751 5.406 8.604 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.140 7.243 8.874 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.474 7.709 8.595 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.254 6.155 6.684 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.752 7.825 6.514 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.692 7.264 5.717 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.486 5.964 6.874 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.476 5.613 4.638 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.767 5.465 4.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.308 3.467 5.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.620 3.521 5.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.621 4.011 6.635 1.00 0.00 H new ATOM 745 N ALA A 28 -5.710 5.212 11.174 1.00 0.00 N ATOM 746 CA ALA A 28 -5.801 5.198 12.619 1.00 0.00 C ATOM 747 C ALA A 28 -4.676 4.349 13.194 1.00 0.00 C ATOM 748 O ALA A 28 -3.832 4.836 13.946 1.00 0.00 O ATOM 749 CB ALA A 28 -7.155 4.644 13.030 1.00 0.00 C ATOM 0 H ALA A 28 -6.510 4.787 10.705 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.702 6.212 13.007 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.228 4.632 14.117 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.945 5.273 12.620 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.264 3.629 12.647 1.00 0.00 H new ATOM 755 N LYS A 29 -4.664 3.074 12.813 1.00 0.00 N ATOM 756 CA LYS A 29 -3.631 2.152 13.269 1.00 0.00 C ATOM 757 C LYS A 29 -2.258 2.648 12.830 1.00 0.00 C ATOM 758 O LYS A 29 -1.305 2.648 13.609 1.00 0.00 O ATOM 759 CB LYS A 29 -3.883 0.749 12.717 1.00 0.00 C ATOM 760 CG LYS A 29 -5.037 0.024 13.392 1.00 0.00 C ATOM 761 CD LYS A 29 -6.289 0.039 12.529 1.00 0.00 C ATOM 762 CE LYS A 29 -6.845 -1.361 12.324 1.00 0.00 C ATOM 763 NZ LYS A 29 -7.531 -1.871 13.543 1.00 0.00 N1+ ATOM 0 H LYS A 29 -5.357 2.658 12.191 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.662 2.107 14.358 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.085 0.820 11.648 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.976 0.155 12.831 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.749 -1.007 13.598 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.251 0.494 14.352 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.047 0.667 12.997 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.059 0.485 11.561 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.546 -1.354 11.489 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.034 -2.038 12.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.896 -2.828 13.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.856 -1.902 14.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.321 -1.240 13.786 1.00 0.00 H new ATOM 777 N ILE A 30 -2.171 3.085 11.575 1.00 0.00 N ATOM 778 CA ILE A 30 -0.922 3.600 11.029 1.00 0.00 C ATOM 779 C ILE A 30 -0.480 4.844 11.793 1.00 0.00 C ATOM 780 O ILE A 30 0.709 5.143 11.882 1.00 0.00 O ATOM 781 CB ILE A 30 -1.057 3.938 9.527 1.00 0.00 C ATOM 782 CG1 ILE A 30 -1.435 2.685 8.736 1.00 0.00 C ATOM 783 CG2 ILE A 30 0.240 4.534 8.993 1.00 0.00 C ATOM 784 CD1 ILE A 30 -1.890 2.975 7.322 1.00 0.00 C ATOM 0 H ILE A 30 -2.952 3.092 10.919 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.170 2.818 11.140 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.848 4.678 9.408 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.576 2.014 8.702 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.230 2.158 9.264 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.125 4.765 7.934 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.473 5.447 9.541 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.050 3.816 9.122 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.141 2.040 6.822 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.768 3.620 7.347 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.089 3.474 6.777 1.00 0.00 H new ATOM 796 N GLN A 31 -1.452 5.563 12.347 1.00 0.00 N ATOM 797 CA GLN A 31 -1.172 6.771 13.110 1.00 0.00 C ATOM 798 C GLN A 31 -0.583 6.420 14.472 1.00 0.00 C ATOM 799 O GLN A 31 0.327 7.089 14.958 1.00 0.00 O ATOM 800 CB GLN A 31 -2.452 7.594 13.285 1.00 0.00 C ATOM 801 CG GLN A 31 -2.265 8.841 14.136 1.00 0.00 C ATOM 802 CD GLN A 31 -3.582 9.482 14.526 1.00 0.00 C ATOM 803 OE1 GLN A 31 -4.644 9.096 14.037 1.00 0.00 O ATOM 804 NE2 GLN A 31 -3.520 10.470 15.412 1.00 0.00 N ATOM 0 H GLN A 31 -2.442 5.328 12.280 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.442 7.365 12.560 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.822 7.887 12.303 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.218 6.966 13.740 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.710 8.581 15.038 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -1.661 9.564 13.587 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.618 10.758 15.792 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.374 10.940 15.712 1.00 0.00 H new ATOM 813 N ASP A 32 -1.109 5.363 15.081 1.00 0.00 N ATOM 814 CA ASP A 32 -0.635 4.919 16.386 1.00 0.00 C ATOM 815 C ASP A 32 0.604 4.032 16.254 1.00 0.00 C ATOM 816 O ASP A 32 1.288 3.762 17.240 1.00 0.00 O ATOM 817 CB ASP A 32 -1.740 4.162 17.122 1.00 0.00 C ATOM 818 CG ASP A 32 -1.511 4.114 18.620 1.00 0.00 C ATOM 819 OD1 ASP A 32 -0.537 3.462 19.051 1.00 0.00 O1- ATOM 820 OD2 ASP A 32 -2.306 4.729 19.362 1.00 0.00 O ATOM 0 H ASP A 32 -1.864 4.798 14.692 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.362 5.804 16.960 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.699 4.638 16.919 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.800 3.145 16.734 1.00 0.00 H new ATOM 825 N LYS A 33 0.886 3.578 15.034 1.00 0.00 N ATOM 826 CA LYS A 33 2.040 2.719 14.788 1.00 0.00 C ATOM 827 C LYS A 33 3.215 3.517 14.229 1.00 0.00 C ATOM 828 O LYS A 33 4.374 3.162 14.442 1.00 0.00 O ATOM 829 CB LYS A 33 1.665 1.594 13.819 1.00 0.00 C ATOM 830 CG LYS A 33 1.392 0.266 14.506 1.00 0.00 C ATOM 831 CD LYS A 33 1.958 -0.898 13.715 1.00 0.00 C ATOM 832 CE LYS A 33 3.292 -1.360 14.278 1.00 0.00 C ATOM 833 NZ LYS A 33 4.442 -0.790 13.523 1.00 0.00 N1+ ATOM 0 H LYS A 33 0.333 3.790 14.204 1.00 0.00 H new ATOM 0 HA LYS A 33 2.345 2.287 15.741 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.780 1.891 13.256 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.472 1.462 13.099 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.829 0.275 15.504 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.317 0.134 14.630 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.250 -1.727 13.729 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.084 -0.604 12.673 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.365 -1.067 15.325 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.341 -2.448 14.