USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 580 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 7 THR OG1 : rot -132:sc= 0.887 USER MOD Set 1.2: A 65 TYR OH : rot 172:sc= 1.89 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -168:sc= -0.0344 (180deg=-0.211) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 20 GLN : amide:sc= -1.12 K(o=-1.1,f=-1.8) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.248 K(o=-0.25,f=-3.5!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 1.24 K(o=1.2,f=-4.1!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -120:sc= 1.26 (180deg=-0.633) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.00359 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 100:sc= 0 USER MOD Single : A 57 SER OG : rot -56:sc= 0.3 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 167:sc= -0.0112 (180deg=-0.171) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.698 2.189 14.360 1.00 0.00 N ATOM 2 CA GLY A 1 14.120 2.474 14.171 1.00 0.00 C ATOM 3 C GLY A 1 14.305 3.432 13.015 1.00 0.00 C ATOM 4 O GLY A 1 13.753 4.532 13.043 1.00 0.00 O ATOM 0 H1 GLY A 1 12.579 1.530 15.156 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.191 3.074 14.564 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.312 1.760 13.495 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.537 2.904 15.081 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.663 1.549 13.978 1.00 0.00 H new ATOM 8 N MET A 2 15.083 3.047 12.004 1.00 0.00 N ATOM 9 CA MET A 2 15.414 3.900 10.860 1.00 0.00 C ATOM 10 C MET A 2 15.572 3.124 9.558 1.00 0.00 C ATOM 11 O MET A 2 15.936 3.699 8.536 1.00 0.00 O ATOM 12 CB MET A 2 16.659 4.735 11.203 1.00 0.00 C ATOM 13 CG MET A 2 17.907 3.870 11.411 1.00 0.00 C ATOM 14 SD MET A 2 19.114 4.594 12.547 1.00 0.00 S ATOM 15 CE MET A 2 20.306 3.237 12.577 1.00 0.00 C ATOM 0 H MET A 2 15.508 2.121 11.955 1.00 0.00 H new ATOM 0 HA MET A 2 14.574 4.570 10.677 1.00 0.00 H new ATOM 0 HB2 MET A 2 16.846 5.449 10.401 1.00 0.00 H new ATOM 0 HB3 MET A 2 16.467 5.313 12.107 1.00 0.00 H new ATOM 0 HG2 MET A 2 17.603 2.895 11.792 1.00 0.00 H new ATOM 0 HG3 MET A 2 18.386 3.701 10.446 1.00 0.00 H new ATOM 0 HE1 MET A 2 21.137 3.497 13.233 1.00 0.00 H new ATOM 0 HE2 MET A 2 19.820 2.334 12.947 1.00 0.00 H new ATOM 0 HE3 MET A 2 20.681 3.060 11.569 1.00 0.00 H new ATOM 25 N VAL A 3 15.239 1.836 9.568 1.00 0.00 N ATOM 26 CA VAL A 3 15.065 1.034 8.366 1.00 0.00 C ATOM 27 C VAL A 3 13.897 1.630 7.575 1.00 0.00 C ATOM 28 O VAL A 3 12.747 1.629 8.024 1.00 0.00 O ATOM 29 CB VAL A 3 14.922 -0.465 8.710 1.00 0.00 C ATOM 30 CG1 VAL A 3 13.898 -0.769 9.812 1.00 0.00 C ATOM 31 CG2 VAL A 3 14.583 -1.309 7.474 1.00 0.00 C ATOM 0 H VAL A 3 15.080 1.313 10.429 1.00 0.00 H new ATOM 0 HA VAL A 3 15.948 1.070 7.728 1.00 0.00 H new ATOM 0 HB VAL A 3 15.905 -0.740 9.093 1.00 0.00 H new ATOM 0 HG11 VAL A 3 13.862 -1.844 9.989 1.00 0.00 H new ATOM 0 HG12 VAL A 3 14.190 -0.259 10.730 1.00 0.00 H new ATOM 0 HG13 VAL A 3 12.914 -0.420 9.500 1.00 0.00 H new ATOM 0 HG21 VAL A 3 14.492 -2.356 7.762 1.00 0.00 H new ATOM 0 HG22 VAL A 3 13.640 -0.967 7.047 1.00 0.00 H new ATOM 0 HG23 VAL A 3 15.376 -1.204 6.733 1.00 0.00 H new ATOM 41 N LYS A 4 14.188 2.209 6.412 1.00 0.00 N ATOM 42 CA LYS A 4 13.201 2.808 5.508 1.00 0.00 C ATOM 43 C LYS A 4 12.959 1.958 4.265 1.00 0.00 C ATOM 44 O LYS A 4 12.369 2.435 3.292 1.00 0.00 O ATOM 45 CB LYS A 4 13.587 4.270 5.183 1.00 0.00 C ATOM 46 CG LYS A 4 13.659 5.234 6.388 1.00 0.00 C ATOM 47 CD LYS A 4 12.559 4.976 7.431 1.00 0.00 C ATOM 48 CE LYS A 4 12.075 6.231 8.143 1.00 0.00 C ATOM 49 NZ LYS A 4 10.780 5.979 8.805 1.00 0.00 N ATOM 0 H LYS A 4 15.143 2.278 6.060 1.00 0.00 H new ATOM 0 HA LYS A 4 12.240 2.834 6.022 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.557 4.267 4.687 1.00 0.00 H new ATOM 0 HB3 LYS A 4 12.865 4.666 4.469 1.00 0.00 H new ATOM 0 HG2 LYS A 4 14.634 5.138 6.865 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.579 6.261 6.030 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.711 4.500 6.939 1.00 0.00 H new ATOM 0 HD3 LYS A 4 12.934 4.271 8.173 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.813 6.546 8.881 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.972 7.046 7.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.462 6.844 9.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.075 5.700 8.