USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 699 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 59 GLN : amide:sc= -1.99! K(o=-4!,f=0.34) USER MOD Set 1.2: A 60 GLN : amide:sc= -2.06! K(o=-4!,f=-0.00077) USER MOD Set 2.1: A 41 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= -0.0487 (180deg=-0.0687) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc=-0.00797 X(o=-0.008,f=0) USER MOD Single : A 8 GLN : amide:sc= -0.0476 K(o=-0.048,f=-0.74) USER MOD Single : A 10 SER OG : rot -58:sc= 0.701 USER MOD Single : A 11 HIS : no HD1:sc= -0.138 K(o=-0.14,f=-2.8!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -144:sc= -0.488 (180deg=-1.65!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0409 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.051) USER MOD Single : A 38 ASN : amide:sc= -0.493 K(o=-0.49,f=-3!) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0791 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 171:sc=-0.00563 (180deg=-0.0924) USER MOD Single : A 46 LYS NZ :NH3+ 177:sc= -0.917 (180deg=-0.959) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 57 SER OG : rot -171:sc= -2.8! USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.333 X(o=-0.33,f=-0.011) USER MOD Single : A 64 GLN : amide:sc= -0.946 K(o=-0.95,f=-2.1!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -52:sc= 0.523 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0.195 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0589 USER MOD Single : A 77 SER OG : rot 140:sc=-0.000714 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.3) USER MOD Single : A 87 HIS : no HE2:sc= -0.414 X(o=-0.41,f=-0.89) USER MOD Single : A 88 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.27) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.329 0.321 -14.709 1.00 0.00 N ATOM 2 CA MET A 1 -1.891 -0.581 -15.748 1.00 0.00 C ATOM 3 C MET A 1 -3.310 -1.016 -15.392 1.00 0.00 C ATOM 4 O MET A 1 -3.772 -0.802 -14.271 1.00 0.00 O ATOM 5 CB MET A 1 -0.980 -1.803 -15.875 1.00 0.00 C ATOM 6 CG MET A 1 -1.143 -2.549 -17.189 1.00 0.00 C ATOM 7 SD MET A 1 0.034 -2.012 -18.446 1.00 0.00 S ATOM 8 CE MET A 1 -0.918 -2.286 -19.938 1.00 0.00 C ATOM 0 H1 MET A 1 -0.398 0.668 -15.017 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.970 1.128 -14.566 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.225 -0.201 -13.815 1.00 0.00 H new ATOM 0 HA MET A 1 -1.940 -0.048 -16.697 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.058 -1.484 -15.774 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.185 -2.486 -15.051 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.018 -3.617 -17.013 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.157 -2.404 -17.561 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.324 -2.000 -20.806 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.184 -3.341 -20.011 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.826 -1.684 -19.906 1.00 0.00 H new ATOM 20 N ARG A 2 -3.996 -1.627 -16.353 1.00 0.00 N ATOM 21 CA ARG A 2 -5.363 -2.092 -16.144 1.00 0.00 C ATOM 22 C ARG A 2 -5.386 -3.328 -15.245 1.00 0.00 C ATOM 23 O ARG A 2 -4.466 -3.554 -14.460 1.00 0.00 O ATOM 24 CB ARG A 2 -6.026 -2.406 -17.487 1.00 0.00 C ATOM 25 CG ARG A 2 -6.220 -1.184 -18.371 1.00 0.00 C ATOM 26 CD ARG A 2 -7.344 -1.397 -19.372 1.00 0.00 C ATOM 27 NE ARG A 2 -8.596 -1.769 -18.718 1.00 0.00 N ATOM 28 CZ ARG A 2 -9.698 -1.026 -18.756 1.00 0.00 C ATOM 29 NH1 ARG A 2 -9.705 0.123 -19.421 1.00 0.00 N ATOM 30 NH2 ARG A 2 -10.794 -1.430 -18.130 1.00 0.00 N ATOM 0 H ARG A 2 -3.627 -1.812 -17.286 1.00 0.00 H new ATOM 0 HA ARG A 2 -5.922 -1.297 -15.649 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -5.418 -3.137 -18.020 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.995 -2.870 -17.304 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.443 -0.316 -17.751 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -5.294 -0.967 -18.903 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.494 -0.484 -19.949 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -7.058 -2.177 -20.078 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.627 -2.649 -18.203 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -8.864 0.438 -19.904 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -10.552 0.691 -19.449 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -10.793 -2.312 -17.618 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -11.638 -0.859 -18.160 1.00 0.00 H new ATOM 44 N GLY A 3 -6.445 -4.124 -15.366 1.00 0.00 N ATOM 45 CA GLY A 3 -6.568 -5.322 -14.557 1.00 0.00 C ATOM 46 C GLY A 3 -7.185 -5.044 -13.201 1.00 0.00 C ATOM 47 O GLY A 3 -6.560 -4.415 -12.346 1.00 0.00 O ATOM 0 H GLY A 3 -7.219 -3.960 -16.010 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -7.178 -6.054 -15.087 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -5.583 -5.767 -14.420 1.00 0.00 H new ATOM 51 N SER A 4 -8.414 -5.509 -13.004 1.00 0.00 N ATOM 52 CA SER A 4 -9.117 -5.303 -11.743 1.00 0.00 C ATOM 53 C SER A 4 -9.128 -6.578 -10.906 1.00 0.00 C ATOM 54 O SER A 4 -9.517 -6.562 -9.738 1.00 0.00 O ATOM 55 CB SER A 4 -10.552 -4.841 -12.007 1.00 0.00 C ATOM 56 OG SER A 4 -11.330 -5.884 -12.567 1.00 0.00 O ATOM 0 H SER A 4 -8.944 -6.031 -13.702 1.00 0.00 H new ATOM 0 HA SER A 4 -8.588 -4.531 -11.185 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.006 -4.505 -11.075 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.543 -3.986 -12.684 1.00 0.00 H new ATOM 0 HG SER A 4 -12.243 -5.563 -12.724 1.00 0.00 H new ATOM 62 N ASN A 5 -8.699 -7.683 -11.510 1.00 0.00 N ATOM 63 CA ASN A 5 -8.663 -8.966 -10.816 1.00 0.00 C ATOM 64 C ASN A 5 -7.293 -9.211 -10.191 1.00 0.00 C ATOM 65 O ASN A 5 -6.261 -8.947 -10.808 1.00 0.00 O ATOM 66 CB ASN A 5 -9.008 -10.102 -11.779 1.00 0.00 C ATOM 67 CG ASN A 5 -9.350 -11.386 -11.052 1.00 0.00 C ATOM 68 OD1 ASN A 5 -8.653 -12.393 -11.182 1.00 0.00 O ATOM 69 ND2 ASN A 5 -10.428 -11.358 -10.277 1.00 0.00 N ATOM 0 H ASN A 5 -8.372 -7.716 -12.476 1.00 0.00 H new ATOM 0 HA ASN A 5 -9.405 -8.938 -10.018 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.851 -9.804 -12.402 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.165 -10.278 -12.447 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.707 -12.192 -9.761 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.977 -10.502 -10.198 1.00 0.00 H new ATOM 76 N ALA A 6 -7.294 -9.719 -8.962 1.00 0.00 N ATOM 77 CA ALA A 6 -6.054 -10.003 -8.249 1.00 0.00 C ATOM 78 C ALA A 6 -6.101 -11.382 -7.591 1.00 0.00 C ATOM 79 O ALA A 6 -6.489 -11.508 -6.429 1.00 0.00 O ATOM 80 CB ALA A 6 -5.789 -8.927 -7.206 1.00 0.00 C ATOM 0 H ALA A 6 -8.141 -9.942 -8.439 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.238 -10.003 -8.972 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.861 -9.150 -6.681 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.704 -7.958 -7.697 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.613 -8.901 -6.492 1.00 0.00 H new ATOM 86 N PRO A 7 -5.707 -12.438 -8.326 1.00 0.00 N ATOM 87 CA PRO A 7 -5.711 -13.809 -7.803 1.00 0.00 C ATOM 88 C PRO A 7 -4.736 -13.992 -6.644 1.00 0.00 C ATOM 89 O PRO A 7 -5.089 -14.564 -5.611 1.00 0.00 O ATOM 90 CB PRO A 7 -5.279 -14.657 -9.004 1.00 0.00 C ATOM 91 CG PRO A 7 -4.560 -13.712 -9.903 1.00 0.00 C ATOM 92 CD PRO A 7 -5.231 -12.382 -9.719 1.00 0.00 C ATOM 0 HA PRO A 7 -6.686 -14.084 -7.401 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -4.632 -15.478 -8.695 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.140 -15.100 -9.504 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.502 -13.655 -9.645 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -4.618 -14.039 -10.941 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.538 -11.556 -9.875 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -6.054 -12.245 -10.421 1.00 0.00 H new ATOM 100 N GLN A 8 -3.511 -13.505 -6.823 1.00 0.00 N ATOM 101 CA GLN A 8 -2.480 -13.613 -5.794 1.00 0.00 C ATOM 102 C GLN A 8 -2.240 -15.071 -5.404 1.00 0.00 C ATOM 103 O GLN A 8 -2.825 -15.568 -4.441 1.00 0.00 O ATOM 104 CB GLN A 8 -2.873 -12.798 -4.557 1.00 0.00 C ATOM 105 CG GLN A 8 -2.727 -11.297 -4.745 1.00 0.00 C ATOM 106 CD GLN A 8 -3.596 -10.503 -3.792 1.00 0.00 C ATOM 107 OE1 GLN A 8 -4.757 -10.845 -3.559 1.00 0.00 O ATOM 108 NE2 GLN A 8 -3.040 -9.434 -3.233 1.00 0.00 N ATOM 0 H GLN A 8 -3.207 -13.030 -7.673 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.554 -13.212 -6.206 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.907 -13.024 -4.297 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.256 -13.112 -3.715 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.684 -11.016 -4.599 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.987 -11.036 -5.771 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -2.075 -9.187 -3.454 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -3.578 -8.861 -2.583 1.00 0.00 H new ATOM 117 N PRO A 9 -1.372 -15.780 -6.151 1.00 0.00 N ATOM 118 CA PRO A 9 -1.060 -17.188 -5.876 1.00 0.00 C ATOM 119 C PRO A 9 -0.495 -17.390 -4.474 1.00 0.00 C ATOM 120 O PRO A 9 0.682 -17.122 -4.228 1.00 0.00 O ATOM 121 CB PRO A 9 -0.006 -17.543 -6.931 1.00 0.00 C ATOM 122 CG PRO A 9 -0.180 -16.527 -8.007 1.00 0.00 C ATOM 123 CD PRO A 9 -0.629 -15.271 -7.318 1.00 0.00 C ATOM 0 HA PRO A 9 -1.951 -17.815 -5.922 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.000 -17.506 -6.512 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.155 -18.553 -7.314 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.754 -16.365 -8.546 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.917 -16.856 -8.739 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.216 -14.651 -7.019 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.260 -14.660 -7.963 1.00 0.00 H new ATOM 131 N SER A 10 -1.344 -17.864 -3.564 1.00 0.00 N ATOM 132 CA SER A 10 -0.943 -18.106 -2.178 1.00 0.00 C ATOM 133 C SER A 10 -0.585 -16.799 -1.473 1.00 0.00 C ATOM 134 O SER A 10 0.150 -15.970 -2.009 1.00 0.00 O ATOM 135 CB SER A 10 0.238 -19.078 -2.121 1.00 0.00 C ATOM 136 OG SER A 10 1.460 -18.391 -1.918 1.00 0.00 O ATOM 0 H SER A 10 -2.319 -18.089 -3.762 1.00 0.00 H new ATOM 0 HA SER A 10 -1.791 -18.553 -1.658 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.083 -19.795 -1.315 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.288 -19.648 -3.049 1.00 0.00 H new ATOM 0 HG SER A 10 1.592 -17.739 -2.637 1.00 0.00 H new ATOM 142 N HIS A 11 -1.118 -16.623 -0.267 1.00 0.00 N ATOM 143 CA HIS A 11 -0.864 -15.417 0.513 1.00 0.00 C ATOM 144 C HIS A 11 0.605 -15.319 0.918 1.00 0.00 C ATOM 145 O HIS A 11 1.293 -16.330 1.054 1.00 0.00 O ATOM 146 CB HIS A 11 -1.750 -15.395 1.760 1.00 0.00 C ATOM 147 CG HIS A 11 -1.454 -16.496 2.730 1.00 0.00 C ATOM 148 ND1 HIS A 11 -1.196 -17.778 2.305 1.00 0.00 N ATOM 149 CD2 HIS A 11 -1.389 -16.458 4.084 1.00 0.00 