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.333 -1.130 13.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.387 -1.090 12.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.410 0.248 13.574 1.00 0.00 H new ATOM 847 N GLU A 34 2.912 4.591 13.505 1.00 0.00 N ATOM 848 CA GLU A 34 3.951 5.427 12.911 1.00 0.00 C ATOM 849 C GLU A 34 3.933 6.836 13.498 1.00 0.00 C ATOM 850 O GLU A 34 4.981 7.455 13.678 1.00 0.00 O ATOM 851 CB GLU A 34 3.774 5.493 11.394 1.00 0.00 C ATOM 852 CG GLU A 34 4.177 4.213 10.678 1.00 0.00 C ATOM 853 CD GLU A 34 3.572 4.105 9.292 1.00 0.00 C ATOM 854 OE1 GLU A 34 3.610 5.107 8.547 1.00 0.00 O ATOM 855 OE2 GLU A 34 3.059 3.018 8.951 1.00 0.00 O1- ATOM 0 H GLU A 34 1.959 4.902 13.316 1.00 0.00 H new ATOM 0 HA GLU A 34 4.915 4.975 13.142 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.731 5.713 11.168 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.366 6.320 11.003 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.263 4.171 10.600 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.867 3.355 11.274 1.00 0.00 H new ATOM 862 N GLY A 35 2.739 7.340 13.789 1.00 0.00 N ATOM 863 CA GLY A 35 2.615 8.675 14.347 1.00 0.00 C ATOM 864 C GLY A 35 2.255 9.707 13.296 1.00 0.00 C ATOM 865 O GLY A 35 2.634 10.873 13.407 1.00 0.00 O ATOM 0 H GLY A 35 1.856 6.850 13.649 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.852 8.671 15.126 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.555 8.956 14.822 1.00 0.00 H new ATOM 869 N ILE A 36 1.525 9.275 12.274 1.00 0.00 N ATOM 870 CA ILE A 36 1.117 10.166 11.194 1.00 0.00 C ATOM 871 C ILE A 36 -0.404 10.322 11.154 1.00 0.00 C ATOM 872 O ILE A 36 -1.122 9.371 10.842 1.00 0.00 O ATOM 873 CB ILE A 36 1.604 9.645 9.829 1.00 0.00 C ATOM 874 CG1 ILE A 36 3.092 9.300 9.894 1.00 0.00 C ATOM 875 CG2 ILE A 36 1.339 10.676 8.742 1.00 0.00 C ATOM 876 CD1 ILE A 36 3.578 8.494 8.712 1.00 0.00 C ATOM 0 H ILE A 36 1.203 8.313 12.171 1.00 0.00 H new ATOM 0 HA ILE A 36 1.573 11.136 11.391 1.00 0.00 H new ATOM 0 HB ILE A 36 1.050 8.739 9.583 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.668 10.223 9.955 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.287 8.741 10.809 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.689 10.292 7.784 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.269 10.877 8.684 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.869 11.599 8.979 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.642 8.286 8.826 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.028 7.554 8.662 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.415 9.059 7.794 1.00 0.00 H new ATOM 888 N PRO A 37 -0.919 11.525 11.470 1.00 0.00 N ATOM 889 CA PRO A 37 -2.362 11.789 11.467 1.00 0.00 C ATOM 890 C PRO A 37 -3.025 11.380 10.152 1.00 0.00 C ATOM 891 O PRO A 37 -2.395 11.411 9.096 1.00 0.00 O ATOM 892 CB PRO A 37 -2.449 13.305 11.660 1.00 0.00 C ATOM 893 CG PRO A 37 -1.189 13.668 12.366 1.00 0.00 C ATOM 894 CD PRO A 37 -0.142 12.718 11.857 1.00 0.00 C ATOM 0 HA PRO A 37 -2.881 11.218 12.237 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.531 13.822 10.704 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.325 13.580 12.247 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.911 14.702 12.161 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.307 13.577 13.446 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.401 13.136 11.009 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.596 12.485 12.625 1.00 0.00 H new ATOM 902 N PRO A 38 -4.312 10.988 10.200 1.00 0.00 N ATOM 903 CA PRO A 38 -5.056 10.571 9.006 1.00 0.00 C ATOM 904 C PRO A 38 -5.093 11.655 7.934 1.00 0.00 C ATOM 905 O PRO A 38 -4.997 11.365 6.742 1.00 0.00 O ATOM 906 CB PRO A 38 -6.470 10.298 9.533 1.00 0.00 C ATOM 907 CG PRO A 38 -6.298 10.062 10.994 1.00 0.00 C ATOM 908 CD PRO A 38 -5.140 10.919 11.418 1.00 0.00 C ATOM 0 HA PRO A 38 -4.592 9.709 8.526 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.131 11.144 9.345 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.913 9.431 9.043 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.202 10.329 11.541 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.100 9.010 11.199 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.467 11.908 11.740 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.595 10.476 12.252 1.00 0.00 H new ATOM 916 N ASP A 39 -5.238 12.904 8.364 1.00 0.00 N ATOM 917 CA ASP A 39 -5.293 14.030 7.438 1.00 0.00 C ATOM 918 C ASP A 39 -3.892 14.452 7.003 1.00 0.00 C ATOM 919 O ASP A 39 -3.701 14.950 5.894 1.00 0.00 O ATOM 920 CB ASP A 39 -6.014 15.214 8.086 1.00 0.00 C ATOM 921 CG ASP A 39 -7.508 14.984 8.207 1.00 0.00 C ATOM 922 OD1 ASP A 39 -7.906 13.965 8.809 1.00 0.00 O1- ATOM 923 OD2 ASP A 39 -8.281 15.823 7.698 1.00 0.00 O ATOM 0 H ASP A 39 -5.320 13.162 9.347 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.846 13.712 6.554 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.595 15.393 9.076 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.834 16.113 7.496 1.00 0.00 H new ATOM 928 N GLN A 40 -2.917 14.250 7.882 1.00 0.00 N ATOM 929 CA GLN A 40 -1.536 14.612 7.587 1.00 0.00 C ATOM 930 C GLN A 40 -0.986 13.786 6.428 1.00 0.00 C ATOM 931 O GLN A 40 -0.106 14.238 5.695 1.00 0.00 O ATOM 932 CB GLN A 40 -0.660 14.415 8.827 1.00 0.00 C ATOM 933 CG GLN A 40 -0.634 15.621 9.752 1.00 0.00 C ATOM 934 CD GLN A 40 -0.216 16.892 9.042 1.00 0.00 