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.889 5.215 9.502 1.00 0.00 H new ATOM 63 N GLU A 5 13.368 0.701 4.315 1.00 0.00 N ATOM 64 CA GLU A 5 13.422 -0.235 3.207 1.00 0.00 C ATOM 65 C GLU A 5 12.638 -1.485 3.608 1.00 0.00 C ATOM 66 O GLU A 5 13.192 -2.516 3.992 1.00 0.00 O ATOM 67 CB GLU A 5 14.888 -0.449 2.791 1.00 0.00 C ATOM 68 CG GLU A 5 15.922 -0.645 3.918 1.00 0.00 C ATOM 69 CD GLU A 5 17.378 -0.575 3.436 1.00 0.00 C ATOM 70 OE1 GLU A 5 17.637 -0.112 2.297 1.00 0.00 O ATOM 71 OE2 GLU A 5 18.274 -0.899 4.246 1.00 0.00 O ATOM 0 H GLU A 5 13.692 0.282 5.187 1.00 0.00 H new ATOM 0 HA GLU A 5 12.940 0.138 2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 5 14.930 -1.322 2.140 1.00 0.00 H new ATOM 0 HB3 GLU A 5 15.198 0.409 2.194 1.00 0.00 H new ATOM 0 HG2 GLU A 5 15.764 0.117 4.681 1.00 0.00 H new ATOM 0 HG3 GLU A 5 15.751 -1.611 4.392 1.00 0.00 H new ATOM 78 N THR A 6 11.309 -1.346 3.583 1.00 0.00 N ATOM 79 CA THR A 6 10.344 -2.398 3.872 1.00 0.00 C ATOM 80 C THR A 6 9.291 -2.389 2.761 1.00 0.00 C ATOM 81 O THR A 6 9.014 -1.320 2.201 1.00 0.00 O ATOM 82 CB THR A 6 9.719 -2.160 5.254 1.00 0.00 C ATOM 83 OG1 THR A 6 10.692 -1.714 6.183 1.00 0.00 O ATOM 84 CG2 THR A 6 9.099 -3.444 5.795 1.00 0.00 C ATOM 0 H THR A 6 10.863 -0.459 3.351 1.00 0.00 H new ATOM 0 HA THR A 6 10.823 -3.377 3.899 1.00 0.00 H new ATOM 0 HB THR A 6 8.951 -1.397 5.131 1.00 0.00 H new ATOM 0 HG1 THR A 6 10.269 -1.568 7.055 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.662 -3.252 6.775 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.322 -3.789 5.112 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.869 -4.210 5.885 1.00 0.00 H new ATOM 92 N THR A 7 8.720 -3.556 2.460 1.00 0.00 N ATOM 93 CA THR A 7 7.892 -3.792 1.286 1.00 0.00 C ATOM 94 C THR A 7 6.581 -2.992 1.337 1.00 0.00 C ATOM 95 O THR A 7 6.217 -2.343 2.328 1.00 0.00 O ATOM 96 CB THR A 7 7.661 -5.315 1.119 1.00 0.00 C ATOM 97 OG1 THR A 7 7.063 -5.618 -0.133 1.00 0.00 O ATOM 98 CG2 THR A 7 6.747 -5.885 2.211 1.00 0.00 C ATOM 0 H THR A 7 8.826 -4.384 3.046 1.00 0.00 H new ATOM 0 HA THR A 7 8.416 -3.429 0.402 1.00 0.00 H new ATOM 0 HB THR A 7 8.650 -5.768 1.189 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.311 -6.231 0.004 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.614 -6.955 2.052 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.199 -5.716 3.188 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.777 -5.389 2.169 1.00 0.00 H new ATOM 106 N TYR A 8 5.841 -3.126 0.241 1.00 0.00 N ATOM 107 CA TYR A 8 4.563 -2.511 -0.050 1.00 0.00 C ATOM 108 C TYR A 8 3.549 -2.669 1.090 1.00 0.00 C ATOM 109 O TYR A 8 2.784 -1.739 1.339 1.00 0.00 O ATOM 110 CB TYR A 8 4.074 -3.064 -1.403 1.00 0.00 C ATOM 111 CG TYR A 8 4.951 -2.664 -2.585 1.00 0.00 C ATOM 112 CD1 TYR A 8 5.306 -1.314 -2.790 1.00 0.00 C ATOM 113 CD2 TYR A 8 5.430 -3.646 -3.472 1.00 0.00 C ATOM 114 CE1 TYR A 8 6.117 -0.945 -3.875 1.00 0.00 C ATOM 115 CE2 TYR A 8 6.281 -3.288 -4.533 1.00 0.00 C ATOM 116 CZ TYR A 8 6.629 -1.933 -4.742 1.00 0.00 C ATOM 117 OH TYR A 8 7.427 -1.562 -5.785 1.00 0.00 O ATOM 0 H TYR A 8 6.152 -3.720 -0.528 1.00 0.00 H new ATOM 0 HA TYR A 8 4.680 -1.430 -0.131 1.00 0.00 H new ATOM 0 HB2 TYR A 8 4.031 -4.152 -1.346 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.057 -2.714 -1.582 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.951 -0.558 -2.106 1.00 0.00 H new ATOM 0 HD2 TYR A 8 5.143 -4.678 -3.337 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.349 0.096 -4.046 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.670 -4.051 -5.191 1.00 0.00 H new ATOM 0 HH TYR A 8 7.699 -2.358 -6.288 1.00 0.00 H new ATOM 127 N TYR A 9 3.565 -3.779 1.838 1.00 0.00 N ATOM 128 CA TYR A 9 2.710 -3.944 3.011 1.00 0.00 C ATOM 129 C TYR A 9 2.969 -2.866 4.081 1.00 0.00 C ATOM 130 O TYR A 9 2.010 -2.281 4.588 1.00 0.00 O ATOM 131 CB TYR A 9 2.863 -5.351 3.592 1.00 0.00 C ATOM 132 CG TYR A 9 2.253 -6.443 2.733 1.00 0.00 C ATOM 133 CD1 TYR A 9 0.854 -6.600 2.674 1.00 0.00 C ATOM 134 CD2 TYR A 9 3.079 -7.338 2.032 1.00 0.00 C ATOM 135 CE1 TYR A 9 0.286 -7.652 1.934 1.00 0.00 C ATOM 136 CE2 TYR A 9 2.521 -8.387 1.284 1.00 0.00 C ATOM 137 CZ TYR A 9 1.119 -8.546 1.225 1.00 0.00 C ATOM 138 OH TYR A 9 0.569 -9.562 0.501 1.00 0.00 O ATOM 0 H TYR A 9 4.167 -4.580 1.646 1.00 0.00 H new ATOM 0 HA TYR A 9 1.679 -3.815 2.683 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.923 -5.562 3.731 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.400 -5.378 4.579 1.00 0.00 H new ATOM 0 HD1 TYR A 9 0.214 -5.908 3.201 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.152 -7.218 2.069 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.786 -7.777 1.908 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.165 -9.073 0.753 1.00 0.00 H new ATOM 0 HH TYR A 9 1.281 -10.083 0.074 1.00 0.00 H new ATOM 148 N ASP A 10 4.232 -2.557 4.422 1.00 0.00 N ATOM 149 CA ASP A 10 4.501 -1.532 5.444 1.00 0.00 C ATOM 150 C ASP A 10 4.191 -0.154 4.883 1.00 0.00 C ATOM 151 O ASP A 10 3.763 0.733 5.624 1.00 0.00 O ATOM 152 CB ASP A 10 5.949 -1.508 5.965 1.00 0.00 C ATOM 153 CG ASP A 10 5.988 -1.335 7.501 1.00 0.00 C ATOM 154 OD1 ASP A 10 6.002 -0.194 8.029 1.00 0.00 O ATOM 155 OD2 ASP A 10 6.021 -2.350 8.233 1.00 0.00 O ATOM 0 H ASP A 10 5.062 -2.989 4.017 1.00 0.00 H new ATOM 0 HA ASP A 10 3.858 -1.794 6.284 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.453 -2.434 5.688 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.495 -0.693 5.491 1.00 0.00 H new ATOM 160 N VAL A 11 4.372 0.050 3.574 1.00 0.00 N ATOM 161 CA VAL A 11 3.958 1.292 2.930 1.00 0.00 C ATOM 162 C VAL A 11 2.466 