C ATOM 150 CE1 HIS A 11 -0.982 -18.485 3.400 1.00 0.00 C ATOM 151 NE2 HIS A 11 -1.089 -17.728 4.503 1.00 0.00 N ATOM 0 H HIS A 11 -1.728 -17.300 0.191 1.00 0.00 H new ATOM 0 HA HIS A 11 -1.104 -14.558 -0.113 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -1.628 -14.436 2.264 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -2.794 -15.464 1.454 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -1.544 -15.593 4.712 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -0.750 -19.540 3.407 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -0.970 -18.038 5.467 1.00 0.00 H new ATOM 159 N ILE A 12 1.071 -14.089 1.108 1.00 0.00 N ATOM 160 CA ILE A 12 2.455 -13.841 1.499 1.00 0.00 C ATOM 161 C ILE A 12 2.569 -13.639 3.007 1.00 0.00 C ATOM 162 O ILE A 12 1.593 -13.277 3.667 1.00 0.00 O ATOM 163 CB ILE A 12 3.016 -12.597 0.778 1.00 0.00 C ATOM 164 CG1 ILE A 12 4.435 -12.282 1.257 1.00 0.00 C ATOM 165 CG2 ILE A 12 2.102 -11.403 1.003 1.00 0.00 C ATOM 166 CD1 ILE A 12 5.288 -11.602 0.210 1.00 0.00 C ATOM 0 H ILE A 12 0.509 -13.245 0.997 1.00 0.00 H new ATOM 0 HA ILE A 12 3.036 -14.717 1.210 1.00 0.00 H new ATOM 0 HB ILE A 12 3.059 -12.810 -0.290 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.379 -11.644 2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.920 -13.208 1.564 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.509 -10.532 0.489 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.110 -11.625 0.611 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.032 -11.195 2.071 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.280 -11.409 0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.375 -12.248 -0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.825 -10.659 -0.080 1.00 0.00 H new ATOM 178 N SER A 13 3.766 -13.868 3.544 1.00 0.00 N ATOM 179 CA SER A 13 4.014 -13.701 4.971 1.00 0.00 C ATOM 180 C SER A 13 3.484 -12.357 5.459 1.00 0.00 C ATOM 181 O SER A 13 2.719 -12.297 6.423 1.00 0.00 O ATOM 182 CB SER A 13 5.511 -13.812 5.264 1.00 0.00 C ATOM 183 OG SER A 13 5.741 -14.406 6.530 1.00 0.00 O ATOM 0 H SER A 13 4.580 -14.170 3.009 1.00 0.00 H new ATOM 0 HA SER A 13 3.488 -14.493 5.504 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.994 -14.405 4.487 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.965 -12.821 5.236 1.00 0.00 H new ATOM 0 HG SER A 13 6.706 -14.467 6.692 1.00 0.00 H new ATOM 189 N LYS A 14 3.889 -11.279 4.788 1.00 0.00 N ATOM 190 CA LYS A 14 3.439 -9.942 5.164 1.00 0.00 C ATOM 191 C LYS A 14 3.745 -8.915 4.076 1.00 0.00 C ATOM 192 O LYS A 14 4.775 -8.985 3.404 1.00 0.00 O ATOM 193 CB LYS A 14 4.094 -9.514 6.479 1.00 0.00 C ATOM 194 CG LYS A 14 5.562 -9.892 6.581 1.00 0.00 C ATOM 195 CD LYS A 14 6.457 -8.664 6.534 1.00 0.00 C ATOM 196 CE LYS A 14 7.749 -8.883 7.306 1.00 0.00 C ATOM 197 NZ LYS A 14 7.500 -9.457 8.658 1.00 0.00 N ATOM 0 H LYS A 14 4.522 -11.306 3.989 1.00 0.00 H new ATOM 0 HA LYS A 14 2.357 -9.984 5.292 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.998 -8.434 6.588 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.552 -9.968 7.309 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.735 -10.435 7.510 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.823 -10.566 5.765 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.689 -8.422 5.497 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.924 -7.809 6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.399 -9.552 6.742 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.277 -7.935 7.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.182 -9.059 9.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.533 -9.223 8.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.611 -10.490 8.622 1.00 0.00 H new ATOM 211 N TYR A 15 2.841 -7.951 3.927 1.00 0.00 N ATOM 212 CA TYR A 15 2.988 -6.883 2.944 1.00 0.00 C ATOM 213 C TYR A 15 3.448 -5.603 3.634 1.00 0.00 C ATOM 214 O TYR A 15 2.945 -5.257 4.698 1.00 0.00 O ATOM 215 CB TYR A 15 1.650 -6.623 2.246 1.00 0.00 C ATOM 216 CG TYR A 15 1.451 -7.391 0.959 1.00 0.00 C ATOM 217 CD1 TYR A 15 2.325 -7.240 -0.109 1.00 0.00 C ATOM 218 CD2 TYR A 15 0.377 -8.259 0.809 1.00 0.00 C ATOM 219 CE1 TYR A 15 2.137 -7.933 -1.288 1.00 0.00 C ATOM 220 CE2 TYR A 15 0.181 -8.956 -0.368 1.00 0.00 C ATOM 221 CZ TYR A 15 1.064 -8.789 -1.413 1.00 0.00 C ATOM 222 OH TYR A 15 0.873 -9.480 -2.588 1.00 0.00 O ATOM 0 H TYR A 15 1.988 -7.888 4.483 1.00 0.00 H new ATOM 0 HA TYR A 15 3.729 -7.188 2.205 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.842 -6.875 2.933 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.567 -5.557 2.034 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.166 -6.569 -0.016 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.317 -8.391 1.626 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.827 -7.805 -2.109 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.659 -9.627 -0.468 1.00 0.00 H new ATOM 0 HH TYR A 15 0.073 -10.041 -2.511 1.00 0.00 H new ATOM 232 N ILE A 16 4.400 -4.900 3.030 1.00 0.00 N ATOM 233 CA ILE A 16 4.904 -3.665 3.606 1.00 0.00 C ATOM 234 C ILE A 16 4.556 -2.472 2.722 1.00 0.00 C ATOM 235 O ILE A 16 4.804 -2.483 1.516 1.00 0.00 O ATOM 236 CB ILE A 16 6.434 -3.737 3.822 1.00 0.00 C ATOM 237 CG1 ILE A 16 6.745 -3.972 5.302 1.00 0.00 C ATOM 238 CG2 ILE A 16 7.131 -2.479 3.317 1.00 0.00 C ATOM 239 CD1 ILE A 16 6.628 -2.729 6.165 1.00 0.00 C ATOM 0 H ILE A 16 4.835 -5.165 2.146 1.00 0.00 H new ATOM 0 HA ILE A 16 4.424 -3.533 4.576 1.00 0.00 H new ATOM 0 HB ILE A 16 6.818 -4.576 3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.068 -4.734 5.688 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.756 -4.369 5.391 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.204 -2.565 3.485 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.939 -2.360 2.251 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.748 -1.611 3.853 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.864 -2.980 7.199 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.325 -1.971 5.808 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.611 -2.342 6.109 1.00 0.00 H new ATOM 251 N LEU A 17 3.987 -1.442 3.336 1.00 0.00 N ATOM 252 CA LEU A 17 3.615 -0.236 2.615 1.00 0.00 C ATOM 253 C LEU A 17 4.387 0.955 3.161 1.00 0.00 C ATOM 254 O LEU A 17 4.209 1.344 4.316 1.00 0.00 O ATOM 255 CB LEU A 17 2.111 0.018 2.730 1.00 0.00 C ATOM 256 CG LEU A 17 1.422 0.427 1.427 1.00 0.00 C ATOM 257 CD1 LEU A 17 0.158 -0.388 1.213 1.00 0.00 C ATOM 258 CD2 LEU A 17 1.105 1.914 1.438 1.00 0.00 C ATOM 0 H LEU A 17 3.774 -1.420 4.333 1.00 0.00 H new ATOM 0 HA LEU A 17 3.864 -0.371 1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.633 -0.886 3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.946 0.800 3.472 1.00 0.00 H new ATOM 0 HG LEU A 17 2.102 0.226 0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.318 -0.083 0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.412 -1.447 1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.528 -0.220 2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.615 2.189 0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.443 2.139 2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.029 2.482 1.544 1.00 0.00 H new ATOM 270 N ARG A 18 5.245 1.531 2.331 1.00 0.00 N ATOM 271 CA ARG A 18 6.043 2.675 2.743 1.00 0.00 C ATOM 272 C ARG A 18 5.818 3.851 1.809 1.00 0.00 C ATOM 273 O ARG A 18 5.912 3.716 0.591 1.00 0.00 O ATOM 274 CB ARG A 18 7.528 2.310 2.780 1.00 0.00 C ATOM 275 CG ARG A 18 7.807 0.857 2.436 1.00 0.00 C ATOM 276 CD ARG A 18 8.886 0.267 3.329 1.00 0.00 C ATOM 277 NE ARG A 18 10.223 0.703 2.936 1.00 0.00 N ATOM 278 CZ ARG A 18 10.888 1.682 3.544 1.00 0.00 C ATOM 279 NH1 ARG A 18 10.338 2.326 4.564 1.00 0.00 N ATOM 280 NH2 ARG A 18 12.102 2.018 3.130 1.00 0.00 N ATOM 0 H ARG A 18 5.406 1.225 1.371 1.00 0.00 H new ATOM 0 HA ARG A 18 5.729 2.963 3.746 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.068 2.950 2.082 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.920 2.521 3.775 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.891 0.276 2.539 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.116 0.782 1.393 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.700 0.558 4.363 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.834 -0.821 3.290 1.00 0.00 H new ATOM 0 HE ARG A 18 10.672 0.231 2.152 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.404 2.071 4.884 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.849 3.076 5.029 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.527 1.526 2.344 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.611 2.769 3.597 1.00 0.00 H new ATOM 294 N TRP A 19 5.522 5.006 2.387 1.00 0.00 N ATOM 295 CA TRP A 19 5.284 6.204 1.601 1.00 0.00 C ATOM 296 C TRP A 19 5.694 7.451 2.373 1.00 0.00 C ATOM 297 O TRP A 19 5.845 7.419 3.596 1.00 0.00 O ATOM 298 CB TRP A 19 3.811 6.287 1.191 1.00 0.00 C ATOM 299 CG TRP A 19 2.908 6.786 2.277 1.00 0.00 C ATOM 300 CD1 TRP A 19 2.473 8.067 2.453 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.328 6.015 3.335 1.00 0.00 C ATOM 302 NE1 TRP A 19 1.656 8.141 3.556 1.00 0.00 N ATOM 303 CE2 TRP A 19 1.552 6.894 4.114 1.00 0.00 C ATOM 304 CE3 TRP A 19 2.388 4.667 3.698 1.00 0.00 C ATOM 305 CZ2 TRP A 19 0.842 6.467 5.234 1.00 0.00 C ATOM 306 CZ3 TRP A 19 1.683 4.245 4.809 1.00 0.00 C ATOM 307 CH2 TRP A 19 0.919 5.143 5.566 1.00 0.00 C ATOM 0 H TRP A 19 5.441 5.137 3.395 1.00 0.00 H new ATOM 0 HA TRP A 19 5.895 6.148 0.700 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.721 6.944 0.326 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.475 5.299 0.877 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.733 8.901 1.818 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.202 8.986 3.902 1.00 0.00 H new ATOM 0 HE3 TRP A 19 2.975 3.968 3.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.252 7.157 5.