C ATOM 935 OE1 GLN A 40 0.973 17.189 8.923 1.00 0.00 O ATOM 936 NE2 GLN A 40 -1.195 17.652 8.565 1.00 0.00 N ATOM 0 H GLN A 40 -3.057 13.838 8.804 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.519 15.663 7.298 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.021 13.549 9.383 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.358 14.189 8.510 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.623 15.761 10.188 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.053 15.427 10.576 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.167 17.367 8.686 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.975 18.520 8.077 1.00 0.00 H new ATOM 945 N GLN A 41 -1.504 12.572 6.270 1.00 0.00 N ATOM 946 CA GLN A 41 -1.058 11.686 5.202 1.00 0.00 C ATOM 947 C GLN A 41 -2.240 11.144 4.405 1.00 0.00 C ATOM 948 O GLN A 41 -3.364 11.082 4.904 1.00 0.00 O ATOM 949 CB GLN A 41 -0.249 10.524 5.785 1.00 0.00 C ATOM 950 CG GLN A 41 -1.071 9.591 6.659 1.00 0.00 C ATOM 951 CD GLN A 41 -0.309 8.343 7.059 1.00 0.00 C ATOM 952 OE1 GLN A 41 0.921 8.341 7.105 1.00 0.00 O ATOM 953 NE2 GLN A 41 -1.038 7.272 7.352 1.00 0.00 N ATOM 0 H GLN A 41 -2.232 12.180 6.867 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.427 12.264 4.527 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.190 9.951 4.968 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.577 10.925 6.372 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.385 10.123 7.557 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.977 9.303 6.125 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.056 7.318 7.301 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.580 6.403 7.628 1.00 0.00 H new ATOM 962 N ARG A 42 -1.976 10.745 3.164 1.00 0.00 N ATOM 963 CA ARG A 42 -3.013 10.200 2.296 1.00 0.00 C ATOM 964 C ARG A 42 -2.667 8.775 1.879 1.00 0.00 C ATOM 965 O ARG A 42 -1.663 8.218 2.322 1.00 0.00 O ATOM 966 CB ARG A 42 -3.190 11.080 1.057 1.00 0.00 C ATOM 967 CG ARG A 42 -3.290 12.564 1.373 1.00 0.00 C ATOM 968 CD ARG A 42 -1.985 13.288 1.085 1.00 0.00 C ATOM 969 NE ARG A 42 -2.193 14.708 0.816 1.00 0.00 N ATOM 970 CZ ARG A 42 -2.808 15.174 -0.269 1.00 0.00 C ATOM 971 NH1 ARG A 42 -3.274 14.337 -1.188 1.00 0.00 N1+ ATOM 972 NH2 ARG A 42 -2.957 16.481 -0.436 1.00 0.00 N ATOM 0 H ARG A 42 -1.051 10.789 2.737 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.950 10.184 2.852 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.349 10.917 0.383 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.090 10.769 0.526 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.091 13.009 0.783 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.556 12.696 2.422 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.313 13.175 1.936 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.495 12.825 0.228 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.847 15.382 1.499 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.162 13.331 -1.065 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.744 14.700 -2.017 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.601 17.129 0.267 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.428 16.839 -1.267 1.00 0.00 H new ATOM 986 N LEU A 43 -3.500 8.188 1.028 1.00 0.00 N ATOM 987 CA LEU A 43 -3.272 6.826 0.560 1.00 0.00 C ATOM 988 C LEU A 43 -3.930 6.588 -0.795 1.00 0.00 C ATOM 989 O LEU A 43 -5.057 7.019 -1.035 1.00 0.00 O ATOM 990 CB LEU A 43 -3.799 5.820 1.585 1.00 0.00 C ATOM 991 CG LEU A 43 -2.931 4.582 1.782 1.00 0.00 C ATOM 992 CD1 LEU A 43 -1.821 4.879 2.764 1.00 0.00 C ATOM 993 CD2 LEU A 43 -3.772 3.412 2.261 1.00 0.00 C ATOM 0 H LEU A 43 -4.337 8.632 0.649 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.197 6.687 0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.907 6.325 2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.795 5.501 1.279 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.486 4.310 0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.206 3.989 2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.204 5.692 2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.251 5.171 3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.135 2.538 2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.244 3.667 3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.541 3.190 1.521 1.00 0.00 H new ATOM 1005 N ILE A 44 -3.213 5.897 -1.677 1.00 0.00 N ATOM 1006 CA ILE A 44 -3.718 5.597 -3.011 1.00 0.00 C ATOM 1007 C ILE A 44 -3.534 4.119 -3.343 1.00 0.00 C ATOM 1008 O ILE A 44 -2.507 3.521 -3.017 1.00 0.00 O ATOM 1009 CB ILE A 44 -3.010 6.446 -4.086 1.00 0.00 C ATOM 1010 CG1 ILE A 44 -3.031 7.927 -3.700 1.00 0.00 C ATOM 1011 CG2 ILE A 44 -3.664 6.240 -5.445 1.00 0.00 C ATOM 1012 CD1 ILE A 44 -1.806 8.689 -4.154 1.00 0.00 C ATOM 0 H ILE A 44 -2.278 5.534 -1.490 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.780 5.840 -3.012 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.971 6.122 -4.151 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.918 8.393 -4.129 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.120 8.010 -2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.151 6.847 -6.191 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.598 5.189 -5.725 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.712 6.537 -5.393 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.891 9.731 -3.846 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.916 8.249 -3.704 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.727 8.637 -5.240 1.00 0.00 H new ATOM 1024 N PHE A 45 -4.537 3.535 -3.993 1.00 0.00 N ATOM 1025 CA PHE A 45 -4.488 2.128 -4.371 1.00 0.00 C ATOM 1026 C PHE A 45 -5.371 1.860 -5.585 1.00 0.00 C ATOM 1027 O PHE A 45 -6.498 2.347 -5.665 1.00 0.00 O ATOM 1028 CB PHE A 45 -4.931 1.248 -3.202 1.00 0.00 C ATOM 1029 CG PHE A 45 -4.552 -0.197 -3.362 1.00 0.00 C ATOM 1030 CD1 PHE A 45 -3.222 -0.583 -3.360 1.00 0.00 C ATOM 1031 CD2 PHE A 45 -5.527 -1.169 -3.516 1.00 0.00 C ATOM 1032 CE1 PHE A 45 -2.871 -1.911 -3.508 1.00 0.00 C ATOM 1033 CE2 PHE A 45 -5.183 -2.499 -3.665 1.00 0.00 C ATOM 1034 CZ PHE A 45 -3.852 -2.871 -3.660 1.00 