1.499 3.182 1.00 0.00 C ATOM 163 O VAL A 11 2.024 2.547 3.667 1.00 0.00 O ATOM 164 CB VAL A 11 4.317 1.294 1.427 1.00 0.00 C ATOM 165 CG1 VAL A 11 3.710 2.511 0.721 1.00 0.00 C ATOM 166 CG2 VAL A 11 5.835 1.260 1.214 1.00 0.00 C ATOM 0 H VAL A 11 4.801 -0.629 2.945 1.00 0.00 H new ATOM 0 HA VAL A 11 4.501 2.133 3.361 1.00 0.00 H new ATOM 0 HB VAL A 11 3.893 0.390 0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.977 2.489 -0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.625 2.486 0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.096 3.424 1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.053 1.262 0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.287 2.136 1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.246 0.357 1.666 1.00 0.00 H new ATOM 176 N LEU A 12 1.699 0.445 2.934 1.00 0.00 N ATOM 177 CA LEU A 12 0.263 0.401 3.099 1.00 0.00 C ATOM 178 C LEU A 12 -0.167 0.236 4.561 1.00 0.00 C ATOM 179 O LEU A 12 -1.345 -0.048 4.811 1.00 0.00 O ATOM 180 CB LEU A 12 -0.277 -0.750 2.239 1.00 0.00 C ATOM 181 CG LEU A 12 -0.127 -0.496 0.735 1.00 0.00 C ATOM 182 CD1 LEU A 12 -0.355 -1.808 -0.009 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.156 0.531 0.265 1.00 0.00 C ATOM 0 H LEU A 12 2.084 -0.438 2.598 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.153 1.355 2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.248 -1.669 2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.330 -0.907 2.472 1.00 0.00 H new ATOM 0 HG LEU A 12 0.873 -0.112 0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.251 -1.641 -1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.381 -2.544 0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.358 -2.178 0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.037 0.701 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.160 0.157 0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.005 1.468 0.800 1.00 0.00 H new ATOM 195 N GLY A 13 0.751 0.398 5.518 1.00 0.00 N ATOM 196 CA GLY A 13 0.472 0.390 6.944 1.00 0.00 C ATOM 197 C GLY A 13 -0.196 -0.904 7.386 1.00 0.00 C ATOM 198 O GLY A 13 -1.225 -0.861 8.071 1.00 0.00 O ATOM 0 H GLY A 13 1.739 0.542 5.308 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.402 0.525 7.496 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.172 1.234 7.192 1.00 0.00 H new ATOM 202 N VAL A 14 0.345 -2.061 6.997 1.00 0.00 N ATOM 203 CA VAL A 14 -0.118 -3.355 7.466 1.00 0.00 C ATOM 204 C VAL A 14 1.061 -4.329 7.544 1.00 0.00 C ATOM 205 O VAL A 14 2.127 -4.093 6.979 1.00 0.00 O ATOM 206 CB VAL A 14 -1.271 -3.809 6.546 1.00 0.00 C ATOM 207 CG1 VAL A 14 -0.813 -4.465 5.235 1.00 0.00 C ATOM 208 CG2 VAL A 14 -2.265 -4.700 7.277 1.00 0.00 C ATOM 0 H VAL A 14 1.124 -2.119 6.341 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.517 -3.309 8.479 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.775 -2.886 6.260 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.685 -4.754 4.649 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.211 -3.757 4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.218 -5.350 5.460 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.060 -4.996 6.592 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.754 -5.589 7.646 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.694 -4.154 8.117 1.00 0.00 H new ATOM 218 N LYS A 15 0.868 -5.446 8.244 1.00 0.00 N ATOM 219 CA LYS A 15 1.859 -6.504 8.348 1.00 0.00 C ATOM 220 C LYS A 15 1.857 -7.371 7.078 1.00 0.00 C ATOM 221 O LYS A 15 0.813 -7.504 6.438 1.00 0.00 O ATOM 222 CB LYS A 15 1.687 -7.237 9.693 1.00 0.00 C ATOM 223 CG LYS A 15 0.259 -7.581 10.147 1.00 0.00 C ATOM 224 CD LYS A 15 -0.353 -8.688 9.295 1.00 0.00 C ATOM 225 CE LYS A 15 -1.698 -9.208 9.822 1.00 0.00 C ATOM 226 NZ LYS A 15 -1.632 -9.695 11.216 1.00 0.00 N ATOM 0 H LYS A 15 0.009 -5.639 8.758 1.00 0.00 H new ATOM 0 HA LYS A 15 2.873 -6.107 8.380 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.255 -8.166 9.643 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.146 -6.624 10.469 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.274 -7.892 11.192 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.366 -6.690 10.089 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.491 -8.317 8.279 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.350 -9.519 9.238 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.438 -8.410 9.758 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.044 -10.017 9.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.504 -10.214 11.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.814 -10.328 11.