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 1.722 3.205 5.099 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.380 4.782 6.429 1.00 0.00 H new ATOM 318 N ARG A 20 5.873 8.546 1.646 1.00 0.00 N ATOM 319 CA ARG A 20 6.267 9.812 2.244 1.00 0.00 C ATOM 320 C ARG A 20 5.893 10.968 1.324 1.00 0.00 C ATOM 321 O ARG A 20 5.807 10.794 0.108 1.00 0.00 O ATOM 322 CB ARG A 20 7.774 9.826 2.508 1.00 0.00 C ATOM 323 CG ARG A 20 8.609 9.509 1.279 1.00 0.00 C ATOM 324 CD ARG A 20 9.815 10.426 1.166 1.00 0.00 C ATOM 325 NE ARG A 20 10.685 10.043 0.059 1.00 0.00 N ATOM 326 CZ ARG A 20 11.916 10.515 -0.115 1.00 0.00 C ATOM 327 NH1 ARG A 20 12.424 11.385 0.747 1.00 0.00 N ATOM 328 NH2 ARG A 20 12.643 10.114 -1.150 1.00 0.00 N ATOM 0 H ARG A 20 5.750 8.581 0.634 1.00 0.00 H new ATOM 0 HA ARG A 20 5.740 9.928 3.191 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.059 10.807 2.888 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.004 9.103 3.290 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.943 8.472 1.324 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.993 9.607 0.385 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.479 11.453 1.025 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.380 10.400 2.098 1.00 0.00 H new ATOM 0 HE ARG A 20 10.328 9.373 -0.622 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.870 11.694 1.546 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.368 11.745 0.611 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.258 9.442 -1.814 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.587 10.477 -1.282 1.00 0.00 H new ATOM 342 N PRO A 21 5.667 12.170 1.883 1.00 0.00 N ATOM 343 CA PRO A 21 5.307 13.341 1.083 1.00 0.00 C ATOM 344 C PRO A 21 6.374 13.651 0.042 1.00 0.00 C ATOM 345 O PRO A 21 7.477 14.084 0.376 1.00 0.00 O ATOM 346 CB PRO A 21 5.203 14.476 2.112 1.00 0.00 C ATOM 347 CG PRO A 21 5.913 13.975 3.326 1.00 0.00 C ATOM 348 CD PRO A 21 5.746 12.484 3.318 1.00 0.00 C ATOM 0 HA PRO A 21 4.384 13.191 0.523 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.663 15.390 1.737 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.162 14.711 2.334 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.968 14.249 3.302 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.491 14.410 4.232 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.586 11.981 3.796 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.846 12.175 3.849 1.00 0.00 H new ATOM 356 N LYS A 22 6.037 13.415 -1.222 1.00 0.00 N ATOM 357 CA LYS A 22 6.957 13.653 -2.326 1.00 0.00 C ATOM 358 C LYS A 22 7.425 15.104 -2.342 1.00 0.00 C ATOM 359 O LYS A 22 8.571 15.394 -2.687 1.00 0.00 O ATOM 360 CB LYS A 22 6.275 13.304 -3.647 1.00 0.00 C ATOM 361 CG LYS A 22 7.224 13.260 -4.834 1.00 0.00 C ATOM 362 CD LYS A 22 7.005 12.012 -5.673 1.00 0.00 C ATOM 363 CE LYS A 22 6.531 12.361 -7.075 1.00 0.00 C ATOM 364 NZ LYS A 22 7.632 12.910 -7.913 1.00 0.00 N ATOM 0 H LYS A 22 5.126 13.056 -1.507 1.00 0.00 H new ATOM 0 HA LYS A 22 7.833 13.018 -2.192 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.786 12.335 -3.548 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.493 14.036 -3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.078 14.146 -5.452 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.254 13.286 -4.479 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.934 11.444 -5.732 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.269 11.370 -5.188 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.121 11.471 -7.552 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.723 13.090 -7.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.268 13.135 -8.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.006 13.774 -7.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.392 12.205 -7.993 1.00 0.00 H new ATOM 378 N ASN A 23 6.529 16.007 -1.967 1.00 0.00 N ATOM 379 CA ASN A 23 6.844 17.431 -1.936 1.00 0.00 C ATOM 380 C ASN A 23 7.819 17.751 -0.807 1.00 0.00 C ATOM 381 O ASN A 23 8.605 18.694 -0.902 1.00 0.00 O ATOM 382 CB ASN A 23 5.565 18.254 -1.770 1.00 0.00 C ATOM 383 CG ASN A 23 5.798 19.734 -1.999 1.00 0.00 C ATOM 384 OD1 ASN A 23 6.424 20.132 -2.980 1.00 0.00 O ATOM 385 ND2 ASN A 23 5.294 20.560 -1.089 1.00 0.00 N ATOM 0 H ASN A 23 5.577 15.780 -1.680 1.00 0.00 H new ATOM 0 HA ASN A 23 7.317 17.693 -2.883 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.811 17.895 -2.471 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.166 18.102 -0.767 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.420 21.567 -1.189 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.781 20.187 -0.290 1.00 0.00 H new ATOM 392 N SER A 24 7.763 16.962 0.263 1.00 0.00 N ATOM 393 CA SER A 24 8.642 17.164 1.411 1.00 0.00 C ATOM 394 C SER A 24 10.039 16.620 1.132 1.00 0.00 C ATOM 395 O SER A 24 10.420 16.418 -0.022 1.00 0.00 O ATOM 396 CB SER A 24 8.057 16.491 2.653 1.00 0.00 C ATOM 397 OG SER A 24 8.419 17.190 3.832 1.00 0.00 O ATOM 0 H SER A 24 7.118 16.177 0.359 1.00 0.00 H new ATOM 0 HA SER A 24 8.721 18.236 1.591 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.971 16.450 2.570 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.411 15.462 2.714 1.00 0.00 H new ATOM 0 HG SER A 24 8.031 16.740 4.611 1.00 0.00 H new ATOM 403 N VAL A 25 10.802 16.387 2.197 1.00 0.00 N ATOM 404 CA VAL A 25 12.158 15.869 2.069 1.00 0.00 C ATOM 405 C VAL A 25 12.271 14.458 2.644 1.00 0.00 C ATOM 406 O VAL A 25 13.304 13.802 2.503 1.00 0.00 O ATOM 407 CB VAL A 25 13.178 16.794 2.769 1.00 0.00 C ATOM 408 CG1 VAL A 25 13.079 16.663 4.282 1.00 0.00 C ATOM 409 CG2 VAL A 25 14.591 16.493 2.291 1.00 0.00 C ATOM 0 H VAL A 25 10.502 16.549 3.158 1.00 0.00 H new ATOM 0 HA VAL A 25 12.386 15.833 1.004 1.00 0.00 H new ATOM 0 HB VAL A 25 12.941 17.824 2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 25 13.807 17.324 4.753 1.00 0.00 H new ATOM 0 HG12 VAL A 25 12.076 16.939 4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 25 13.284 15.632 4.572 1.00 0.00 H new ATOM 0 HG21 VAL A 25 15.295 17.155 2.796 1.00 0.00 H new ATOM 0 HG22 VAL A 25 14.840 15.457 2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 25 14.652 16.651 1.214 1.00 0.00 H new ATOM 419 N GLY A 26 11.204 13.994 3.291 1.00 0.00 N ATOM 420 CA GLY A 26 11.213 12.662 3.873 1.00 0.00 C ATOM 421 C GLY A 26 9.913 12.314 4.575 1.00 0.00 C ATOM 422 O GLY A 26 8.834 12.446 3.998 1.00 0.00 O ATOM 0 H GLY A 26 10.337 14.514 3.422 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.403 11.930 3.088 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.035 12.588 4.585 1.00 0.00 H new ATOM 426 N ARG A 27 10.023 11.860 5.825 1.00 0.00 N ATOM 427 CA ARG A 27 8.854 11.481 6.620 1.00 0.00 C ATOM 428 C ARG A 27 8.139 10.282 6.006 1.00 0.00 C ATOM 429 O ARG A 27 7.079 10.422 5.396 1.00 0.00 O ATOM 430 CB ARG A 27 7.887 12.661 6.752 1.00 0.00 C ATOM 431 CG ARG A 27 8.549 13.939 7.243 1.00 0.00 C ATOM 432 CD ARG A 27 7.748 14.584 8.362 1.00 0.00 C ATOM 433 NE ARG A 27 8.183 14.129 9.679 1.00 0.00 N ATOM 434 CZ ARG A 27 7.606 13.131 10.344 1.00 0.00 C ATOM 435 NH1 ARG A 27 6.577 12.482 9.815 1.00 0.00 N ATOM 436 NH2 ARG A 27 8.059 12.781 11.540 1.00 0.00 N ATOM 0 H ARG A 27 10.913 11.746 6.310 1.00 0.00 H new ATOM 0 HA ARG A 27 9.203 11.200 7.614 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.424 12.851 5.784 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.087 12.389 7.440 1.00 0.00 H new ATOM 0 HG2 ARG A 27 9.556 13.716 7.596 1.00 0.00 H new ATOM 0 HG3 ARG A 27 8.649 14.640 6.414 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.848 15.668 8.302 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.691 14.354 8.230 1.00 0.00 H new ATOM 0 HE ARG A 27 8.974 14.603 10.114 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.225 12.747 8.895 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.138 11.718 10.328 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.850 13.277 11.951 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.616 12.016 12.049 1.00 0.00 H new ATOM 450 N TRP A 28 8.728 9.100 6.173 1.00 0.00 N ATOM 451 CA TRP A 28 8.154 7.869 5.638 1.00 0.00 C ATOM 452 C TRP A 28 7.086 7.306 6.575 1.00 0.00 C ATOM 453 O TRP A 28 6.866 7.829 7.667 1.00 0.00 O ATOM 454 CB TRP A 28 9.250 6.823 5.429 1.00 0.00 C ATOM 455 CG TRP A 28 10.225 7.181 4.349 1.00 0.00 C ATOM 456 CD1 TRP A 28 11.379 7.897 4.489 1.00 0.00 C ATOM 457 CD2 TRP A 28 10.133 6.835 2.963 1.00 0.00 C ATOM 458 NE1 TRP A 28 12.013 8.015 3.275 1.00 0.00 N ATOM 459 CE2 TRP A 28 11.267 7.371 2.323 1.00 0.00 C ATOM 460 CE3 TRP A 28 9.204 6.122 2.200 1.00 0.00 C ATOM 461 CZ2 TRP A 28 11.494 7.217 0.957 1.00 0.00 C ATOM 462 CZ3 TRP A 28 9.431 5.970 0.845 1.00 0.00 C ATOM 463 CH2 TRP A 28 10.568 6.515 0.236 1.00 0.00 C ATOM 0 H TRP A 28 9.605 8.969 6.676 1.00 0.00 H new ATOM 0 HA TRP A 28 7.688 8.106 4.682 1.00 0.00 H new ATOM 0 HB2 TRP A 28 9.792 6.685 6.365 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.786 5.867 5.186 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.741 8.311 5.419 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.894 8.502 3.110 1.00 0.00 H new ATOM 0 HE3 TRP A 28 8.324 5.697 2.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 12.370 7.637 0.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 8.719 5.422 0.246 1.00 0.00 H new ATOM 0 HH2 TRP A 28 10.717 6.378 -0.825 1.00 0.00 H new ATOM 474 N LYS A 29 6.435 6.228 6.140 1.00 0.00 N ATOM 475 CA LYS A 29 5.399 5.576 6.936 1.00 0.00 C ATOM 476 C LYS A 29 5.293 4.108 6.541 1.00 0.00 C ATOM 477 O LYS A 29 5.340 3.780 5.360 1.00 0.00 O ATOM 478 CB LYS A 29 4.054 6.278 6.739 1.00 0.00 C ATOM 479 CG LYS A 29 3.796 7.390 7.745 1.00 0.00 C ATOM 480 CD LYS A 29 2.890 8.466 7.171 1.00 0.00 C ATOM 481 CE LYS A 29 2.823 9.679 8.085 1.00 0.00 C ATOM 482 NZ LYS A 29 1.759 9.540 9.118 1.00 0.00 N ATOM 0 H LYS A 29 6.609 5.787 5.237 1.00 0.00 H new ATOM 0 HA LYS A 29 5.669 5.641 7.990 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.014 6.694 5.732 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.254 5.541 6.811 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.341 6.971 8.642 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.744 7.835 8.047 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.257 8.767 6.190 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.888 8.061 7.026 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.787 9.818 8.574 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.636 10.572 7.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.747 10.388 9.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.835 9.433 8.