0.00 C ATOM 0 H PHE A 45 -5.393 4.016 -4.268 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.458 1.884 -4.631 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.490 1.631 -2.282 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.013 1.322 -3.092 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.450 0.163 -3.241 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.569 -0.884 -3.520 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.830 -2.198 -3.505 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.953 -3.247 -3.785 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.580 -3.910 -3.775 1.00 0.00 H new ATOM 1044 N ALA A 46 -4.850 1.083 -6.530 1.00 0.00 N ATOM 1045 CA ALA A 46 -5.592 0.748 -7.741 1.00 0.00 C ATOM 1046 C ALA A 46 -6.007 2.006 -8.496 1.00 0.00 C ATOM 1047 O ALA A 46 -7.042 2.028 -9.164 1.00 0.00 O ATOM 1048 CB ALA A 46 -6.814 -0.090 -7.396 1.00 0.00 C ATOM 0 H ALA A 46 -3.917 0.674 -6.481 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.937 0.166 -8.390 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.358 -0.333 -8.309 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.497 -1.011 -6.907 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.463 0.473 -6.725 1.00 0.00 H new ATOM 1054 N GLY A 47 -5.196 3.052 -8.385 1.00 0.00 N ATOM 1055 CA GLY A 47 -5.498 4.300 -9.063 1.00 0.00 C ATOM 1056 C GLY A 47 -6.700 5.007 -8.468 1.00 0.00 C ATOM 1057 O GLY A 47 -7.399 5.745 -9.161 1.00 0.00 O ATOM 0 H GLY A 47 -4.335 3.059 -7.838 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.630 4.958 -9.010 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.683 4.101 -10.119 1.00 0.00 H new ATOM 1061 N LYS A 48 -6.942 4.778 -7.181 1.00 0.00 N ATOM 1062 CA LYS A 48 -8.069 5.398 -6.493 1.00 0.00 C ATOM 1063 C LYS A 48 -7.609 6.095 -5.216 1.00 0.00 C ATOM 1064 O LYS A 48 -6.717 5.611 -4.519 1.00 0.00 O ATOM 1065 CB LYS A 48 -9.130 4.349 -6.160 1.00 0.00 C ATOM 1066 CG LYS A 48 -9.701 3.652 -7.385 1.00 0.00 C ATOM 1067 CD LYS A 48 -10.421 2.367 -7.010 1.00 0.00 C ATOM 1068 CE LYS A 48 -10.719 1.517 -8.234 1.00 0.00 C ATOM 1069 NZ LYS A 48 -11.604 2.225 -9.199 1.00 0.00 N1+ ATOM 0 H LYS A 48 -6.373 4.168 -6.594 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.503 6.145 -7.158 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.695 3.602 -5.497 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.942 4.827 -5.612 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.392 4.322 -7.897 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.897 3.428 -8.086 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.810 1.797 -6.310 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.352 2.607 -6.497 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.784 1.250 -8.727 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.192 0.586 -7.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.866 1.577 -9.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.463 2.547 -8.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.102 3.046 -9.593 1.00 0.00 H new ATOM 1083 N GLN A 49 -8.224 7.235 -4.916 1.00 0.00 N ATOM 1084 CA GLN A 49 -7.877 7.999 -3.723 1.00 0.00 C ATOM 1085 C GLN A 49 -8.633 7.476 -2.504 1.00 0.00 C ATOM 1086 O GLN A 49 -9.857 7.575 -2.430 1.00 0.00 O ATOM 1087 CB GLN A 49 -8.188 9.481 -3.934 1.00 0.00 C ATOM 1088 CG GLN A 49 -7.012 10.278 -4.475 1.00 0.00 C ATOM 1089 CD GLN A 49 -6.173 10.898 -3.375 1.00 0.00 C ATOM 1090 OE1 GLN A 49 -5.002 10.557 -3.204 1.00 0.00 O ATOM 1091 NE2 GLN A 49 -6.770 11.815 -2.622 1.00 0.00 N ATOM 0 H GLN A 49 -8.964 7.650 -5.482 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.808 7.882 -3.543 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.027 9.573 -4.624 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.506 9.916 -2.986 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.384 9.626 -5.082 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.383 11.065 -5.132 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.742 12.067 -2.800 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.256 12.268 -1.866 1.00 0.00 H new ATOM 1100 N LEU A 50 -7.893 6.920 -1.550 1.00 0.00 N ATOM 1101 CA LEU A 50 -8.491 6.383 -0.334 1.00 0.00 C ATOM 1102 C LEU A 50 -8.939 7.508 0.594 1.00 0.00 C ATOM 1103 O LEU A 50 -8.196 7.928 1.481 1.00 0.00 O ATOM 1104 CB LEU A 50 -7.494 5.475 0.392 1.00 0.00 C ATOM 1105 CG LEU A 50 -7.520 4.008 -0.039 1.00 0.00 C ATOM 1106 CD1 LEU A 50 -7.281 3.880 -1.535 1.00 0.00 C ATOM 1107 CD2 LEU A 50 -6.492 3.208 0.738 1.00 0.00 C ATOM 0 H LEU A 50 -6.878 6.830 -1.596 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.366 5.798 -0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.489 5.866 0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.692 5.527 1.463 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.508 3.605 0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.304 2.828 -1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.060 4.418 -2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.308 4.302 -1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.524 2.166 0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.498 3.614 0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.714 3.268 1.803 1.00 0.00 H new ATOM 1119 N GLU A 51 -10.159 7.992 0.384 1.00 0.00 N ATOM 1120 CA GLU A 51 -10.706 9.067 1.203 1.00 0.00 C ATOM 1121 C GLU A 51 -11.059 8.565 2.599 1.00 0.00 C ATOM 1122 O GLU A 51 -11.294 7.373 2.798 1.00 0.00 O ATOM 1123 CB GLU A 51 -11.946 9.665 0.536 1.00 0.00 C ATOM 1124 CG GLU A 51 -11.713 10.102 -0.901 1.00 0.00 C ATOM 1125 CD GLU A 51 -12.405 11.411 -1.232 1.00 0.00 C ATOM 1126 OE1 GLU A 51 -12.407 12.314 -0.369 1.00 0.00 O1- ATOM 1127 OE2 GLU A 51 -12.942 11.531 -2.352 1.00 0.00 O ATOM 0 H GLU A 51 -10.787 7.657 -0.346 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.943 9.840 1.297 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.750 8.929 0.557 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.283 10.523 1.118 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.642 10.207 -1.076 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.072 