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.531 -8.886 11.862 1.00 0.00 H new ATOM 240 N PRO A 16 2.977 -8.009 6.698 1.00 0.00 N ATOM 241 CA PRO A 16 3.116 -8.704 5.411 1.00 0.00 C ATOM 242 C PRO A 16 2.315 -10.007 5.277 1.00 0.00 C ATOM 243 O PRO A 16 2.430 -10.718 4.276 1.00 0.00 O ATOM 244 CB PRO A 16 4.619 -8.923 5.229 1.00 0.00 C ATOM 245 CG PRO A 16 5.163 -8.939 6.653 1.00 0.00 C ATOM 246 CD PRO A 16 4.262 -7.949 7.380 1.00 0.00 C ATOM 0 HA PRO A 16 2.683 -8.091 4.620 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.826 -9.860 4.712 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.070 -8.126 4.638 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.107 -9.934 7.094 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.209 -8.633 6.688 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.159 -8.214 8.432 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.678 -6.942 7.344 1.00 0.00 H new ATOM 254 N ASN A 17 1.505 -10.340 6.281 1.00 0.00 N ATOM 255 CA ASN A 17 0.613 -11.499 6.301 1.00 0.00 C ATOM 256 C ASN A 17 -0.847 -11.085 6.052 1.00 0.00 C ATOM 257 O ASN A 17 -1.739 -11.924 6.183 1.00 0.00 O ATOM 258 CB ASN A 17 0.739 -12.257 7.640 1.00 0.00 C ATOM 259 CG ASN A 17 2.159 -12.701 7.975 1.00 0.00 C ATOM 260 OD1 ASN A 17 3.023 -11.882 8.287 1.00 0.00 O ATOM 261 ND2 ASN A 17 2.448 -13.986 7.907 1.00 0.00 N ATOM 0 H ASN A 17 1.450 -9.788 7.137 1.00 0.00 H new ATOM 0 HA ASN A 17 0.914 -12.166 5.493 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.371 -11.618 8.443 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.093 -13.135 7.610 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.394 -14.308 8.114 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.726 -14.658 7.648 1.00 0.00 H new ATOM 268 N ALA A 18 -1.114 -9.802 5.769 1.00 0.00 N ATOM 269 CA ALA A 18 -2.451 -9.269 5.538 1.00 0.00 C ATOM 270 C ALA A 18 -3.145 -10.017 4.402 1.00 0.00 C ATOM 271 O ALA A 18 -2.566 -10.243 3.337 1.00 0.00 O ATOM 272 CB ALA A 18 -2.356 -7.782 5.195 1.00 0.00 C ATOM 0 H ALA A 18 -0.383 -9.094 5.694 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.039 -9.400 6.446 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.356 -7.384 5.022 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.890 -7.247 6.022 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.754 -7.654 4.295 1.00 0.00 H new ATOM 278 N THR A 19 -4.397 -10.374 4.637 1.00 0.00 N ATOM 279 CA THR A 19 -5.334 -10.878 3.654 1.00 0.00 C ATOM 280 C THR A 19 -5.661 -9.788 2.618 1.00 0.00 C ATOM 281 O THR A 19 -5.480 -8.595 2.881 1.00 0.00 O ATOM 282 CB THR A 19 -6.554 -11.411 4.439 1.00 0.00 C ATOM 283 OG1 THR A 19 -6.811 -10.662 5.608 1.00 0.00 O ATOM 284 CG2 THR A 19 -6.307 -12.849 4.898 1.00 0.00 C ATOM 0 H THR A 19 -4.806 -10.316 5.570 1.00 0.00 H new ATOM 0 HA THR A 19 -4.925 -11.697 3.063 1.00 0.00 H new ATOM 0 HB THR A 19 -7.401 -11.340 3.756 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.591 -11.034 6.070 1.00 0.00 H new ATOM 0 HG21 THR A 19 -7.176 -13.209 5.449 1.00 0.00 H new ATOM 0 HG22 THR A 19 -6.140 -13.485 4.029 1.00 0.00 H new ATOM 0 HG23 THR A 19 -5.429 -12.879 5.544 1.00 0.00 H new ATOM 292 N GLN A 20 -6.172 -10.165 1.441 1.00 0.00 N ATOM 293 CA GLN A 20 -6.488 -9.226 0.362 1.00 0.00 C ATOM 294 C GLN A 20 -7.612 -8.294 0.831 1.00 0.00 C ATOM 295 O GLN A 20 -7.742 -7.152 0.374 1.00 0.00 O ATOM 296 CB GLN A 20 -6.939 -9.919 -0.944 1.00 0.00 C ATOM 297 CG GLN A 20 -6.517 -11.364 -1.251 1.00 0.00 C ATOM 298 CD GLN A 20 -5.108 -11.769 -0.833 1.00 0.00 C ATOM 299 OE1 GLN A 20 -4.940 -12.432 0.183 1.00 0.00 O ATOM 300 NE2 GLN A 20 -4.091 -11.433 -1.602 1.00 0.00 N ATOM 0 H GLN A 20 -6.379 -11.137 1.210 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.571 -8.680 0.138 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.029 -9.892 -0.962 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.592 -9.301 -1.772 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.223 -12.036 -0.763 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.613 -11.526 -2.325 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.249 -10.880 -2.445 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.146 -11.726 -1.354 1.00 0.00 H new ATOM 309 N GLU A 21 -8.446 -8.809 1.730 1.00 0.00 N ATOM 310 CA GLU A 21 -9.567 -8.122 2.330 1.00 0.00 C ATOM 311 C GLU A 21 -9.121 -7.121 3.392 1.00 0.00 C ATOM 312 O GLU A 21 -9.761 -6.079 3.558 1.00 0.00 O ATOM 313 CB GLU A 21 -10.475 -9.173 2.960 1.00 0.00 C ATOM 314 CG GLU A 21 -11.010 -10.157 1.929 1.00 0.00 C ATOM 315 CD GLU A 21 -12.423 -10.586 2.275 1.00 0.00 C ATOM 316 OE1 GLU A 21 -12.691 -10.978 3.431 1.00 0.00 O ATOM 317 OE2 GLU A 21 -13.314 -10.376 1.427 1.00 0.00 O ATOM 0 H GLU A 21 -8.346 -9.765 2.071 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.092 -7.557 1.559 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.923 -9.716 3.727 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.310 -8.679 3.457 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.996 -9.698 0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.361 -11.031 1.883 1.00 0.00 H new ATOM 324 N GLU A 22 -8.035 -7.430 4.103 1.00 0.00 N ATOM 325 CA GLU A 22 -7.453 -6.529 5.080 1.00 0.00 C ATOM 326 C GLU A 22 -6.732 -5.393 4.376 1.00 0.00 C ATOM 327 O GLU A 22 -6.898 -4.243 4.785 1.00 0.00 O ATOM 328 CB GLU A 22 -6.500 -7.288 6.017 1.00 0.00 C ATOM 329 CG GLU A 22 -7.266 -7.993 7.140 1.00 0.00 