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.951 8.702 9.704 1.00 0.00 H new ATOM 496 N GLU A 30 5.172 3.222 7.526 1.00 0.00 N ATOM 497 CA GLU A 30 5.091 1.791 7.245 1.00 0.00 C ATOM 498 C GLU A 30 3.789 1.177 7.756 1.00 0.00 C ATOM 499 O GLU A 30 3.359 1.443 8.879 1.00 0.00 O ATOM 500 CB GLU A 30 6.284 1.058 7.866 1.00 0.00 C ATOM 501 CG GLU A 30 7.487 1.953 8.123 1.00 0.00 C ATOM 502 CD GLU A 30 8.804 1.262 7.826 1.00 0.00 C ATOM 503 OE1 GLU A 30 8.901 0.598 6.773 1.00 0.00 O ATOM 504 OE2 GLU A 30 9.737 1.386 8.645 1.00 0.00 O ATOM 0 H GLU A 30 5.128 3.465 8.516 1.00 0.00 H new ATOM 0 HA GLU A 30 5.112 1.676 6.161 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.971 0.606 8.807 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.583 0.244 7.205 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.405 2.850 7.509 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.478 2.277 9.164 1.00 0.00 H new ATOM 511 N ALA A 31 3.179 0.341 6.917 1.00 0.00 N ATOM 512 CA ALA A 31 1.934 -0.340 7.257 1.00 0.00 C ATOM 513 C ALA A 31 1.954 -1.769 6.722 1.00 0.00 C ATOM 514 O ALA A 31 1.995 -1.983 5.511 1.00 0.00 O ATOM 515 CB ALA A 31 0.740 0.421 6.698 1.00 0.00 C ATOM 0 H ALA A 31 3.533 0.118 5.987 1.00 0.00 H new ATOM 0 HA ALA A 31 1.840 -0.374 8.342 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.180 -0.101 6.961 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.720 1.426 7.119 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.824 0.484 5.613 1.00 0.00 H new ATOM 521 N THR A 32 1.944 -2.745 7.626 1.00 0.00 N ATOM 522 CA THR A 32 1.982 -4.148 7.223 1.00 0.00 C ATOM 523 C THR A 32 0.591 -4.773 7.177 1.00 0.00 C ATOM 524 O THR A 32 -0.233 -4.558 8.065 1.00 0.00 O ATOM 525 CB THR A 32 2.871 -4.982 8.164 1.00 0.00 C ATOM 526 OG1 THR A 32 4.155 -4.362 8.303 1.00 0.00 O ATOM 527 CG2 THR A 32 3.043 -6.400 7.633 1.00 0.00 C ATOM 0 H THR A 32 1.910 -2.593 8.634 1.00 0.00 H new ATOM 0 HA THR A 32 2.405 -4.159 6.218 1.00 0.00 H new ATOM 0 HB THR A 32 2.384 -5.032 9.138 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.714 -4.898 8.904 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.675 -6.970 8.315 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.068 -6.880 7.555 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.510 -6.366 6.649 1.00 0.00 H new ATOM 535 N ILE A 33 0.350 -5.563 6.132 1.00 0.00 N ATOM 536 CA ILE A 33 -0.928 -6.246 5.953 1.00 0.00 C ATOM 537 C ILE A 33 -0.703 -7.701 5.537 1.00 0.00 C ATOM 538 O ILE A 33 -0.240 -7.969 4.429 1.00 0.00 O ATOM 539 CB ILE A 33 -1.806 -5.554 4.892 1.00 0.00 C ATOM 540 CG1 ILE A 33 -1.633 -4.034 4.955 1.00 0.00 C ATOM 541 CG2 ILE A 33 -3.267 -5.931 5.088 1.00 0.00 C ATOM 542 CD1 ILE A 33 -0.866 -3.465 3.783 1.00 0.00 C ATOM 0 H ILE A 33 1.028 -5.746 5.393 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.446 -6.207 6.911 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.487 -5.894 3.907 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.616 -3.566 4.997 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.116 -3.773 5.878 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.875 -5.435 4.332 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.380 -7.011 4.994 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.594 -5.617 6.079 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.782 -2.384 3.894 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.131 -3.905 3.752 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.393 -3.695 2.857 1.00 0.00 H new ATOM 554 N PRO A 34 -1.017 -8.660 6.429 1.00 0.00 N ATOM 555 CA PRO A 34 -0.837 -10.094 6.153 1.00 0.00 C ATOM 556 C PRO A 34 -1.442 -10.530 4.820 1.00 0.00 C ATOM 557 O PRO A 34 -2.627 -10.860 4.747 1.00 0.00 O ATOM 558 CB PRO A 34 -1.568 -10.768 7.313 1.00 0.00 C ATOM 559 CG PRO A 34 -1.499 -9.783 8.426 1.00 0.00 C ATOM 560 CD PRO A 34 -1.563 -8.427 7.780 1.00 0.00 C ATOM 0 HA PRO A 34 0.218 -10.356 6.075 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.601 -10.997 7.051 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.092 -11.710 7.587 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.325 -9.923 9.123 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.577 -9.901 8.996 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.585 -8.050 7.740 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.974 -7.693 8.329 1.00 0.00 H new ATOM 568 N GLY A 35 -0.617 -10.539 3.773 1.00 0.00 N ATOM 569 CA GLY A 35 -1.077 -10.946 2.455 1.00 0.00 C ATOM 570 C GLY A 35 -2.396 -10.309 2.058 1.00 0.00 C ATOM 571 O GLY A 35 -3.159 -10.885 1.282 1.00 0.00 O ATOM 0 H GLY A 35 0.366 -10.270 3.816 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.319 -10.686 1.716 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.184 -12.031 2.434 1.00 0.00 H new ATOM 575 N HIS A 36 -2.666 -9.119 2.592 1.00 0.00 N ATOM 576 CA HIS A 36 -3.904 -8.405 2.289 1.00 0.00 C ATOM 577 C HIS A 36 -5.120 -9.290 2.555 1.00 0.00 C ATOM 578 O HIS A 36 -5.804 -9.719 1.625 1.00 0.00 O ATOM 579 CB HIS A 36 -3.902 -7.938 0.829 1.00 0.00 C ATOM 580 CG HIS A 36 -4.007 -6.453 0.668 1.00 0.00 C ATOM 581 ND1 HIS A 36 -4.726 -5.896 -0.361 1.00 0.00 N ATOM 582 CD2 HIS A 36 -3.467 -5.461 1.419 1.00 0.00 C ATOM 583 CE1 HIS A 36 -4.612 -4.588 -0.218 1.00 0.00 C ATOM 584 NE2 HIS A 36 -3.858 -4.275 0.847 1.00 0.00 N ATOM 0 H HIS A 36 -2.044 -8.630 3.236 1.00 0.00 H new ATOM 0 HA HIS A 36 -3.964 -7.533 2.941 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -2.986 -8.282 0.349 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.733 -8.410 0.305 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.849 -5.580 2.297 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -5.068 -3.862 -0.875 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -3.621 -3.337 1.170 1.00 0.00 H new ATOM 592 N LEU A 37 -5.382 -9.563 3.831 1.00 0.00 N ATOM 593 CA LEU A 37 -6.513 -10.403 4.215 1.00 0.00 C ATOM 594 C LEU A 37 -7.838 -9.673 4.006 1.00 0.00 C ATOM 595 O LEU A 37 -8.911 -10.260 4.144 1.00 0.00 O ATOM 596 CB LEU A 37 -6.385 -10.900 5.672 1.00 0.00 C ATOM 597 CG LEU A 37 -6.110 -9.849 6.771 1.00 0.00 C ATOM 598 CD1 LEU A 37 -4.702 -9.285 6.662 1.00 0.00 C ATOM 599 CD2 LEU A 37 -7.138 -8.728 6.742 1.00 0.00 C ATOM 0 H LEU A 37 -4.828 -9.216 4.614 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.501 -11.278 3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.307 -11.421 5.930 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.582 -11.637 5.705 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.196 -10.360 7.730 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.543 -8.549 7.450 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.977 -10.092 6.768 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.575 -8.809 5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.913 -8.008 7.528 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.106 -8.230 5.773 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.133 -9.143 6.904 1.00 0.00 H new ATOM 611 N ASN A 38 -7.751 -8.390 3.669 1.00 0.00 N ATOM 612 CA ASN A 38 -8.937 -7.574 3.435 1.00 0.00 C ATOM 613 C ASN A 38 -8.569 -6.293 2.697 1.00 0.00 C ATOM 614 O ASN A 38 -7.420 -6.104 2.298 1.00 0.00 O ATOM 615 CB ASN A 38 -9.625 -7.238 4.761 1.00 0.00 C ATOM 616 CG ASN A 38 -8.981 -6.060 5.468 1.00 0.00 C ATOM 617 OD1 ASN A 38 -7.757 -5.976 5.573 1.00 0.00 O ATOM 618 ND2 ASN A 38 -9.806 -5.141 5.957 1.00 0.00 N ATOM 0 H ASN A 38 -6.869 -7.892 3.552 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.628 -8.146 2.816 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.676 -7.016 4.575 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.594 -8.110 5.414 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -9.431 -4.326 6.442 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -10.814 -5.251 5.847 1.00 0.00 H new ATOM 625 N SER A 39 -9.547 -5.410 2.521 1.00 0.00 N ATOM 626 CA SER A 39 -9.316 -4.147 1.832 1.00 0.00 C ATOM 627 C SER A 39 -8.675 -3.129 2.770 1.00 0.00 C ATOM 628 O SER A 39 -9.336 -2.577 3.649 1.00 0.00 O ATOM 629 CB SER A 39 -10.630 -3.592 1.278 1.00 0.00 C ATOM 630 OG SER A 39 -11.713 -3.888 2.142 1.00 0.00 O ATOM 0 H SER A 39 -10.504 -5.546 2.845 1.00 0.00 H new ATOM 0 HA SER A 39 -8.634 -4.334 1.003 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.547 -2.513 1.150 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.821 -4.016 0.292 1.00 0.00 H new ATOM 0 HG SER A 39 -12.541 -3.521 1.767 1.00 0.00 H new ATOM 636 N TYR A 40 -7.382 -2.889 2.574 1.00 0.00 N ATOM 637 CA TYR A 40 -6.647 -1.939 3.401 1.00 0.00 C ATOM 638 C TYR A 40 -6.178 -0.749 2.571 1.00 0.00 C ATOM 639 O TYR A 40 -5.257 -0.868 1.763 1.00 0.00 O ATOM 640 CB TYR A 40 -5.446 -2.622 4.060 1.00 0.00 C ATOM 641 CG TYR A 40 -5.090 -2.047 5.412 1.00 0.00 C ATOM 642 CD1 TYR A 40 -4.720 -0.714 5.547 1.00 0.00 C ATOM 643 CD2 TYR A 40 -5.124 -2.837 6.555 1.00 0.00 C ATOM 644 CE1 TYR A 40 -4.395 -0.185 6.780 1.00 0.00 C ATOM 645 CE2 TYR A 40 -4.802 -2.315 7.792 1.00 0.00 C ATOM 646 CZ TYR A 40 -4.437 -0.989 7.900 1.00 0.00 C ATOM 647 OH TYR A 40 -4.116 -0.465 9.131 1.00 0.00 O ATOM 0 H TYR A 40 -6.822 -3.339 1.850 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.319 -1.577 4.179 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.659 -3.685 4.171 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.583 -2.537 3.400 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.686 -0.081 4.672 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.407 -3.876 6.474 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.109 0.853 6.867 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.836 -2.942 8.671 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.197 -1.163 9.815 1.00 0.00 H new ATOM 657 N THR A 41 -6.818 0.397 2.778 1.00 0.00 N ATOM 658 CA THR A 41 -6.468 1.609 2.051 1.00 0.00 C ATOM 659 C THR A 41 -5.907 2.672 2.989 1.00 0.00 C ATOM 660 O THR A 41 -6.313 2.768 4.148 1.00 0.00 O ATOM 661 CB THR A 41 -7.687 2.188 1.307 1.00 0.00 C ATOM 662 OG1 THR A 41 -7.319 3.398 0.634 1.00 0.00 O ATOM 663 CG2 THR A 41 -8.829 2.466 2.273 1.00 0.00 C ATOM 0 H THR A 41 -7.582 0.511 3.444 1.00 0.00 H new ATOM 0 HA THR A 41 -5.704 1.332 1.324 1.00 0.00 H new ATOM 0 HB THR A 41 -8.022 1.453 0.576 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.098 3.760 0.162 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.678 2.874 1.725 1.00 0.00 H new ATOM 0 HG22 THR A 41 -9.125 1.538 2.763 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.503 3.185 3.025 1.00 0.00 H new ATOM 671 N ILE A 42 -4.971 3.466 2.481 1.00 0.00 N ATOM 672 CA ILE A 42 -4.352 4.522 3.271 1.00 0.00 C ATOM 673 C ILE A 42 -5.101 5.840 3.108 1.00 0.00 C ATOM 674 O ILE A 42 -5.287 6.326 1.992 1.00 0.00 O ATOM 675 CB ILE A 42 -2.872 4.718 2.882 1.00 0.00 C ATOM 676 CG1 ILE A 42 -2.041 3.525 3.360 1.00 0.00 C ATOM 677 CG2 ILE A 42 -2.326 6.018 3.462 1.00 0.00 C ATOM 678 CD1 ILE A 42 -2.011 3.368 4.866 1.00 0.00 C ATOM 0 H ILE A 42 -4.624 3.398 1.524 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.402 4.213 4.315 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.805 4.780 1.796 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.442 2.613 2.917 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.020 3.635 2.995 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.281 6.134 3.174 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.904 6.859 3.078 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.402 5.992 4.549 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.403 2.502 5.130 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.582 4.263 5.317 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.026 3.226 5.237 1.00 0.00 H new ATOM 690 N LYS A 43 -5.531 6.412 4.229 1.00 0.00 N ATOM 691 CA LYS A 43 -6.260 7.674 4.213 1.00 0.00 C ATOM 692 C LYS A 43 -5.795 8.585 5.343 1.00 0.00 C ATOM 693 O LYS A 43 -5.173 8.130 6.304 1.00 0.00 O ATOM 694 CB LYS A 43 -7.764 7.418 4.332 1.00 0.00 C ATOM 695 CG LYS A 43 -8.464 7.284 2.989 1.00 0.00 C ATOM 696 CD LYS A 43 -9.964 7.108 3.157 1.00 0.00 C ATOM 697 CE LYS A 43 -10.669 7.043 1.813 1.00 0.00 C ATOM 698 NZ LYS A 43 -10.266 5.840 1.031 1.00 0.00 N ATOM 0 H LYS A 43 -5.387 6.021 5.160 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.057 8.171 3.265 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.925 6.508 4.909 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.221 8.235 4.891 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.266 8.169 2.385 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.055 6.431 2.448 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.164 6.196 3.719 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.366 7.936 3.741 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.748 7.030 1.969 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.441 7.942 1.