9.325 -1.576 1.00 0.00 H new ATOM 1134 N ASP A 52 -11.092 9.480 3.562 1.00 0.00 N ATOM 1135 CA ASP A 52 -11.416 9.129 4.940 1.00 0.00 C ATOM 1136 C ASP A 52 -12.878 8.711 5.065 1.00 0.00 C ATOM 1137 O ASP A 52 -13.697 9.438 5.627 1.00 0.00 O ATOM 1138 CB ASP A 52 -11.127 10.308 5.871 1.00 0.00 C ATOM 1139 CG ASP A 52 -11.765 11.596 5.387 1.00 0.00 C ATOM 1140 OD1 ASP A 52 -11.245 12.187 4.417 1.00 0.00 O1- ATOM 1141 OD2 ASP A 52 -12.783 12.013 5.978 1.00 0.00 O ATOM 0 H ASP A 52 -10.898 10.470 3.414 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.790 8.285 5.231 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.495 10.077 6.871 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.049 10.448 5.952 1.00 0.00 H new ATOM 1146 N GLY A 53 -13.198 7.534 4.535 1.00 0.00 N ATOM 1147 CA GLY A 53 -14.560 7.039 4.597 1.00 0.00 C ATOM 1148 C GLY A 53 -14.862 6.039 3.498 1.00 0.00 C ATOM 1149 O GLY A 53 -15.925 6.091 2.877 1.00 0.00 O ATOM 0 H GLY A 53 -12.538 6.915 4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.730 6.571 5.567 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.252 7.878 4.522 1.00 0.00 H new ATOM 1153 N ARG A 54 -13.926 5.127 3.256 1.00 0.00 N ATOM 1154 CA ARG A 54 -14.097 4.111 2.224 1.00 0.00 C ATOM 1155 C ARG A 54 -13.606 2.753 2.713 1.00 0.00 C ATOM 1156 O ARG A 54 -12.590 2.660 3.401 1.00 0.00 O ATOM 1157 CB ARG A 54 -13.345 4.512 0.954 1.00 0.00 C ATOM 1158 CG ARG A 54 -13.971 5.689 0.222 1.00 0.00 C ATOM 1159 CD ARG A 54 -14.164 5.390 -1.256 1.00 0.00 C ATOM 1160 NE ARG A 54 -13.909 6.562 -2.090 1.00 0.00 N ATOM 1161 CZ ARG A 54 -14.206 6.629 -3.386 1.00 0.00 C ATOM 1162 NH1 ARG A 54 -14.765 5.594 -4.000 1.00 0.00 N1+ ATOM 1163 NH2 ARG A 54 -13.941 7.734 -4.070 1.00 0.00 N ATOM 0 H ARG A 54 -13.041 5.071 3.761 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.160 4.033 1.998 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.317 4.762 1.214 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.304 3.656 0.280 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.933 5.929 0.674 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.337 6.568 0.336 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.495 4.582 -1.553 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.182 5.040 -1.425 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.478 7.377 -1.654 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.969 4.741 -3.479 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -14.990 5.651 -4.993 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.510 8.532 -3.603 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -14.168 7.786 -5.063 1.00 0.00 H new ATOM 1177 N THR A 55 -14.336 1.701 2.353 1.00 0.00 N ATOM 1178 CA THR A 55 -13.976 0.347 2.757 1.00 0.00 C ATOM 1179 C THR A 55 -12.831 -0.192 1.905 1.00 0.00 C ATOM 1180 O THR A 55 -12.631 0.239 0.769 1.00 0.00 O ATOM 1181 CB THR A 55 -15.188 -0.578 2.648 1.00 0.00 C ATOM 1182 OG1 THR A 55 -15.941 -0.283 1.484 1.00 0.00 O ATOM 1183 CG2 THR A 55 -16.121 -0.484 3.835 1.00 0.00 C ATOM 0 H THR A 55 -15.180 1.761 1.783 1.00 0.00 H new ATOM 0 HA THR A 55 -13.645 0.381 3.795 1.00 0.00 H new ATOM 0 HB THR A 55 -14.779 -1.587 2.608 1.00 0.00 H new ATOM 0 HG1 THR A 55 -16.008 -1.086 0.926 1.00 0.00 H new ATOM 0 HG21 THR A 55 -16.960 -1.166 3.694 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.583 -0.755 4.743 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.494 0.536 3.925 1.00 0.00 H new ATOM 1191 N LEU A 56 -12.083 -1.138 2.463 1.00 0.00 N ATOM 1192 CA LEU A 56 -10.957 -1.740 1.759 1.00 0.00 C ATOM 1193 C LEU A 56 -11.435 -2.652 0.635 1.00 0.00 C ATOM 1194 O LEU A 56 -10.922 -2.596 -0.482 1.00 0.00 O ATOM 1195 CB LEU A 56 -10.088 -2.526 2.730 1.00 0.00 C ATOM 1196 CG LEU A 56 -9.673 -1.778 3.997 1.00 0.00 C ATOM 1197 CD1 LEU A 56 -8.286 -2.195 4.408 1.00 0.00 C ATOM 1198 CD2 LEU A 56 -9.675 -0.285 3.781 1.00 0.00 C ATOM 0 H LEU A 56 -12.237 -1.505 3.402 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.367 -0.936 1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.625 -3.429 3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.187 -2.846 2.207 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.395 -2.027 4.775 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.997 -1.658 5.311 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.271 -3.267 4.603 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.584 -1.962 3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.375 0.216 4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.975 -0.032 2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.677 0.041 3.500 1.00 0.00 H new ATOM 1210 N SER A 57 -12.417 -3.493 0.941 1.00 0.00 N ATOM 1211 CA SER A 57 -12.967 -4.421 -0.044 1.00 0.00 C ATOM 1212 C SER A 57 -13.381 -3.690 -1.318 1.00 0.00 C ATOM 1213 O SER A 57 -13.409 -4.278 -2.400 1.00 0.00 O ATOM 1214 CB SER A 57 -14.166 -5.168 0.545 1.00 0.00 C ATOM 1215 OG SER A 57 -14.685 -6.108 -0.379 1.00 0.00 O ATOM 0 H SER A 57 -12.849 -3.552 1.863 1.00 0.00 H new ATOM 0 HA SER A 57 -12.189 -5.140 -0.301 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.866 -5.680 1.459 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.944 -4.455 0.819 1.00 0.00 H new ATOM 0 HG SER A 57 -15.449 -6.573 0.022 1.00 0.00 H new ATOM 1221 N ASP A 58 -13.698 -2.407 -1.184 1.00 0.00 N ATOM 1222 CA ASP A 58 -14.107 -1.598 -2.326 1.00 0.00 C ATOM 1223 C ASP A 58 -12.898 -1.189 -3.162 1.00 0.00 C ATOM 1224 O ASP A 58 -13.000 -1.022 -4.377 1.00 0.00 O ATOM 1225 CB ASP A 58 -14.859 -0.353 -1.853 1.00 0.00 C ATOM 1226 CG ASP A 58 -16.347 -0.601 -1.694 1.00 0.00 C ATOM 1227 OD1 ASP A 58 -16.716 -1.667 -1.158 1.00 0.00 O1- ATOM 1228 OD2 ASP A 58 -17.142 0.272 -2.104 1.00 0.00 O ATOM 0 H ASP A 58 -13.680 -1.905 -0.296 1.00 0.00 H new ATOM 0 HA ASP A 58 -14.770 -2.200 -2.947 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.445 -0.022 -0.901 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.703 0.456 -2.567 1.00 0.00 H new ATOM 1233 N TYR A 59 -11.755 -1.029 -2.502 1.00 0.00 N ATOM 1234 CA TYR A 59 -10.526 -0.639 -3.185 1.00 0.00 C ATOM 1235 C TYR A 