C ATOM 330 CD GLU A 22 -7.864 -6.999 8.138 1.00 0.00 C ATOM 331 OE1 GLU A 22 -8.913 -6.366 7.865 1.00 0.00 O ATOM 332 OE2 GLU A 22 -7.232 -6.776 9.190 1.00 0.00 O ATOM 0 H GLU A 22 -7.538 -8.316 4.012 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.253 -6.106 5.688 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.933 -8.022 5.445 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.779 -6.592 6.447 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.063 -8.599 6.710 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.595 -8.674 7.664 1.00 0.00 H new ATOM 339 N LEU A 23 -6.009 -5.709 3.295 1.00 0.00 N ATOM 340 CA LEU A 23 -5.371 -4.742 2.413 1.00 0.00 C ATOM 341 C LEU A 23 -6.390 -3.668 2.018 1.00 0.00 C ATOM 342 O LEU A 23 -6.169 -2.485 2.282 1.00 0.00 O ATOM 343 CB LEU A 23 -4.800 -5.443 1.159 1.00 0.00 C ATOM 344 CG LEU A 23 -3.333 -5.907 1.242 1.00 0.00 C ATOM 345 CD1 LEU A 23 -3.032 -6.819 0.046 1.00 0.00 C ATOM 346 CD2 LEU A 23 -2.367 -4.719 1.189 1.00 0.00 C ATOM 0 H LEU A 23 -5.851 -6.675 3.007 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.540 -4.270 2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.421 -6.312 0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.896 -4.762 0.313 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.197 -6.432 2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.996 -7.153 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.694 -7.684 0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.192 -6.268 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.341 -5.081 1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.506 -4.178 0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.566 -4.051 2.027 1.00 0.00 H new ATOM 358 N LYS A 24 -7.520 -4.042 1.398 1.00 0.00 N ATOM 359 CA LYS A 24 -8.465 -3.030 0.910 1.00 0.00 C ATOM 360 C LYS A 24 -9.015 -2.174 2.042 1.00 0.00 C ATOM 361 O LYS A 24 -9.105 -0.954 1.913 1.00 0.00 O ATOM 362 CB LYS A 24 -9.573 -3.649 0.055 1.00 0.00 C ATOM 363 CG LYS A 24 -10.801 -4.237 0.754 1.00 0.00 C ATOM 364 CD LYS A 24 -11.771 -4.843 -0.267 1.00 0.00 C ATOM 365 CE LYS A 24 -13.215 -4.818 0.248 1.00 0.00 C ATOM 366 NZ LYS A 24 -13.878 -3.520 0.014 1.00 0.00 N ATOM 0 H LYS A 24 -7.795 -5.009 1.227 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.907 -2.359 0.257 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.922 -2.883 -0.638 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.124 -4.441 -0.545 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.489 -5.002 1.464 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.307 -3.459 1.326 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.708 -4.289 -1.204 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.478 -5.870 -0.484 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.785 -5.607 -0.242 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.220 -5.037 1.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.851 -3.556 0.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.352 -2.768 0.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -13.899 -3.320 -1.006 1.00 0.00 H new ATOM 380 N LYS A 25 -9.382 -2.821 3.147 1.00 0.00 N ATOM 381 CA LYS A 25 -9.851 -2.130 4.352 1.00 0.00 C ATOM 382 C LYS A 25 -8.844 -1.070 4.816 1.00 0.00 C ATOM 383 O LYS A 25 -9.265 0.050 5.108 1.00 0.00 O ATOM 384 CB LYS A 25 -10.186 -3.099 5.494 1.00 0.00 C ATOM 385 CG LYS A 25 -11.698 -3.275 5.714 1.00 0.00 C ATOM 386 CD LYS A 25 -11.967 -3.698 7.162 1.00 0.00 C ATOM 387 CE LYS A 25 -13.443 -3.546 7.546 1.00 0.00 C ATOM 388 NZ LYS A 25 -13.632 -3.553 9.013 1.00 0.00 N ATOM 0 H LYS A 25 -9.364 -3.837 3.235 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.778 -1.627 4.077 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.741 -4.071 5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.731 -2.736 6.416 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.217 -2.342 5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.090 -4.026 5.028 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.663 -4.736 7.298 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.355 -3.096 7.834 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.832 -2.615 7.134 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.020 -4.357 7.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.643 -3.448 9.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.284 -4.452 9.