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.876 5.750 0.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.276 5.938 0.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.364 4.991 1.624 1.00 0.00 H new ATOM 712 N GLY A 44 -6.096 9.873 5.218 1.00 0.00 N ATOM 713 CA GLY A 44 -5.700 10.832 6.233 1.00 0.00 C ATOM 714 C GLY A 44 -4.708 11.850 5.707 1.00 0.00 C ATOM 715 O GLY A 44 -4.262 12.730 6.443 1.00 0.00 O ATOM 0 H GLY A 44 -6.608 10.271 4.431 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.584 11.349 6.606 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.260 10.302 7.078 1.00 0.00 H new ATOM 719 N LEU A 45 -4.366 11.731 4.427 1.00 0.00 N ATOM 720 CA LEU A 45 -3.423 12.650 3.798 1.00 0.00 C ATOM 721 C LEU A 45 -4.083 14.001 3.540 1.00 0.00 C ATOM 722 O LEU A 45 -5.113 14.318 4.137 1.00 0.00 O ATOM 723 CB LEU A 45 -2.888 12.047 2.492 1.00 0.00 C ATOM 724 CG LEU A 45 -2.432 10.591 2.606 1.00 0.00 C ATOM 725 CD1 LEU A 45 -2.377 9.935 1.236 1.00 0.00 C ATOM 726 CD2 LEU A 45 -1.080 10.502 3.298 1.00 0.00 C ATOM 0 H LEU A 45 -4.728 11.008 3.806 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.584 12.808 4.475 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.666 12.113 1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.050 12.651 2.144 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.161 10.054 3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.050 8.900 1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.367 9.959 0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.674 10.475 0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.775 9.458 3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.340 11.058 2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.155 10.926 4.299 1.00 0.00 H new ATOM 738 N LYS A 46 -3.492 14.798 2.657 1.00 0.00 N ATOM 739 CA LYS A 46 -4.036 16.108 2.339 1.00 0.00 C ATOM 740 C LYS A 46 -3.860 16.440 0.859 1.00 0.00 C ATOM 741 O LYS A 46 -2.780 16.253 0.298 1.00 0.00 O ATOM 742 CB LYS A 46 -3.368 17.184 3.197 1.00 0.00 C ATOM 743 CG LYS A 46 -4.055 18.537 3.121 1.00 0.00 C ATOM 744 CD LYS A 46 -3.210 19.632 3.756 1.00 0.00 C ATOM 745 CE LYS A 46 -3.501 20.996 3.147 1.00 0.00 C ATOM 746 NZ LYS A 46 -4.451 20.911 2.002 1.00 0.00 N ATOM 0 H LYS A 46 -2.639 14.559 2.151 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.104 16.085 2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.353 16.851 4.235 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.330 17.295 2.883 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.252 18.787 2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.020 18.484 3.624 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.403 19.664 4.828 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.154 19.395 3.629 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.915 21.653 3.912 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.568 21.448 2.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.659 21.868 1.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.025 20.348 1.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.333 20.458 2.316 1.00 0.00 H new ATOM 760 N PRO A 47 -4.924 16.946 0.206 1.00 0.00 N ATOM 761 CA PRO A 47 -4.876 17.309 -1.214 1.00 0.00 C ATOM 762 C PRO A 47 -3.779 18.327 -1.501 1.00 0.00 C ATOM 763 O PRO A 47 -3.360 19.067 -0.610 1.00 0.00 O ATOM 764 CB PRO A 47 -6.257 17.918 -1.482 1.00 0.00 C ATOM 765 CG PRO A 47 -7.132 17.379 -0.405 1.00 0.00 C ATOM 766 CD PRO A 47 -6.249 17.207 0.797 1.00 0.00 C ATOM 0 HA PRO A 47 -4.652 16.452 -1.849 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.220 19.007 -1.453 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.627 17.638 -2.468 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.954 18.062 -0.191 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.576 16.429 -0.702 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.242 18.099 1.423 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.580 16.380 1.425 1.00 0.00 H new ATOM 774 N GLY A 48 -3.308 18.353 -2.742 1.00 0.00 N ATOM 775 CA GLY A 48 -2.254 19.278 -3.113 1.00 0.00 C ATOM 776 C GLY A 48 -0.880 18.733 -2.780 1.00 0.00 C ATOM 777 O GLY A 48 0.123 19.158 -3.351 1.00 0.00 O ATOM 0 H GLY A 48 -3.637 17.751 -3.497 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.313 19.486 -4.181 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.404 20.225 -2.595 1.00 0.00 H new ATOM 781 N VAL A 49 -0.840 17.782 -1.850 1.00 0.00 N ATOM 782 CA VAL A 49 0.411 17.163 -1.435 1.00 0.00 C ATOM 783 C VAL A 49 0.468 15.709 -1.886 1.00 0.00 C ATOM 784 O VAL A 49 -0.355 14.890 -1.477 1.00 0.00 O ATOM 785 CB VAL A 49 0.594 17.214 0.096 1.00 0.00 C ATOM 786 CG1 VAL A 49 2.036 17.540 0.453 1.00 0.00 C ATOM 787 CG2 VAL A 49 -0.359 18.222 0.723 1.00 0.00 C ATOM 0 H VAL A 49 -1.665 17.424 -1.369 1.00 0.00 H new ATOM 0 HA VAL A 49 1.214 17.730 -1.905 1.00 0.00 H new ATOM 0 HB VAL A 49 0.357 16.230 0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.144 17.571 1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.694 16.773 0.045 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.304 18.510 0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.211 18.240 1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.162 19.213 0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.388 17.936 0.502 1.00 0.00 H new ATOM 797 N VAL A 50 1.438 15.396 -2.737 1.00 0.00 N ATOM 798 CA VAL A 50 1.594 14.040 -3.248 1.00 0.00 C ATOM 799 C VAL A 50 2.328 13.150 -2.251 1.00 0.00 C ATOM 800 O VAL A 50 3.239 13.598 -1.556 1.00 0.00 O ATOM 801 CB VAL A 50 2.363 14.028 -4.582 1.00 0.00 C ATOM 802 CG1 VAL A 50 2.515 12.604 -5.099 1.00 0.00 C ATOM 803 CG2 VAL A 50 1.666 14.906 -5.611 1.00 0.00 C ATOM 0 H VAL A 50 2.127 16.062 -3.087 1.00 0.00 H new ATOM 0 HA VAL A 50 0.589 13.650 -3.407 1.00 0.00 H new ATOM 0 HB VAL A 50 3.359 14.435 -4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.061 12.616 -6.042 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.064 12.009 -4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.529 12.167 -5.256 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.225 14.884 -6.546 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.656 14.533 -5.783 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.617 15.930 -5.242 1.00 0.00 H new ATOM 813 N TYR A 51 1.931 11.884 -2.200 1.00 0.00 N ATOM 814 CA TYR A 51 2.558 10.921 -1.306 1.00 0.00 C ATOM 815 C TYR A 51 3.057 9.718 -2.098 1.00 0.00 C ATOM 816 O TYR A 51 2.271 8.863 -2.505 1.00 0.00 O ATOM 817 CB TYR A 51 1.573 10.466 -0.228 1.00 0.00 C ATOM 818 CG TYR A 51 1.386 11.466 0.891 1.00 0.00 C ATOM 819 CD1 TYR A 51 2.220 11.456 2.004 1.00 0.00 C ATOM 820 CD2 TYR A 51 0.372 12.413 0.841 1.00 0.00 C ATOM 821 CE1 TYR A 51 2.048 12.363 3.032 1.00 0.00 C ATOM 822 CE2 TYR A 51 0.194 13.323 1.865 1.00 0.00 C ATOM 823 CZ TYR A 51 1.034 13.293 2.959 1.00 0.00 C ATOM 824 OH TYR A 51 0.858 14.197 3.982 1.00 0.00 O ATOM 0 H TYR A 51 1.176 11.501 -2.769 1.00 0.00 H new ATOM 0 HA TYR A 51 3.406 11.403 -0.820 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.606 10.270 -0.692 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.921 9.523 0.194 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.015 10.727 2.066 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.289 12.439 -0.013 1.00 0.00 H new ATOM 0 HE1 TYR A 51 2.705 12.343 3.889 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.599 14.054 1.809 1.00 0.00 H new ATOM 0 HH TYR A 51 0.101 14.783 3.774 1.00 0.00 H new ATOM 834 N GLU A 52 4.365 9.656 -2.315 1.00 0.00 N ATOM 835 CA GLU A 52 4.961 8.557 -3.059 1.00 0.00 C ATOM 836 C GLU A 52 5.109 7.337 -2.166 1.00 0.00 C ATOM 837 O GLU A 52 5.622 7.428 -1.053 1.00 0.00 O ATOM 838 CB GLU A 52 6.324 8.967 -3.623 1.00 0.00 C ATOM 839 CG GLU A 52 7.328 9.381 -2.559 1.00 0.00 C ATOM 840 CD GLU A 52 8.724 9.573 -3.118 1.00 0.00 C ATOM 841 OE1 GLU A 52 9.093 8.838 -4.059 1.00 0.00 O ATOM 842 OE2 GLU A 52 9.449 10.457 -2.616 1.00 0.00 O ATOM 0 H GLU A 52 5.032 10.354 -1.986 1.00 0.00 H new ATOM 0 HA GLU A 52 4.303 8.306 -3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.736 8.135 -4.194 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.185 9.794 -4.320 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.996 10.309 -2.093 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.355 8.623 -1.776 1.00 0.00 H new ATOM 849 N GLY A 53 4.644 6.196 -2.658 1.00 0.00 N ATOM 850 CA GLY A 53 4.723 4.975 -1.884 1.00 0.00 C ATOM 851 C GLY A 53 5.194 3.789 -2.698 1.00 0.00 C ATOM 852 O GLY A 53 5.137 3.806 -3.927 1.00 0.00 O ATOM 0 H GLY A 53 4.214 6.095 -3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.403 5.126 -1.045 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.742 4.754 -1.463 1.00 0.00 H new ATOM 856 N GLN A 54 5.654 2.756 -2.003 1.00 0.00 N ATOM 857 CA GLN A 54 6.136 1.545 -2.649 1.00 0.00 C ATOM 858 C GLN A 54 5.538 0.311 -1.981 1.00 0.00 C ATOM 859 O GLN A 54 5.431 0.248 -0.756 1.00 0.00 O ATOM 860 CB GLN A 54 7.666 1.474 -2.591 1.00 0.00 C ATOM 861 CG GLN A 54 8.343 2.829 -2.448 1.00 0.00 C ATOM 862 CD GLN A 54 9.786 2.812 -2.916 1.00 0.00 C ATOM 863 OE1 GLN A 54 10.483 1.807 -2.781 1.00 0.00 O ATOM 864 NE2 GLN A 54 10.242 3.929 -3.470 1.00 0.00 N ATOM 0 H GLN A 54 5.703 2.735 -0.984 1.00 0.00 H new ATOM 0 HA GLN A 54 5.824 1.571 -3.693 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.959 0.843 -1.752 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.032 0.990 -3.497 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.788 3.571 -3.022 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.307 3.141 -1.404 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.630 4.739 -3.562 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.205 3.977 -3.803 1.00 0.00 H new ATOM 873 N LEU A 55 5.156 -0.670 -2.791 1.00 0.00 N ATOM 874 CA LEU A 55 4.579 -1.904 -2.279 1.00 0.00 C ATOM 875 C LEU A 55 5.638 -2.995 -2.246 1.00 0.00 C ATOM 876 O LEU A 55 6.044 -3.513 -3.287 1.00 0.00 O ATOM 877 CB LEU A 55 3.397 -2.338 -3.153 1.00 0.00 C ATOM 878 CG