59 -9.719 -1.862 -3.621 1.00 0.00 C ATOM 1236 O TYR A 59 -8.579 -1.733 -4.069 1.00 0.00 O ATOM 1237 CB TYR A 59 -9.675 0.249 -2.277 1.00 0.00 C ATOM 1238 CG TYR A 59 -10.162 1.678 -2.196 1.00 0.00 C ATOM 1239 CD1 TYR A 59 -10.483 2.388 -3.347 1.00 0.00 C ATOM 1240 CD2 TYR A 59 -10.300 2.316 -0.971 1.00 0.00 C ATOM 1241 CE1 TYR A 59 -10.928 3.695 -3.277 1.00 0.00 C ATOM 1242 CE2 TYR A 59 -10.745 3.622 -0.893 1.00 0.00 C ATOM 1243 CZ TYR A 59 -11.057 4.307 -2.048 1.00 0.00 C ATOM 1244 OH TYR A 59 -11.500 5.607 -1.975 1.00 0.00 O ATOM 0 H TYR A 59 -11.654 -1.163 -1.496 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.805 -0.080 -4.078 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.662 -0.178 -1.274 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.647 0.245 -2.639 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.383 1.911 -4.311 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.056 1.783 -0.064 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -11.173 4.234 -4.180 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.848 4.104 0.068 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.884 6.190 -2.466 1.00 0.00 H new ATOM 1254 N ASN A 60 -10.312 -3.047 -3.490 1.00 0.00 N ATOM 1255 CA ASN A 60 -9.641 -4.283 -3.873 1.00 0.00 C ATOM 1256 C ASN A 60 -8.338 -4.465 -3.100 1.00 0.00 C ATOM 1257 O ASN A 60 -7.360 -4.991 -3.631 1.00 0.00 O ATOM 1258 CB ASN A 60 -9.360 -4.289 -5.377 1.00 0.00 C ATOM 1259 CG ASN A 60 -10.626 -4.171 -6.203 1.00 0.00 C ATOM 1260 OD1 ASN A 60 -11.516 -5.016 -6.118 1.00 0.00 O ATOM 1261 ND2 ASN A 60 -10.711 -3.119 -7.008 1.00 0.00 N ATOM 0 H ASN A 60 -11.255 -3.175 -3.122 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.303 -5.114 -3.628 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.692 -3.464 -5.622 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.841 -5.210 -5.643 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.539 -2.987 -7.588 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.948 -2.443 -7.046 1.00 0.00 H new ATOM 1268 N ILE A 61 -8.332 -4.030 -1.845 1.00 0.00 N ATOM 1269 CA ILE A 61 -7.147 -4.150 -1.003 1.00 0.00 C ATOM 1270 C ILE A 61 -7.087 -5.519 -0.333 1.00 0.00 C ATOM 1271 O ILE A 61 -7.738 -5.752 0.686 1.00 0.00 O ATOM 1272 CB ILE A 61 -7.110 -3.058 0.084 1.00 0.00 C ATOM 1273 CG1 ILE A 61 -7.331 -1.678 -0.537 1.00 0.00 C ATOM 1274 CG2 ILE A 61 -5.787 -3.103 0.835 1.00 0.00 C ATOM 1275 CD1 ILE A 61 -7.310 -0.548 0.472 1.00 0.00 C ATOM 0 H ILE A 61 -9.132 -3.592 -1.389 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.284 -4.027 -1.657 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.915 -3.247 0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.560 -1.499 -1.287 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.289 -1.672 -1.057 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.776 -2.326 1.599 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.670 -4.078 1.307 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.967 -2.937 0.137 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.473 0.400 -0.040 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.099 -0.703 1.208 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.343 -0.527 0.975 1.00 0.00 H new ATOM 1287 N GLN A 62 -6.302 -6.422 -0.912 1.00 0.00 N ATOM 1288 CA GLN A 62 -6.157 -7.769 -0.370 1.00 0.00 C ATOM 1289 C GLN A 62 -5.167 -7.781 0.792 1.00 0.00 C ATOM 1290 O GLN A 62 -4.797 -6.729 1.314 1.00 0.00 O ATOM 1291 CB GLN A 62 -5.693 -8.733 -1.464 1.00 0.00 C ATOM 1292 CG GLN A 62 -6.449 -8.577 -2.772 1.00 0.00 C ATOM 1293 CD GLN A 62 -6.577 -9.882 -3.532 1.00 0.00 C ATOM 1294 OE1 GLN A 62 -6.219 -9.969 -4.707 1.00 0.00 O ATOM 1295 NE2 GLN A 62 -7.091 -10.908 -2.863 1.00 0.00 N ATOM 0 H GLN A 62 -5.757 -6.246 -1.756 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.129 -8.094 0.001 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.630 -8.577 -1.647 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.808 -9.757 -1.107 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.444 -8.181 -2.567 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.938 -7.845 -3.398 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.375 -10.792 -1.890 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.202 -11.812 -3.322 1.00 0.00 H new ATOM 1304 N LYS A 63 -4.740 -8.974 1.191 1.00 0.00 N ATOM 1305 CA LYS A 63 -3.793 -9.117 2.290 1.00 0.00 C ATOM 1306 C LYS A 63 -2.364 -8.877 1.812 1.00 0.00 C ATOM 1307 O LYS A 63 -2.000 -9.247 0.696 1.00 0.00 O ATOM 1308 CB LYS A 63 -3.914 -10.507 2.924 1.00 0.00 C ATOM 1309 CG LYS A 63 -3.334 -11.625 2.070 1.00 0.00 C ATOM 1310 CD LYS A 63 -4.206 -12.865 2.105 1.00 0.00 C ATOM 1311 CE LYS A 63 -5.283 -12.822 1.034 1.00 0.00 C ATOM 1312 NZ LYS A 63 -6.532 -12.179 1.527 1.00 0.00 N1+ ATOM 0 H LYS A 63 -5.034 -9.855 0.770 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.033 -8.366 3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.408 -10.501 3.890 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.966 -10.718 3.116 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.231 -11.281 1.041 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.334 -11.873 2.425 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.586 -13.750 1.963 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.671 -12.956 3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.911 -12.275 0.167 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.504 -13.836 0.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.320 -12.419 0.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.744 -12.522 2.