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.102 -2.764 9.435 1.00 0.00 H new ATOM 402 N ALA A 26 -7.552 -1.407 4.886 1.00 0.00 N ATOM 403 CA ALA A 26 -6.484 -0.493 5.291 1.00 0.00 C ATOM 404 C ALA A 26 -6.416 0.721 4.360 1.00 0.00 C ATOM 405 O ALA A 26 -6.323 1.857 4.817 1.00 0.00 O ATOM 406 CB ALA A 26 -5.146 -1.232 5.285 1.00 0.00 C ATOM 0 H ALA A 26 -7.215 -2.342 4.658 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.699 -0.135 6.298 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.352 -0.549 5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.189 -2.069 5.982 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.941 -1.606 4.282 1.00 0.00 H new ATOM 412 N TYR A 27 -6.493 0.470 3.052 1.00 0.00 N ATOM 413 CA TYR A 27 -6.289 1.472 2.013 1.00 0.00 C ATOM 414 C TYR A 27 -7.265 2.626 2.174 1.00 0.00 C ATOM 415 O TYR A 27 -6.849 3.779 2.207 1.00 0.00 O ATOM 416 CB TYR A 27 -6.388 0.833 0.624 1.00 0.00 C ATOM 417 CG TYR A 27 -6.226 1.840 -0.496 1.00 0.00 C ATOM 418 CD1 TYR A 27 -7.348 2.509 -1.019 1.00 0.00 C ATOM 419 CD2 TYR A 27 -4.940 2.169 -0.950 1.00 0.00 C ATOM 420 CE1 TYR A 27 -7.187 3.482 -2.020 1.00 0.00 C ATOM 421 CE2 TYR A 27 -4.763 3.172 -1.923 1.00 0.00 C ATOM 422 CZ TYR A 27 -5.893 3.816 -2.476 1.00 0.00 C ATOM 423 OH TYR A 27 -5.752 4.761 -3.442 1.00 0.00 O ATOM 0 H TYR A 27 -6.704 -0.457 2.681 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.284 1.882 2.117 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.623 0.063 0.528 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.354 0.337 0.525 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.335 2.274 -0.650 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.081 1.650 -0.551 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.052 3.974 -2.440 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.769 3.447 -2.245 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.801 4.880 -3.647 1.00 0.00 H new ATOM 433 N ARG A 28 -8.553 2.317 2.334 1.00 0.00 N ATOM 434 CA ARG A 28 -9.636 3.280 2.546 1.00 0.00 C ATOM 435 C ARG A 28 -9.259 4.335 3.586 1.00 0.00 C ATOM 436 O ARG A 28 -9.142 5.519 3.281 1.00 0.00 O ATOM 437 CB ARG A 28 -10.883 2.480 2.962 1.00 0.00 C ATOM 438 CG ARG A 28 -11.866 2.286 1.811 1.00 0.00 C ATOM 439 CD ARG A 28 -12.778 3.500 1.676 1.00 0.00 C ATOM 440 NE ARG A 28 -13.894 3.191 0.781 1.00 0.00 N ATOM 441 CZ ARG A 28 -15.037 3.865 0.689 1.00 0.00 C ATOM 442 NH1 ARG A 28 -15.249 4.929 1.461 1.00 0.00 N ATOM 443 NH2 ARG A 28 -15.951 3.436 -0.168 1.00 0.00 N ATOM 0 H ARG A 28 -8.883 1.352 2.319 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.836 3.834 1.629 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.575 1.505 3.340 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.385 2.996 3.781 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.319 2.129 0.881 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.465 1.392 1.983 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.157 3.791 2.656 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.214 4.348 1.288 1.00 0.00 H new ATOM 0 HE ARG A 28 -13.785 2.382 0.170 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -14.534 5.228 2.124 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -16.126 5.445 1.389 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -15.769 2.609 -0.736 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -16.837 3.933 -0.260 1.00 0.00 H new ATOM 457 N LYS A 29 -9.061 3.902 4.827 1.00 0.00 N ATOM 458 CA LYS A 29 -8.760 4.776 5.958 1.00 0.00 C ATOM 459 C LYS A 29 -7.409 5.483 5.820 1.00 0.00 C ATOM 460 O LYS A 29 -7.197 6.486 6.501 1.00 0.00 O ATOM 461 CB LYS A 29 -8.848 3.965 7.262 1.00 0.00 C ATOM 462 CG LYS A 29 -7.952 2.713 7.212 1.00 0.00 C ATOM 463 CD LYS A 29 -8.156 1.767 8.383 1.00 0.00 C ATOM 464 CE LYS A 29 -7.509 2.335 9.650 1.00 0.00 C ATOM 465 NZ LYS A 29 -8.280 1.987 10.854 1.00 0.00 N ATOM 0 H LYS A 29 -9.106 2.915 5.081 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.503 5.573 5.978 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.551 4.593 8.102 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.882 3.667 7.437 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.146 2.175 6.284 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.908 3.025 7.187 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.222 1.611 8.550 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.723 0.794 8.152 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.493 1.951 9.744 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.434 3.419 9.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.813 2.388 11.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.242 2.375 10.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.330 0.952 10.947 1.00 0.00 H new ATOM 479 N LEU A 30 -6.484 4.991 4.993 1.00 0.00 N ATOM 480 CA LEU A 30 -5.232 5.668 4.671 1.00 0.00 C ATOM 481 C LEU A 30 -5.489 6.764 3.641 1.00 0.00 C ATOM 482 O LEU A 30 -5.106 7.906 3.872 1.00 0.00 O ATOM 483 CB LEU A 30 -4.177 4.642 4.190 1.00 0.00 C ATOM 484 CG LEU A 30 -2.973 4.372 5.117 1.00 0.00 C ATOM 485 CD1 LEU A 30 -3.205 4.664 6.604 1.00 0.00 C ATOM 486 CD2 LEU A 30 -2.460 2.943 4.975 1.00 0.00 C ATOM 0 H LEU A 30 -6.589 4.093 4.521 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.829 6.145 5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.685 3.694 4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.792 4.981 3.228 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.228 5.088 4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.297 4.441 7.165 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.461 