LEU A 55 2.252 -3.036 -2.415 1.00 0.00 C ATOM 879 CD1 LEU A 55 2.691 -4.401 -1.911 1.00 0.00 C ATOM 880 CD2 LEU A 55 1.748 -2.179 -1.263 1.00 0.00 C ATOM 0 H LEU A 55 5.236 -0.633 -3.807 1.00 0.00 H new ATOM 0 HA LEU A 55 4.217 -1.732 -1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.998 -1.458 -3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.768 -3.008 -3.928 1.00 0.00 H new ATOM 0 HG LEU A 55 1.432 -3.177 -3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.862 -4.880 -1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.995 -5.020 -2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.531 -4.283 -1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.935 -2.696 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.561 -2.000 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.387 -1.226 -1.649 1.00 0.00 H new ATOM 892 N ILE A 56 6.092 -3.332 -1.044 1.00 0.00 N ATOM 893 CA ILE A 56 7.116 -4.351 -0.878 1.00 0.00 C ATOM 894 C ILE A 56 6.556 -5.601 -0.217 1.00 0.00 C ATOM 895 O ILE A 56 6.149 -5.574 0.943 1.00 0.00 O ATOM 896 CB ILE A 56 8.299 -3.822 -0.042 1.00 0.00 C ATOM 897 CG1 ILE A 56 8.956 -2.635 -0.748 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.316 -4.927 0.208 1.00 0.00 C ATOM 899 CD1 ILE A 56 8.309 -1.306 -0.423 1.00 0.00 C ATOM 0 H ILE A 56 5.766 -2.914 -0.173 1.00 0.00 H new ATOM 0 HA ILE A 56 7.469 -4.608 -1.877 1.00 0.00 H new ATOM 0 HB ILE A 56 7.919 -3.486 0.923 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.009 -2.595 -0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.916 -2.796 -1.825 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.143 -4.534 0.799 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.839 -5.744 0.749 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.695 -5.295 -0.745 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.826 -0.509 -0.958 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.262 -1.327 -0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.372 -1.123 0.650 1.00 0.00 H new ATOM 911 N SER A 57 6.554 -6.703 -0.959 1.00 0.00 N ATOM 912 CA SER A 57 6.059 -7.968 -0.441 1.00 0.00 C ATOM 913 C SER A 57 7.201 -8.768 0.169 1.00 0.00 C ATOM 914 O SER A 57 8.157 -9.131 -0.515 1.00 0.00 O ATOM 915 CB SER A 57 5.382 -8.769 -1.550 1.00 0.00 C ATOM 916 OG SER A 57 4.845 -7.912 -2.543 1.00 0.00 O ATOM 0 H SER A 57 6.890 -6.743 -1.921 1.00 0.00 H new ATOM 0 HA SER A 57 5.322 -7.763 0.335 1.00 0.00 H new ATOM 0 HB2 SER A 57 6.103 -9.449 -2.003 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.587 -9.383 -1.126 1.00 0.00 H new ATOM 0 HG SER A 57 4.297 -8.435 -3.165 1.00 0.00 H new ATOM 922 N ILE A 58 7.100 -9.025 1.466 1.00 0.00 N ATOM 923 CA ILE A 58 8.131 -9.764 2.183 1.00 0.00 C ATOM 924 C ILE A 58 7.727 -11.217 2.419 1.00 0.00 C ATOM 925 O ILE A 58 6.765 -11.503 3.133 1.00 0.00 O ATOM 926 CB ILE A 58 8.455 -9.101 3.538 1.00 0.00 C ATOM 927 CG1 ILE A 58 8.992 -7.685 3.319 1.00 0.00 C ATOM 928 CG2 ILE A 58 9.461 -9.939 4.316 1.00 0.00 C ATOM 929 CD1 ILE A 58 8.804 -6.776 4.513 1.00 0.00 C ATOM 0 H ILE A 58 6.313 -8.732 2.045 1.00 0.00 H new ATOM 0 HA ILE A 58 9.020 -9.747 1.552 1.00 0.00 H new ATOM 0 HB ILE A 58 7.537 -9.039 4.123 1.00 0.00 H new ATOM 0 HG12 ILE A 58 10.054 -7.741 3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.493 -7.245 2.456 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.677 -9.456 5.269 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.046 -10.930 4.498 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.381 -10.032 3.739 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.208 -5.789 4.286 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.742 -6.690 4.741 1.00 0.00 H new ATOM 0 HD13 ILE A 58 9.327 -7.193 5.374 1.00 0.00 H new ATOM 941 N GLN A 59 8.489 -12.125 1.816 1.00 0.00 N ATOM 942 CA GLN A 59 8.249 -13.557 1.949 1.00 0.00 C ATOM 943 C GLN A 59 9.021 -14.115 3.140 1.00 0.00 C ATOM 944 O GLN A 59 9.647 -13.364 3.888 1.00 0.00 O ATOM 945 CB GLN A 59 8.657 -14.288 0.669 1.00 0.00 C ATOM 946 CG GLN A 59 7.477 -14.760 -0.165 1.00 0.00 C ATOM 947 CD GLN A 59 6.828 -16.010 0.395 1.00 0.00 C ATOM 948 OE1 GLN A 59 5.625 -16.035 0.656 1.00 0.00 O ATOM 949 NE2 GLN A 59 7.623 -17.057 0.583 1.00 0.00 N ATOM 0 H GLN A 59 9.286 -11.890 1.225 1.00 0.00 H new ATOM 0 HA GLN A 59 7.183 -13.714 2.116 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.277 -13.626 0.064 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.272 -15.148 0.932 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.735 -13.964 -0.220 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.812 -14.955 -1.184 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.615 -16.992 0.353 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.242 -17.926 0.957 1.00 0.00 H new ATOM 958 N GLN A 60 8.972 -15.430 3.316 1.00 0.00 N ATOM 959 CA GLN A 60 9.668 -16.077 4.425 1.00 0.00 C ATOM 960 C GLN A 60 11.175 -15.829 4.353 1.00 0.00 C ATOM 961 O GLN A 60 11.872 -15.911 5.365 1.00 0.00 O ATOM 962 CB GLN A 60 9.391 -17.583 4.417 1.00 0.00 C ATOM 963 CG GLN A 60 10.007 -18.309 3.232 1.00 0.00 C ATOM 964 CD GLN A 60 9.388 -19.674 2.996 1.00 0.00 C ATOM 965 OE1 GLN A 60 9.705 -20.640 3.691 1.00 0.00 O ATOM 966 NE2 GLN A 60 8.502 -19.761 2.012 1.00 0.00 N ATOM 0 H GLN A 60 8.460 -16.069 2.708 1.00 0.00 H new ATOM 0 HA GLN A 60 9.293 -15.645 5.353 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.775 -18.019 5.339 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.313 -17.746 4.412 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.887 -17.700 2.336 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.078 -18.424 3.398 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.269 -18.935 1.461 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.054 -20.654 1.807 1.00 0.00 H new ATOM 975 N TYR A 61 11.674 -15.528 3.156 1.00 0.00 N ATOM 976 CA TYR A 61 13.100 -15.271 2.968 1.00 0.00 C ATOM 977 C TYR A 61 13.386 -13.777 2.834 1.00 0.00 C ATOM 978 O TYR A 61 14.477 -13.381 2.420 1.00 0.00 O ATOM 979 CB TYR A 61 13.628 -16.015 1.736 1.00 0.00 C ATOM 980 CG TYR A 61 12.597 -16.210 0.646 1.00 0.00 C ATOM 981 CD1 TYR A 61 12.295 -15.186 -0.242 1.00 0.00 C ATOM 982 CD2 TYR A 61 11.929 -17.419 0.506 1.00 0.00 C ATOM 983 CE1 TYR A 61 11.356 -15.362 -1.241 1.00 0.00 C ATOM 984 CE2 TYR A 61 10.988 -17.603 -0.490 1.00 0.00 C ATOM 985 CZ TYR A 61 10.705 -16.571 -1.360 1.00 0.00 C ATOM 986 OH TYR A 61 9.770 -16.751 -2.352 1.00 0.00 O ATOM 0 H TYR A 61 11.115 -15.456 2.306 1.00 0.00 H new ATOM 0 HA TYR A 61 13.616 -15.640 3.854 1.00 0.00 H new ATOM 0 HB2 TYR A 61 14.475 -15.464 1.327 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.003 -16.990 2.046 1.00 0.00 H new ATOM 0 HD1 TYR A 61 12.802 -14.237 -0.151 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.148 -18.229 1.186 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.134 -14.556 -1.925 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.477 -18.550 -0.586 1.00 0.00 H new ATOM 0 HH TYR A 61 9.406 -17.659 -2.298 1.00 0.00 H new ATOM 996 N GLY A 62 12.406 -12.951 3.190 1.00 0.00 N ATOM 997 CA GLY A 62 12.583 -11.510 3.105 1.00 0.00 C ATOM 998 C GLY A 62 11.885 -10.902 1.904 1.00 0.00 C ATOM 999 O GLY A 62 11.171 -11.591 1.177 1.00 0.00 O ATOM 0 H GLY A 62 11.494 -13.252 3.535 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.200 -11.047 4.015 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.648 -11.282 3.055 1.00 0.00 H new ATOM 1003 N HIS A 63 12.096 -9.603 1.698 1.00 0.00 N ATOM 1004 CA HIS A 63 11.485 -8.887 0.579 1.00 0.00 C ATOM 1005 C HIS A 63 11.755 -9.596 -0.744 1.00 0.00 C ATOM 1006 O HIS A 63 12.658 -10.429 -0.839 1.00 0.00 O ATOM 1007 CB HIS A 63 12.010 -7.450 0.518 1.00 0.00 C ATOM 1008 CG HIS A 63 13.461 -7.348 0.153 1.00 0.00 C ATOM 1009 ND1 HIS A 63 13.907 -6.420 -0.756 1.00 0.00 N ATOM 1010 CD2 HIS A 63 14.516 -8.074 0.598 1.00 0.00 C ATOM 1011 CE1 HIS A 63 15.213 -6.598 -0.845 1.00 0.00 C ATOM 1012 NE2 HIS A 63 15.628 -7.590 -0.043 1.00 0.00 N ATOM 0 H HIS A 63 12.687 -9.023 2.293 1.00 0.00 H new ATOM 0 HA HIS A 63 10.407 -8.869 0.742 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.422 -6.889 -0.209 1.00 0.00 H new ATOM 0 HB3 HIS A 63 11.855 -6.976 1.487 1.00 0.00 H new ATOM 0 HD2 HIS A 63 14.487 -8.878 1.318 1.00 0.00 H new ATOM 0 HE1 HIS A 63 15.864 -6.018 -1.483 1.00 0.00 H new ATOM 0 HE2 HIS A 63 16.586 -7.921 0.069 1.00 0.00 H new ATOM 1020 N GLN A 64 10.964 -9.267 -1.764 1.00 0.00 N ATOM 1021 CA GLN A 64 11.122 -9.886 -3.075 1.00 0.00 C ATOM 1022 C GLN A 64 10.290 -9.170 -4.139 1.00 0.00 C ATOM 1023 O GLN A 64 10.561 -9.293 -5.335 1.00 0.00 O ATOM 1024 CB GLN A 64 10.709 -11.357 -3.006 1.00 0.00 C ATOM 1025 CG GLN A 64 9.296 -11.564 -2.480 1.00 0.00 C ATOM 1026 CD GLN A 64 8.461 -12.452 -3.379 1.00 0.00 C ATOM 1027 OE1 GLN A 64 8.762 -12.618 -4.561 1.00 0.00 O ATOM 1028 NE2 GLN A 64 7.404 -13.031 -2.821 1.00 0.00 N ATOM 0 H GLN A 64 10.213 -8.580 -1.707 1.00 0.00 H new ATOM 0 HA GLN A 64 12.172 -9.808 -3.357 1.00 0.00 H new ATOM 0 HB2 GLN A 64 10.786 -11.795 -4.001 1.00 0.00 H new ATOM 0 HB3 GLN A 64 11.409 -11.894 -2.366 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.344 -12.005 -1.484 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.806 -10.596 -2.376 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.192 -12.865 -1.837 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.804 -13.641 -3.376 1.00 0.00 H new ATOM 1037 N GLU A 65 9.272 -8.435 -3.704 1.00 0.00 N ATOM 1038 CA GLU A 65 8.396 -7.717 -4.625 1.00 0.00 C ATOM 1039 C GLU A 65 8.350 -6.225 -4.306 1.00 0.00 C ATOM 1040 O GLU A 65 8.105 -5.841 -3.167 1.00 0.00 O ATOM 1041 CB GLU A 65 6.985 -8.304 -4.554 1.00 0.00 C ATOM 1042 CG GLU A 65 6.350 -8.541 -5.914 1.00 0.00 C ATOM 1043 CD GLU A 65 5.048 -7.784 -6.090 1.00 0.00 C ATOM 1044 OE1 GLU A 65 5.096 -6.541 -6.209 1.00 0.00 O ATOM 1045 OE2 GLU A 65 3.981 -8.432 -6.110 1.00 0.00 O ATOM 0 H GLU A 65 9.032 -8.320 -2.719 1.00 0.00 H new ATOM 0 HA GLU A 65 8.796 -7.833 -5.632 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.021 -9.248 -4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.350 -7.630 -3.979 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.049 -8.240 -6.694 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.166 -9.607 -6.044 1.00 0.00 H new ATOM 1052 N VAL A 66 8.585 -5.389 -5.317 1.00 0.00 N ATOM 1053 CA VAL A 66 8.562 -3.938 -5.130 1.00 0.00 C ATOM 1054 C VAL A 66 7.788 -3.234 -6.245 1.00 0.00 C ATOM 1055 O VAL A 66 7.989 -3.515 -7.427 1.00 0.00 O ATOM 1056 CB VAL A 66 9.986 -3.357 -5.062 1.00 0.00 C ATOM 1057 CG1 VAL A 66 9.939 -1.858 -4.794 1.00 0.00 C ATOM 1058 CG2 VAL A 66 10.800 -4.072 -3.994 1.00 0.00 C ATOM 0 H VAL A 66 8.793 -5.689 -6.269 1.00 0.00 H new ATOM 0 HA VAL A 66 8.055 -3.759 -4.182 1.00 0.00 H new ATOM 0 HB VAL A 66 10.472 -3.515 -6.025 