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.406 -11.147 1.548 1.00 0.00 H new ATOM 1326 N GLU A 64 -1.558 -8.254 2.666 1.00 0.00 N ATOM 1327 CA GLU A 64 -0.167 -7.961 2.335 1.00 0.00 C ATOM 1328 C GLU A 64 -0.070 -7.129 1.060 1.00 0.00 C ATOM 1329 O GLU A 64 0.935 -7.180 0.351 1.00 0.00 O ATOM 1330 CB GLU A 64 0.626 -9.258 2.174 1.00 0.00 C ATOM 1331 CG GLU A 64 1.024 -9.896 3.494 1.00 0.00 C ATOM 1332 CD GLU A 64 1.889 -11.129 3.309 1.00 0.00 C ATOM 1333 OE1 GLU A 64 2.741 -11.123 2.396 1.00 0.00 O1- ATOM 1334 OE2 GLU A 64 1.713 -12.097 4.076 1.00 0.00 O ATOM 0 H GLU A 64 -1.844 -7.942 3.594 1.00 0.00 H new ATOM 0 HA GLU A 64 0.259 -7.383 3.155 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.031 -9.969 1.601 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.525 -9.054 1.593 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.563 -9.166 4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.125 -10.167 4.048 1.00 0.00 H new ATOM 1341 N SER A 65 -1.118 -6.361 0.774 1.00 0.00 N ATOM 1342 CA SER A 65 -1.143 -5.519 -0.416 1.00 0.00 C ATOM 1343 C SER A 65 -0.158 -4.364 -0.279 1.00 0.00 C ATOM 1344 O SER A 65 0.564 -4.266 0.714 1.00 0.00 O ATOM 1345 CB SER A 65 -2.554 -4.976 -0.653 1.00 0.00 C ATOM 1346 OG SER A 65 -3.451 -6.017 -1.003 1.00 0.00 O ATOM 0 H SER A 65 -1.959 -6.305 1.349 1.00 0.00 H new ATOM 0 HA SER A 65 -0.849 -6.128 -1.271 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.909 -4.473 0.247 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.531 -4.230 -1.447 1.00 0.00 H new ATOM 0 HG SER A 65 -3.707 -5.925 -1.945 1.00 0.00 H new ATOM 1352 N THR A 66 -0.130 -3.492 -1.281 1.00 0.00 N ATOM 1353 CA THR A 66 0.769 -2.345 -1.266 1.00 0.00 C ATOM 1354 C THR A 66 -0.009 -1.039 -1.378 1.00 0.00 C ATOM 1355 O THR A 66 -0.413 -0.635 -2.469 1.00 0.00 O ATOM 1356 CB THR A 66 1.792 -2.451 -2.399 1.00 0.00 C ATOM 1357 OG1 THR A 66 1.454 -3.502 -3.287 1.00 0.00 O ATOM 1358 CG2 THR A 66 3.199 -2.701 -1.906 1.00 0.00 C ATOM 0 H THR A 66 -0.718 -3.558 -2.112 1.00 0.00 H new ATOM 0 HA THR A 66 1.299 -2.346 -0.314 1.00 0.00 H new ATOM 0 HB THR A 66 1.765 -1.486 -2.905 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.120 -3.551 -4.004 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.877 -2.766 -2.757 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.508 -1.881 -1.258 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.228 -3.636 -1.347 1.00 0.00 H new ATOM 1366 N LEU A 67 -0.212 -0.382 -0.241 1.00 0.00 N ATOM 1367 CA LEU A 67 -0.939 0.881 -0.206 1.00 0.00 C ATOM 1368 C LEU A 67 0.025 2.059 -0.311 1.00 0.00 C ATOM 1369 O LEU A 67 0.904 2.232 0.534 1.00 0.00 O ATOM 1370 CB LEU A 67 -1.764 0.980 1.081 1.00 0.00 C ATOM 1371 CG LEU A 67 -3.054 0.161 1.083 1.00 0.00 C ATOM 1372 CD1 LEU A 67 -3.856 0.416 2.349 1.00 0.00 C ATOM 1373 CD2 LEU A 67 -3.887 0.468 -0.152 1.00 0.00 C ATOM 0 H LEU A 67 0.117 -0.704 0.669 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.616 0.915 -1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.145 0.657 1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.015 2.026 1.255 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.785 -0.895 1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.770 -0.178 2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.262 0.136 3.219 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.113 1.474 2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.801 -0.125 -0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.143 1.528 -0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.315 0.222 -1.047 1.00 0.00 H new ATOM 1385 N HIS A 68 -0.135 2.859 -1.362 1.00 0.00 N ATOM 1386 CA HIS A 68 0.730 4.013 -1.585 1.00 0.00 C ATOM 1387 C HIS A 68 0.354 5.172 -0.667 1.00 0.00 C ATOM 1388 O HIS A 68 -0.650 5.847 -0.883 1.00 0.00 O ATOM 1389 CB HIS A 68 0.649 4.460 -3.046 1.00 0.00 C ATOM 1390 CG HIS A 68 1.009 3.383 -4.022 1.00 0.00 C ATOM 1391 ND1 HIS A 68 0.078 2.536 -4.585 1.00 0.00 N ATOM 1392 CD2 HIS A 68 2.208 3.019 -4.536 1.00 0.00 C ATOM 1393 CE1 HIS A 68 0.688 1.696 -5.402 1.00 0.00 C ATOM 1394 NE2 HIS A 68 1.979 1.968 -5.390 1.00 0.00 N ATOM 0 H HIS A 68 -0.856 2.729 -2.072 1.00 0.00 H new ATOM 0 HA HIS A 68 1.753 3.714 -1.355 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.363 4.806 -3.256 1.00 0.00 H new ATOM 0 HB3 HIS A 68 1.314 5.311 -3.195 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -0.925 2.555 -4.400 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.164 3.470 -4.316 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.211 0.919 -5.981 1.00 0.00 H new ATOM 1403 N LEU A 69 1.174 5.403 0.354 1.00 0.00 N ATOM 1404 CA LEU A 69 0.930 6.485 1.299 1.00 0.00 C ATOM 1405 C LEU A 69 1.575 7.782 0.820 1.00 0.00 C ATOM 1406 O LEU A 69 2.636 7.765 0.196 1.00 0.00 O ATOM 1407 CB LEU A 69 1.472 6.119 2.682 1.00 0.00 C ATOM 1408 CG LEU A 69 0.919 6.950 3.835 1.00 0.00 C ATOM 1409 CD1 LEU A 69 0.910 6.145 5.128 1.00 0.00 C ATOM 1410 CD2 LEU A 69 1.741 8.206 3.997 1.00 0.00 C ATOM 0 H LEU A 69 2.012 4.855 0.547 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.148 6.635 1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.253 5.069 2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.557 6.222 2.669 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.110 7.226 3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.511 6.759 5.936 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.285 5.261 5.002 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.927 5.839 5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.343 8.797 4.822 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.776 7.939 4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.698 8.790 3.078 1.00 0.00 H new ATOM 1422 N VAL A 70 0.932 8.903 1.122 1.00 0.00 N ATOM 1423 CA VAL A 70 1.444 10.210 0.728 1.00 0.00 C ATOM 1424 C VAL A 70 1.620 11.116 1.942 1.00 0.00 C ATOM 1425 O VAL A 70 0.677 11.776 2.378 1.00 0.00 O ATOM 1426 CB VAL A 70 0.509 10.900 -0.282 1.00 0.00 C ATOM 1427 CG1 VAL A 70 1.154 12.164 -0.831 1.00 0.00 C ATOM 1428 CG2 VAL A 70 0.142 9.947 -1.409 1.00 0.00 C ATOM 0 H VAL A 70 0.053 8.933 1.639 1.00 0.00 H new ATOM 0 HA VAL A 70 2.412 10.043 0.257 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.408 11.183 0.235 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.478 12.638 -1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.359 12.853 -0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.088 11.908 -1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.519 10.453 -2.112 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.047 9.629 -1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.366 