5.716 6.733 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.022 4.044 6.974 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.612 2.793 5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.255 2.244 5.234 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.145 2.770 3.946 1.00 0.00 H new ATOM 498 N ALA A 31 -6.174 6.452 2.541 1.00 0.00 N ATOM 499 CA ALA A 31 -6.559 7.390 1.493 1.00 0.00 C ATOM 500 C ALA A 31 -7.293 8.594 2.083 1.00 0.00 C ATOM 501 O ALA A 31 -6.923 9.737 1.832 1.00 0.00 O ATOM 502 CB ALA A 31 -7.416 6.652 0.455 1.00 0.00 C ATOM 0 H ALA A 31 -6.487 5.500 2.350 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.667 7.777 1.000 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.709 7.345 -0.334 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.840 5.834 0.023 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.308 6.253 0.937 1.00 0.00 H new ATOM 508 N LEU A 32 -8.305 8.341 2.917 1.00 0.00 N ATOM 509 CA LEU A 32 -9.041 9.398 3.593 1.00 0.00 C ATOM 510 C LEU A 32 -8.176 10.135 4.629 1.00 0.00 C ATOM 511 O LEU A 32 -8.481 11.272 4.966 1.00 0.00 O ATOM 512 CB LEU A 32 -10.305 8.828 4.265 1.00 0.00 C ATOM 513 CG LEU A 32 -11.512 8.664 3.318 1.00 0.00 C ATOM 514 CD1 LEU A 32 -11.500 7.376 2.486 1.00 0.00 C ATOM 515 CD2 LEU A 32 -12.805 8.676 4.144 1.00 0.00 C ATOM 0 H LEU A 32 -8.632 7.400 3.138 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.333 10.124 2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.065 7.857 4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.591 9.483 5.088 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.452 9.497 2.618 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.385 7.345 1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.605 7.353 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.501 6.513 3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.662 8.560 3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.787 7.854 4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.886 9.622 4.680 1.00 0.00 H new ATOM 527 N LYS A 33 -7.130 9.540 5.207 1.00 0.00 N ATOM 528 CA LYS A 33 -6.251 10.227 6.151 1.00 0.00 C ATOM 529 C LYS A 33 -5.381 11.218 5.389 1.00 0.00 C ATOM 530 O LYS A 33 -5.475 12.428 5.610 1.00 0.00 O ATOM 531 CB LYS A 33 -5.425 9.210 6.955 1.00 0.00 C ATOM 532 CG LYS A 33 -4.460 9.921 7.899 1.00 0.00 C ATOM 533 CD LYS A 33 -4.176 9.110 9.162 1.00 0.00 C ATOM 534 CE LYS A 33 -3.380 7.843 8.836 1.00 0.00 C ATOM 535 NZ LYS A 33 -3.434 6.881 9.952 1.00 0.00 N ATOM 0 H LYS A 33 -6.870 8.569 5.033 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.841 10.787 6.876 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.091 8.565 7.527 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.867 8.568 6.273 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.523 10.115 7.377 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.876 10.889 8.178 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.619 9.721 9.872 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.116 8.839 9.643 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.780 7.381 7.933 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.343 8.105 8.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.887 6.032 9.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.031 7.317 10.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.423 6.615 10.133 1.00 0.00 H new ATOM 549 N TYR A 34 -4.574 10.699 4.469 1.00 0.00 N ATOM 550 CA TYR A 34 -3.631 11.442 3.651 1.00 0.00 C ATOM 551 C TYR A 34 -4.331 12.218 2.527 1.00 0.00 C ATOM 552 O TYR A 34 -3.665 12.621 1.576 1.00 0.00 O ATOM 553 CB TYR A 34 -2.580 10.456 3.111 1.00 0.00 C ATOM 554 CG TYR A 34 -1.797 9.741 4.204 1.00 0.00 C ATOM 555 CD1 TYR A 34 -0.883 10.464 4.993 1.00 0.00 C ATOM 556 CD2 TYR A 34 -1.989 8.369 4.455 1.00 0.00 C ATOM 557 CE1 TYR A 34 -0.145 9.822 6.004 1.00 0.00 C ATOM 558 CE2 TYR A 34 -1.257 7.722 5.459 1.00 0.00 C ATOM 559 CZ TYR A 34 -0.328 8.442 6.236 1.00 0.00 C ATOM 560 OH TYR A 34 0.378 7.815 7.218 1.00 0.00 O ATOM 0 H TYR A 34 -4.562 9.699 4.266 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.137 12.199 4.260 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -3.077 9.714 2.487 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.883 10.996 2.470 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.747 11.521 4.821 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.705 7.812 3.870 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.559 10.383 6.600 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.405 6.667 5.638 1.00 0.00 H new ATOM 0 HH TYR A 34 0.131 6.867 7.244 1.00 0.00 H new ATOM 570 N HIS A 35 -5.655 12.424 2.595 1.00 0.00 N ATOM 571 CA HIS A 35 -6.367 13.126 1.539 1.00 0.00 C ATOM 572 C HIS A 35 -5.774 14.537 1.445 1.00 0.00 C ATOM 573 O HIS A 35 -5.610 15.177 2.488 1.00 0.00 O ATOM 574 CB HIS A 35 -7.853 13.221 1.927 1.00 0.00 C ATOM 575 CG HIS A 35 -8.801 13.209 0.764 1.00 0.00 C ATOM 576 ND1 HIS A 35 -9.337 