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.954 -1.464 -4.749 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.393 -1.362 -5.596 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.436 -1.674 -3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.804 -3.650 -3.958 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.319 -3.946 -3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 66 10.861 -5.134 -4.233 1.00 0.00 H new ATOM 1068 N THR A 67 6.908 -2.310 -5.858 1.00 0.00 N ATOM 1069 CA THR A 67 6.107 -1.553 -6.821 1.00 0.00 C ATOM 1070 C THR A 67 6.029 -0.077 -6.431 1.00 0.00 C ATOM 1071 O THR A 67 5.614 0.258 -5.324 1.00 0.00 O ATOM 1072 CB THR A 67 4.680 -2.121 -6.932 1.00 0.00 C ATOM 1073 OG1 THR A 67 4.719 -3.553 -6.904 1.00 0.00 O ATOM 1074 CG2 THR A 67 4.011 -1.654 -8.216 1.00 0.00 C ATOM 0 H THR A 67 6.732 -2.067 -4.883 1.00 0.00 H new ATOM 0 HA THR A 67 6.602 -1.644 -7.788 1.00 0.00 H new ATOM 0 HB THR A 67 4.100 -1.756 -6.084 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.808 -3.906 -6.973 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.004 -2.068 -8.273 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.957 -0.565 -8.223 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.592 -1.994 -9.073 1.00 0.00 H new ATOM 1082 N ARG A 68 6.434 0.805 -7.340 1.00 0.00 N ATOM 1083 CA ARG A 68 6.412 2.243 -7.073 1.00 0.00 C ATOM 1084 C ARG A 68 5.164 2.905 -7.655 1.00 0.00 C ATOM 1085 O ARG A 68 4.795 2.653 -8.803 1.00 0.00 O ATOM 1086 CB ARG A 68 7.664 2.906 -7.647 1.00 0.00 C ATOM 1087 CG ARG A 68 8.921 2.066 -7.497 1.00 0.00 C ATOM 1088 CD ARG A 68 9.900 2.318 -8.630 1.00 0.00 C ATOM 1089 NE ARG A 68 9.732 1.361 -9.721 1.00 0.00 N ATOM 1090 CZ ARG A 68 10.660 1.122 -10.643 1.00 0.00 C ATOM 1091 NH1 ARG A 68 11.813 1.775 -10.613 1.00 0.00 N ATOM 1092 NH2 ARG A 68 10.434 0.229 -11.598 1.00 0.00 N ATOM 0 H ARG A 68 6.781 0.552 -8.265 1.00 0.00 H new ATOM 0 HA ARG A 68 6.392 2.377 -5.991 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.501 3.116 -8.704 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.817 3.865 -7.152 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.400 2.293 -6.544 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.653 1.010 -7.475 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.761 3.330 -9.011 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.919 2.258 -8.249 1.00 0.00 H new ATOM 0 HE ARG A 68 8.853 0.847 -9.779 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.991 2.463 -9.881 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.523 1.589 -11.322 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.548 -0.275 -11.626 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.147 0.047 -12.305 1.00 0.00 H new ATOM 1106 N PHE A 69 4.525 3.759 -6.857 1.00 0.00 N ATOM 1107 CA PHE A 69 3.322 4.466 -7.292 1.00 0.00 C ATOM 1108 C PHE A 69 3.118 5.761 -6.506 1.00 0.00 C ATOM 1109 O PHE A 69 3.639 5.918 -5.403 1.00 0.00 O ATOM 1110 CB PHE A 69 2.085 3.573 -7.141 1.00 0.00 C ATOM 1111 CG PHE A 69 2.064 2.760 -5.874 1.00 0.00 C ATOM 1112 CD1 PHE A 69 2.129 3.377 -4.634 1.00 0.00 C ATOM 1113 CD2 PHE A 69 1.971 1.379 -5.927 1.00 0.00 C ATOM 1114 CE1 PHE A 69 2.104 2.631 -3.471 1.00 0.00 C ATOM 1115 CE2 PHE A 69 1.944 0.628 -4.767 1.00 0.00 C ATOM 1116 CZ PHE A 69 2.012 1.254 -3.538 1.00 0.00 C ATOM 0 H PHE A 69 4.821 3.978 -5.906 1.00 0.00 H new ATOM 0 HA PHE A 69 3.457 4.719 -8.344 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.193 4.198 -7.173 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.032 2.897 -7.994 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.200 4.453 -4.576 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.919 0.884 -6.885 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.156 3.124 -2.511 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.870 -0.448 -4.822 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.993 0.668 -2.631 1.00 0.00 H new ATOM 1126 N ASP A 70 2.341 6.676 -7.079 1.00 0.00 N ATOM 1127 CA ASP A 70 2.040 7.949 -6.433 1.00 0.00 C ATOM 1128 C ASP A 70 0.581 7.964 -5.998 1.00 0.00 C ATOM 1129 O ASP A 70 -0.299 7.569 -6.762 1.00 0.00 O ATOM 1130 CB ASP A 70 2.317 9.114 -7.386 1.00 0.00 C ATOM 1131 CG ASP A 70 3.713 9.063 -7.975 1.00 0.00 C ATOM 1132 OD1 ASP A 70 4.601 8.445 -7.350 1.00 0.00 O ATOM 1133 OD2 ASP A 70 3.920 9.642 -9.063 1.00 0.00 O ATOM 0 H ASP A 70 1.907 6.558 -7.994 1.00 0.00 H new ATOM 0 HA ASP A 70 2.680 8.063 -5.558 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.585 9.101 -8.193 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.186 10.055 -6.852 1.00 0.00 H new ATOM 1138 N PHE A 71 0.321 8.392 -4.767 1.00 0.00 N ATOM 1139 CA PHE A 71 -1.047 8.409 -4.263 1.00 0.00 C ATOM 1140 C PHE A 71 -1.274 9.492 -3.207 1.00 0.00 C ATOM 1141 O PHE A 71 -0.392 9.795 -2.404 1.00 0.00 O ATOM 1142 CB PHE A 71 -1.387 7.034 -3.684 1.00 0.00 C ATOM 1143 CG PHE A 71 -1.091 6.907 -2.214 1.00 0.00 C ATOM 1144 CD1 PHE A 71 0.216 6.844 -1.756 1.00 0.00 C ATOM 1145 CD2 PHE A 71 -2.123 6.853 -1.291 1.00 0.00 C ATOM 1146 CE1 PHE A 71 0.488 6.729 -0.406 1.00 0.00 C ATOM 1147 CE2 PHE A 71 -1.857 6.739 0.060 1.00 0.00 C ATOM 1148 CZ PHE A 71 -0.551 6.676 0.502 1.00 0.00 C ATOM 0 H PHE A 71 1.026 8.726 -4.110 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.704 8.643 -5.100 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.445 6.830 -3.852 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.826 6.273 -4.226 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.032 6.885 -2.463 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.147 6.901 -1.631 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.511 6.681 -0.062 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.670 6.699 0.770 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.342 6.585 1.558 1.00 0.00 H new ATOM 1158 N THR A 72 -2.485 10.050 -3.210 1.00 0.00 N ATOM 1159 CA THR A 72 -2.881 11.075 -2.252 1.00 0.00 C ATOM 1160 C THR A 72 -4.374 10.962 -1.965 1.00 0.00 C ATOM 1161 O THR A 72 -5.149 10.577 -2.842 1.00 0.00 O ATOM 1162 CB THR A 72 -2.576 12.505 -2.748 1.00 0.00 C ATOM 1163 OG1 THR A 72 -3.768 13.112 -3.261 1.00 0.00 O ATOM 1164 CG2 THR A 72 -1.502 12.507 -3.828 1.00 0.00 C ATOM 0 H THR A 72 -3.216 9.803 -3.877 1.00 0.00 H new ATOM 0 HA THR A 72 -2.297 10.905 -1.348 1.00 0.00 H new ATOM 0 HB THR A 72 -2.206 13.077 -1.897 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.184 12.514 -3.916 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.314 13.531 -4.152 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.583 12.079 -3.428 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.839 11.913 -4.678 1.00 0.00 H new ATOM 1172 N THR A 73 -4.784 11.300 -0.750 1.00 0.00 N ATOM 1173 CA THR A 73 -6.196 11.228 -0.389 1.00 0.00 C ATOM 1174 C THR A 73 -6.987 12.313 -1.114 1.00 0.00 C ATOM 1175 O THR A 73 -6.484 13.415 -1.333 1.00 0.00 O ATOM 1176 CB THR A 73 -6.410 11.361 1.134 1.00 0.00 C ATOM 1177 OG1 THR A 73 -7.708 10.869 1.489 1.00 0.00 O ATOM 1178 CG2 THR A 73 -6.274 12.806 1.587 1.00 0.00 C ATOM 0 H THR A 73 -4.168 11.623 -0.004 1.00 0.00 H new ATOM 0 HA THR A 73 -6.556 10.246 -0.695 1.00 0.00 H new ATOM 0 HB THR A 73 -5.642 10.771 1.634 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.837 10.955 2.457 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.430 12.866 2.664 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.276 13.171 1.344 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.018 13.418 1.078 1.00 0.00 H new ATOM 1186 N THR A 74 -8.222 11.990 -1.491 1.00 0.00 N ATOM 1187 CA THR A 74 -9.084 12.932 -2.200 1.00 0.00 C ATOM 1188 C THR A 74 -8.508 13.279 -3.572 1.00 0.00 C ATOM 1189 O THR A 74 -8.908 12.706 -4.585 1.00 0.00 O ATOM 1190 CB THR A 74 -9.292 14.223 -1.395 1.00 0.00 C ATOM 1191 OG1 THR A 74 -9.743 13.911 -0.072 1.00 0.00 O ATOM 1192 CG2 THR A 74 -10.297 15.137 -2.077 1.00 0.00 C ATOM 0 H THR A 74 -8.649 11.080 -1.317 1.00 0.00 H new ATOM 0 HA THR A 74 -10.049 12.442 -2.330 1.00 0.00 H new ATOM 0 HB THR A 74 -8.336 14.743 -1.339 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.871 14.740 0.434 1.00 0.00 H new ATOM 0 HG21 THR A 74 -10.425 16.043 -1.485 1.00 0.00 H new ATOM 0 HG22 THR A 74 -9.934 15.400 -3.070 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.254 14.623 -2.165 1.00 0.00 H new ATOM 1200 N SER A 75 -7.568 14.219 -3.594 1.00 0.00 N ATOM 1201 CA SER A 75 -6.935 14.644 -4.838 1.00 0.00 C ATOM 1202 C SER A 75 -5.978 13.574 -5.360 1.00 0.00 C ATOM 1203 O SER A 75 -5.897 12.477 -4.807 1.00 0.00 O ATOM 1204 CB SER A 75 -6.176 15.956 -4.619 1.00 0.00 C ATOM 1205 OG SER A 75 -5.825 16.558 -5.852 1.00 0.00 O ATOM 0 H SER A 75 -7.227 14.702 -2.763 1.00 0.00 H new ATOM 0 HA SER A 75 -7.717 14.798 -5.581 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.792 16.643 -4.039 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.275 15.765 -4.035 1.00 0.00 H new ATOM 0 HG SER A 75 -5.343 17.394 -5.682 1.00 0.00 H new ATOM 1211 N THR A 76 -5.253 13.904 -6.427 1.00 0.00 N ATOM 1212 CA THR A 76 -4.297 12.976 -7.022 1.00 0.00 C ATOM 1213 C THR A 76 -3.200 13.725 -7.771 1.00 0.00 C ATOM 1214 O THR A 76 -3.229 14.953 -7.868 1.00 0.00 O ATOM 1215 CB THR A 76 -4.984 11.996 -7.989 1.00 0.00 C ATOM 1216 OG1 THR A 76 -6.403 12.189 -7.957 1.00 0.00 O ATOM 1217 CG2 THR A 76 -4.655 10.557 -7.623 1.00 0.00 C ATOM 0 H THR A 76 -5.310 14.808 -6.896 1.00 0.00 H new ATOM 0 HA THR A 76 -3.856 12.411 -6.201 1.00 0.00 H new ATOM 0 HB THR A 76 -4.614 12.193 -8.995 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.832 11.563 -8.576 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.151 9.882 -8.320 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.577 10.405 -7.676 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.001 10.351 -6.610 1.00 0.00 H new ATOM 1225 N SER A 77 -2.231 12.981 -8.295 1.00 0.00 N ATOM 1226 CA SER A 77 -1.122 13.577 -9.032 1.00 0.00 C ATOM 1227 C SER A 77 -1.316 13.424 -10.537 1.00 0.00 C ATOM 1228 O SER A 77 -0.836 14.244 -11.321 1.00 0.00 O ATOM 1229 CB SER A 77 0.201 12.935 -8.608 1.00 0.00 C ATOM 1230 OG SER A 77 0.071 12.272 -7.362 1.00 0.00 O ATOM 0 H SER A 77 -2.191 11.964 -8.223 1.00 0.00 H new ATOM 0 HA SER A 77 -1.096 14.641 -8.798 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.524 12.225 -9.369 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.974 13.700 -8.537 1.00 0.00 H new ATOM 0 HG SER A 77 0.568 11.428 -7.387 1.00 0.00 H new ATOM 1236 N THR A 78 -2.023 12.371 -10.937 1.00 0.00 N ATOM 1237 CA THR A 78 -2.279 12.117 -12.350 1.00 0.00 C ATOM 1238 C THR A 78 -3.601 11.378 -12.548 1.00 0.00 C ATOM 1239 O THR A 78 -3.899 10.424 -11.830 1.00 0.00 O ATOM 1240 CB THR A 78 -1.145 11.292 -12.990 1.00 0.00 C ATOM 1241 OG1 THR A 78 -0.351 10.674 -11.969 1.00 0.00 O ATOM 1242 CG2 THR A 78 -0.263 12.172 -13.863 1.00 0.00 