9.075 -0.997 1.00 0.00 H new ATOM 1438 N LEU A 71 2.834 11.144 2.483 1.00 0.00 N ATOM 1439 CA LEU A 71 3.132 11.971 3.648 1.00 0.00 C ATOM 1440 C LEU A 71 3.105 13.452 3.284 1.00 0.00 C ATOM 1441 O LEU A 71 3.953 13.932 2.532 1.00 0.00 O ATOM 1442 CB LEU A 71 4.498 11.594 4.230 1.00 0.00 C ATOM 1443 CG LEU A 71 4.465 11.047 5.659 1.00 0.00 C ATOM 1444 CD1 LEU A 71 3.732 12.008 6.582 1.00 0.00 C ATOM 1445 CD2 LEU A 71 3.811 9.674 5.688 1.00 0.00 C ATOM 0 H LEU A 71 3.626 10.605 2.134 1.00 0.00 H new ATOM 0 HA LEU A 71 2.365 11.790 4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.958 10.848 3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.140 12.474 4.209 1.00 0.00 H new ATOM 0 HG LEU A 71 5.491 10.947 6.014 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.719 11.602 7.594 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.242 12.971 6.584 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.709 12.141 6.231 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.796 9.300 6.712 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.790 9.749 5.314 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.378 8.988 5.059 1.00 0.00 H new ATOM 1457 N ARG A 72 2.126 14.171 3.824 1.00 0.00 N ATOM 1458 CA ARG A 72 1.989 15.598 3.556 1.00 0.00 C ATOM 1459 C ARG A 72 2.857 16.416 4.507 1.00 0.00 C ATOM 1460 O ARG A 72 3.056 16.038 5.662 1.00 0.00 O ATOM 1461 CB ARG A 72 0.526 16.024 3.687 1.00 0.00 C ATOM 1462 CG ARG A 72 0.112 17.094 2.690 1.00 0.00 C ATOM 1463 CD ARG A 72 -0.934 18.027 3.275 1.00 0.00 C ATOM 1464 NE ARG A 72 -1.195 19.172 2.406 1.00 0.00 N ATOM 1465 CZ ARG A 72 -2.130 20.088 2.646 1.00 0.00 C ATOM 1466 NH1 ARG A 72 -2.895 19.997 3.727 1.00 0.00 N1+ ATOM 1467 NH2 ARG A 72 -2.301 21.098 1.803 1.00 0.00 N ATOM 0 H ARG A 72 1.416 13.789 4.449 1.00 0.00 H new ATOM 0 HA ARG A 72 2.324 15.785 2.536 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.111 15.150 3.555 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.353 16.394 4.697 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.987 17.670 2.389 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.283 16.621 1.791 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.861 17.476 3.437 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.599 18.381 4.250 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.627 19.275 1.565 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.768 19.222 4.378 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.610 20.702 3.906 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.716 21.172 0.971 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.018 21.800 1.987 1.00 0.00 H new ATOM 1481 N LEU A 73 3.371 17.537 4.013 1.00 0.00 N ATOM 1482 CA LEU A 73 4.217 18.410 4.819 1.00 0.00 C ATOM 1483 C LEU A 73 3.386 19.187 5.834 1.00 0.00 C ATOM 1484 O LEU A 73 2.168 19.298 5.700 1.00 0.00 O ATOM 1485 CB LEU A 73 4.986 19.381 3.921 1.00 0.00 C ATOM 1486 CG LEU A 73 6.393 19.735 4.406 1.00 0.00 C ATOM 1487 CD1 LEU A 73 7.287 18.506 4.395 1.00 0.00 C ATOM 1488 CD2 LEU A 73 6.989 20.839 3.545 1.00 0.00 C ATOM 0 H LEU A 73 3.217 17.863 3.059 1.00 0.00 H new ATOM 0 HA LEU A 73 4.928 17.786 5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.060 18.948 2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.408 20.301 3.827 1.00 0.00 H new ATOM 0 HG LEU A 73 6.324 20.097 5.432 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.284 18.778 4.743 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.868 17.745 5.053 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.352 18.112 3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.990 21.079 3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.045 20.503 2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.360 21.727 3.605 1.00 0.00 H new ATOM 1500 N ARG A 74 4.054 19.723 6.851 1.00 0.00 N ATOM 1501 CA ARG A 74 3.377 20.491 7.890 1.00 0.00 C ATOM 1502 C ARG A 74 3.443 21.985 7.593 1.00 0.00 C ATOM 1503 O ARG A 74 4.016 22.404 6.587 1.00 0.00 O ATOM 1504 CB ARG A 74 4.002 20.203 9.255 1.00 0.00 C ATOM 1505 CG ARG A 74 3.651 18.831 9.809 1.00 0.00 C ATOM 1506 CD ARG A 74 3.782 18.790 11.323 1.00 0.00 C ATOM 1507 NE ARG A 74 3.602 17.441 11.851 1.00 0.00 N ATOM 1508 CZ ARG A 74 4.535 16.492 11.799 1.00 0.00 C ATOM 1509 NH1 ARG A 74 5.714 16.742 11.242 1.00 0.00 N1+ ATOM 1510 NH2 ARG A 74 4.289 15.292 12.305 1.00 0.00 N ATOM 0 H ARG A 74 5.063 19.640 6.978 1.00 0.00 H new ATOM 0 HA ARG A 74 2.330 20.188 7.906 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.086 20.286 9.174 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.676 20.965 9.963 1.00 0.00 H new ATOM 0 HG2 ARG A 74 2.631 18.573 9.524 1.00 0.00 H new ATOM 0 HG3 ARG A 74 4.306 18.080 9.366 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.764 19.165 11.612 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.043 19.456 11.769 1.00 0.00 H new ATOM 0 HE ARG A 74 2.708 17.211 12.286 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.908 17.664 10.852 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.425 16.012 11.205 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.385 15.095 12.734 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.004 14.565 12.265 1.00 0.00 H new ATOM 1524 N GLY A 75 2.850 22.785 8.474 1.00 0.00 N ATOM 1525 CA GLY A 75 2.853 24.223 8.288 1.00 0.00 C ATOM 1526 C GLY A 75 1.706 24.699 7.419 1.00 0.00 C ATOM 1527 O GLY A 75 0.614 24.975 7.917 1.00 0.00 O ATOM 0 H GLY A 75 2.368 22.462 9.313 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.795 24.712 9.260 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.797 24.525 7.835 1.00 0.00 H new ATOM 1531 N GLY A 76 1.952 24.793 6.116 1.00 0.00 N ATOM 1532 CA GLY A 76 0.922 25.237 5.196 1.00 0.00 C ATOM 1533 C GLY A 76 1.068 24.622 3.819 1.00 0.00 C ATOM 1534 O GLY A 76 2.213 24.320 3.422 1.00 0.00 O ATOM 1535 OXT GLY A 76 0.037 24.439 3.138 1.00 0.00 O ATOM 0 H GLY A 76 2.847 24.569 5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.057 24.982 5.602 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.959 26.323 5.111 1.00 0.00 H new TER 1539 GLY A 76