C ATOM 0 H THR A 78 -2.428 11.682 -10.304 1.00 0.00 H new ATOM 0 HA THR A 78 -2.332 13.090 -12.838 1.00 0.00 H new ATOM 0 HB THR A 78 -1.595 10.521 -13.615 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.366 10.151 -12.384 1.00 0.00 H new ATOM 0 HG21 THR A 78 0.530 11.568 -14.304 1.00 0.00 H new ATOM 0 HG22 THR A 78 -0.864 12.617 -14.656 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.178 12.962 -13.255 1.00 0.00 H new ATOM 1250 N PRO A 79 -4.413 11.809 -13.530 1.00 0.00 N ATOM 1251 CA PRO A 79 -5.703 11.183 -13.817 1.00 0.00 C ATOM 1252 C PRO A 79 -5.557 9.913 -14.650 1.00 0.00 C ATOM 1253 O PRO A 79 -5.347 9.973 -15.862 1.00 0.00 O ATOM 1254 CB PRO A 79 -6.436 12.263 -14.609 1.00 0.00 C ATOM 1255 CG PRO A 79 -5.356 13.001 -15.325 1.00 0.00 C ATOM 1256 CD PRO A 79 -4.137 12.943 -14.438 1.00 0.00 C ATOM 0 HA PRO A 79 -6.222 10.867 -12.912 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -7.149 11.827 -15.308 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -6.999 12.924 -13.951 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -5.152 12.546 -16.294 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -5.650 14.034 -15.513 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -3.228 12.779 -15.017 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -4.000 13.873 -13.886 1.00 0.00 H new ATOM 1264 N GLY A 80 -5.667 8.764 -13.991 1.00 0.00 N ATOM 1265 CA GLY A 80 -5.541 7.498 -14.687 1.00 0.00 C ATOM 1266 C GLY A 80 -6.393 6.407 -14.069 1.00 0.00 C ATOM 1267 O GLY A 80 -7.411 6.687 -13.437 1.00 0.00 O ATOM 0 H GLY A 80 -5.841 8.688 -12.989 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.828 7.631 -15.730 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.497 7.186 -14.680 1.00 0.00 H new ATOM 1271 N SER A 81 -5.975 5.160 -14.255 1.00 0.00 N ATOM 1272 CA SER A 81 -6.703 4.019 -13.714 1.00 0.00 C ATOM 1273 C SER A 81 -5.960 3.407 -12.531 1.00 0.00 C ATOM 1274 O SER A 81 -6.306 2.322 -12.062 1.00 0.00 O ATOM 1275 CB SER A 81 -6.915 2.962 -14.799 1.00 0.00 C ATOM 1276 OG SER A 81 -8.079 2.194 -14.545 1.00 0.00 O ATOM 0 H SER A 81 -5.134 4.914 -14.777 1.00 0.00 H new ATOM 0 HA SER A 81 -7.673 4.373 -13.365 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.001 3.447 -15.771 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.046 2.306 -14.846 1.00 0.00 H new ATOM 0 HG SER A 81 -8.192 1.527 -15.254 1.00 0.00 H new ATOM 1282 N ARG A 82 -4.937 4.109 -12.053 1.00 0.00 N ATOM 1283 CA ARG A 82 -4.145 3.635 -10.923 1.00 0.00 C ATOM 1284 C ARG A 82 -4.682 4.198 -9.611 1.00 0.00 C ATOM 1285 O ARG A 82 -3.956 4.290 -8.621 1.00 0.00 O ATOM 1286 CB ARG A 82 -2.677 4.029 -11.096 1.00 0.00 C ATOM 1287 CG ARG A 82 -2.170 3.883 -12.521 1.00 0.00 C ATOM 1288 CD ARG A 82 -0.653 3.790 -12.563 1.00 0.00 C ATOM 1289 NE ARG A 82 -0.170 3.328 -13.862 1.00 0.00 N ATOM 1290 CZ ARG A 82 1.009 3.667 -14.374 1.00 0.00 C ATOM 1291 NH1 ARG A 82 1.825 4.467 -13.699 1.00 0.00 N ATOM 1292 NH2 ARG A 82 1.373 3.207 -15.564 1.00 0.00 N ATOM 0 H ARG A 82 -4.637 5.008 -12.430 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.219 2.548 -10.892 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.548 5.063 -10.778 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.065 3.414 -10.437 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.603 2.991 -12.973 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.500 4.735 -13.116 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -0.223 4.767 -12.343 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -0.310 3.108 -11.785 1.00 0.00 H new ATOM 0 HE ARG A 82 -0.772 2.710 -14.407 1.00 0.00 H new ATOM 0 HH11 ARG A 82 1.548 4.824 -12.784 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.729 4.725 -14.095 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.748 2.593 -16.086 1.00 0.00 H new ATOM 0 HH22 ARG A 82 2.278 3.467 -15.956 1.00 0.00 H new ATOM 1306 N SER A 83 -5.956 4.573 -9.614 1.00 0.00 N ATOM 1307 CA SER A 83 -6.591 5.130 -8.425 1.00 0.00 C ATOM 1308 C SER A 83 -7.528 4.113 -7.780 1.00 0.00 C ATOM 1309 O SER A 83 -7.572 2.951 -8.184 1.00 0.00 O ATOM 1310 CB SER A 83 -7.366 6.398 -8.783 1.00 0.00 C ATOM 1311 OG SER A 83 -6.498 7.406 -9.273 1.00 0.00 O ATOM 0 H SER A 83 -6.569 4.502 -10.426 1.00 0.00 H new ATOM 0 HA SER A 83 -5.808 5.380 -7.709 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.120 6.167 -9.535 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.895 6.765 -7.903 1.00 0.00 H new ATOM 0 HG SER A 83 -7.019 8.206 -9.496 1.00 0.00 H new ATOM 1317 N HIS A 84 -8.277 4.560 -6.776 1.00 0.00 N ATOM 1318 CA HIS A 84 -9.215 3.691 -6.073 1.00 0.00 C ATOM 1319 C HIS A 84 -10.550 3.624 -6.810 1.00 0.00 C ATOM 1320 O HIS A 84 -11.578 4.069 -6.298 1.00 0.00 O ATOM 1321 CB HIS A 84 -9.425 4.186 -4.641 1.00 0.00 C ATOM 1322 CG HIS A 84 -8.306 3.825 -3.714 1.00 0.00 C ATOM 1323 ND1 HIS A 84 -7.996 2.515 -3.442 1.00 0.00 N ATOM 1324 CD2 HIS A 84 -7.459 4.632 -3.030 1.00 0.00 C ATOM 1325 CE1 HIS A 84 -6.974 2.551 -2.606 1.00 0.00 C ATOM 1326 NE2 HIS A 84 -6.613 3.813 -2.326 1.00 0.00 N ATOM 0 H HIS A 84 -8.252 5.520 -6.431 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.792 2.687 -6.040 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -9.541 5.270 -4.653 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.355 3.770 -4.254 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -7.451 5.712 -3.038 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -6.490 1.675 -2.199 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -5.856 4.107 -1.709 1.00 0.00 H new ATOM 1334 N HIS A 85 -10.526 3.063 -8.016 1.00 0.00 N ATOM 1335 CA HIS A 85 -11.731 2.934 -8.829 1.00 0.00 C ATOM 1336 C HIS A 85 -12.720 1.968 -8.185 1.00 0.00 C ATOM 1337 O HIS A 85 -12.371 1.228 -7.266 1.00 0.00 O ATOM 1338 CB HIS A 85 -11.374 2.451 -10.236 1.00 0.00 C ATOM 1339 CG HIS A 85 -11.178 3.563 -11.219 1.00 0.00 C ATOM 1340 ND1 HIS A 85 -12.245 4.224 -11.775 1.00 0.00 N ATOM 1341 CD2 HIS A 85 -10.027 4.086 -11.708 1.00 0.00 C ATOM 1342 CE1 HIS A 85 -11.727 5.129 -12.586 1.00 0.00 C ATOM 1343 NE2 HIS A 85 -10.386 5.084 -12.579 1.00 0.00 N ATOM 0 H HIS A 85 -9.683 2.690 -8.452 1.00 0.00 H new ATOM 0 HA HIS A 85 -12.199 3.916 -8.897 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -10.462 1.856 -10.186 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -12.165 1.793 -10.597 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -9.022 3.777 -11.460 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -12.309 5.818 -13.180 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -9.755 5.677 -13.117 1.00 0.00 H new ATOM 1351 N HIS A 86 -13.957 1.983 -8.678 1.00 0.00 N ATOM 1352 CA HIS A 86 -15.004 1.110 -8.157 1.00 0.00 C ATOM 1353 C HIS A 86 -15.183 1.309 -6.654 1.00 0.00 C ATOM 1354 O HIS A 86 -14.685 0.523 -5.848 1.00 0.00 O ATOM 1355 CB HIS A 86 -14.673 -0.354 -8.456 1.00 0.00 C ATOM 1356 CG HIS A 86 -15.817 -1.117 -9.047 1.00 0.00 C ATOM 1357 ND1 HIS A 86 -16.559 -0.606 -10.084 1.00 0.00 N ATOM 1358 CD2 HIS A 86 -16.303 -2.337 -8.713 1.00 0.00 C ATOM 1359 CE1 HIS A 86 -17.473 -1.519 -10.358 1.00 0.00 C ATOM 1360 NE2 HIS A 86 -17.358 -2.586 -9.553 1.00 0.00 N ATOM 0 H HIS A 86 -14.258 2.592 -9.439 1.00 0.00 H new ATOM 0 HA HIS A 86 -15.939 1.371 -8.652 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -13.827 -0.394 -9.142 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -14.359 -0.843 -7.534 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -15.931 -2.988 -7.935 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -18.219 -1.419 -11.133 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -17.943 -3.422 -9.564 1.00 0.00 H new ATOM 1368 N HIS A 87 -15.898 2.368 -6.285 1.00 0.00 N ATOM 1369 CA HIS A 87 -16.143 2.674 -4.881 1.00 0.00 C ATOM 1370 C HIS A 87 -17.557 2.264 -4.473 1.00 0.00 C ATOM 1371 O HIS A 87 -18.366 3.101 -4.069 1.00 0.00 O ATOM 1372 CB HIS A 87 -15.932 4.167 -4.619 1.00 0.00 C ATOM 1373 CG HIS A 87 -16.541 5.050 -5.664 1.00 0.00 C ATOM 1374 ND1 HIS A 87 -17.838 5.491 -5.561 1.00 0.00 N ATOM 1375 CD2 HIS A 87 -15.996 5.538 -6.805 1.00 0.00 C ATOM 1376 CE1 HIS A 87 -18.053 6.232 -6.632 1.00 0.00 C ATOM 1377 NE2 HIS A 87 -16.966 6.291 -7.417 1.00 0.00 N ATOM 0 H HIS A 87 -16.318 3.028 -6.940 1.00 0.00 H new ATOM 0 HA HIS A 87 -15.434 2.105 -4.280 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -16.357 4.421 -3.648 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -14.863 4.370 -4.562 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -18.499 5.288 -4.811 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -14.992 5.367 -7.163 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -18.987 6.729 -6.849 1.00 0.00 H new ATOM 1385 N HIS A 88 -17.846 0.972 -4.581 1.00 0.00 N ATOM 1386 CA HIS A 88 -19.159 0.449 -4.224 1.00 0.00 C ATOM 1387 C HIS A 88 -19.055 -0.537 -3.064 1.00 0.00 C ATOM 1388 O HIS A 88 -18.014 -1.162 -2.860 1.00 0.00 O ATOM 1389 CB HIS A 88 -19.806 -0.232 -5.432 1.00 0.00 C ATOM 1390 CG HIS A 88 -20.675 0.681 -6.240 1.00 0.00 C ATOM 1391 ND1 HIS A 88 -21.674 1.422 -5.658 1.00 0.00 N ATOM 1392 CD2 HIS A 88 -20.655 0.932 -7.572 1.00 0.00 C ATOM 1393 CE1 HIS A 88 -22.238 2.103 -6.640 1.00 0.00 C ATOM 1394 NE2 HIS A 88 -21.655 1.839 -7.818 1.00 0.00 N ATOM 0 H HIS A 88 -17.188 0.267 -4.913 1.00 0.00 H new ATOM 0 HA HIS A 88 -19.783 1.286 -3.911 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -19.023 -0.636 -6.073 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -20.403 -1.076 -5.086 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -19.982 0.501 -8.299 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -23.064 2.786 -6.510 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -21.906 2.236 -8.723 1.00 0.00 H new ATOM 1402 N HIS A 89 -20.141 -0.673 -2.308 1.00 0.00 N ATOM 1403 CA HIS A 89 -20.171 -1.585 -1.170 1.00 0.00 C ATOM 1404 C HIS A 89 -20.574 -2.989 -1.606 1.00 0.00 C ATOM 1405 O HIS A 89 -20.524 -3.266 -2.823 1.00 0.00 O ATOM 1406 CB HIS A 89 -21.143 -1.072 -0.104 1.00 0.00 C ATOM 1407 CG HIS A 89 -20.480 -0.727 1.193 1.00 0.00 C ATOM 1408 ND1 HIS A 89 -19.726 0.412 1.331 1.00 0.00 N ATOM 1409 CD2 HIS A 89 -20.487 -1.399 2.372 1.00 0.00 C ATOM 1410 CE1 HIS A 89 -19.293 0.411 2.579 1.00 0.00 C ATOM 1411 NE2 HIS A 89 -19.729 -0.667 3.248 1.00 0.00 N ATOM 1412 OXT HIS A 89 -20.937 -3.800 -0.728 1.00 0.00 O ATOM 0 H HIS A 89 -21.011 -0.163 -2.463 1.00 0.00 H new ATOM 0 HA HIS A 89 -19.167 -1.630 -0.747 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -21.656 -0.190 -0.486 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -21.905 -1.831 0.077 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -20.992 -2.331 2.580 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -18.667 1.180 3.007 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -19.534 -0.898 4.222 1.00 0.00 H new TER 1420 HIS A 89