14.304 0.125 1.00 0.00 N ATOM 577 CD2 HIS A 35 -9.334 12.088 0.193 1.00 0.00 C ATOM 578 CE1 HIS A 35 -10.157 13.854 -0.835 1.00 0.00 C ATOM 579 NE2 HIS A 35 -10.234 12.513 -0.792 1.00 0.00 N ATOM 0 H HIS A 35 -6.243 12.113 3.368 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.274 12.607 0.585 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.097 12.389 2.587 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -8.009 14.137 2.497 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.104 11.065 0.453 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -10.681 14.480 -1.542 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.833 11.919 -1.366 1.00 0.00 H new ATOM 587 N PRO A 36 -5.632 15.107 0.244 1.00 0.00 N ATOM 588 CA PRO A 36 -4.983 16.402 0.098 1.00 0.00 C ATOM 589 C PRO A 36 -5.883 17.541 0.589 1.00 0.00 C ATOM 590 O PRO A 36 -5.389 18.548 1.091 1.00 0.00 O ATOM 591 CB PRO A 36 -4.640 16.507 -1.389 1.00 0.00 C ATOM 592 CG PRO A 36 -5.643 15.585 -2.075 1.00 0.00 C ATOM 593 CD PRO A 36 -5.906 14.495 -1.045 1.00 0.00 C ATOM 0 HA PRO A 36 -4.085 16.488 0.710 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.733 17.532 -1.747 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.614 16.193 -1.583 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.558 16.116 -2.337 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.238 15.172 -2.999 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.936 14.142 -1.101 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.263 13.631 -1.214 1.00 0.00 H new ATOM 601 N ASP A 37 -7.201 17.337 0.491 1.00 0.00 N ATOM 602 CA ASP A 37 -8.280 18.268 0.817 1.00 0.00 C ATOM 603 C ASP A 37 -8.082 18.991 2.150 1.00 0.00 C ATOM 604 O ASP A 37 -8.363 20.184 2.251 1.00 0.00 O ATOM 605 CB ASP A 37 -9.589 17.479 0.837 1.00 0.00 C ATOM 606 CG ASP A 37 -10.827 18.367 0.903 1.00 0.00 C ATOM 607 OD1 ASP A 37 -11.287 18.663 2.026 1.00 0.00 O ATOM 608 OD2 ASP A 37 -11.408 18.596 -0.183 1.00 0.00 O ATOM 0 H ASP A 37 -7.567 16.446 0.155 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.293 19.049 0.057 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.644 16.857 -0.056 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.587 16.806 1.695 1.00 0.00 H new ATOM 613 N LYS A 38 -7.576 18.286 3.167 1.00 0.00 N ATOM 614 CA LYS A 38 -7.229 18.856 4.464 1.00 0.00 C ATOM 615 C LYS A 38 -5.834 18.427 4.917 1.00 0.00 C ATOM 616 O LYS A 38 -5.564 18.377 6.119 1.00 0.00 O ATOM 617 CB LYS A 38 -8.284 18.468 5.496 1.00 0.00 C ATOM 618 CG LYS A 38 -9.678 19.010 5.161 1.00 0.00 C ATOM 619 CD LYS A 38 -10.540 19.117 6.420 1.00 0.00 C ATOM 620 CE LYS A 38 -10.553 17.770 7.147 1.00 0.00 C ATOM 621 NZ LYS A 38 -11.300 17.799 8.413 1.00 0.00 N ATOM 0 H LYS A 38 -7.394 17.284 3.106 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.210 19.941 4.366 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.331 17.381 5.569 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.981 18.840 6.475 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.588 19.990 4.693 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.163 18.354 4.438 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.148 19.893 7.077 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.556 19.408 6.154 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.990 17.016 6.492 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.526 17.463 7.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.271 16.858 8.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.870 18.496 9.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.288 18.063 8.227 1.00 0.00 H new ATOM 635 N ASN A 39 -4.968 18.018 3.992 1.00 0.00 N ATOM 636 CA ASN A 39 -3.592 17.644 4.310 1.00 0.00 C ATOM 637 C ASN A 39 -2.694 17.904 3.097 1.00 0.00 C ATOM 638 O ASN A 39 -2.159 16.966 2.506 1.00 0.00 O ATOM 639 CB ASN A 39 -3.542 16.182 4.777 1.00 0.00 C ATOM 640 CG ASN A 39 -2.247 15.821 5.481 1.00 0.00 C ATOM 641 OD1 ASN A 39 -1.206 16.468 5.346 1.00 0.00 O ATOM 642 ND2 ASN A 39 -2.303 14.757 6.262 1.00 0.00 N ATOM 0 H ASN A 39 -5.200 17.937 3.002 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.217 18.256 5.130 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.378 15.994 5.450 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.674 15.528 3.915 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.473 14.453 6.771 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.177 14.239 6.356 1.00 0.00 H new ATOM 649 N PRO A 40 -2.512 19.172 2.689 1.00 0.00 N ATOM 650 CA PRO A 40 -1.725 19.516 1.512 1.00 0.00 C ATOM 651 C PRO A 40 -0.243 19.185 1.699 1.00 0.00 C ATOM 652 O PRO A 40 0.476 19.062 0.711 1.00 0.00 O ATOM 653 CB PRO A 40 -1.938 21.018 1.293 1.00 0.00 C ATOM 654 CG PRO A 40 -2.332 21.541 2.672 1.00 0.00 C ATOM 655 CD PRO A 40 -3.074 20.365 3.295 1.00 0.00 C ATOM 0 HA PRO A 40 -2.044 18.936 0.646 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.032 21.500 0.927 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.719 21.207 0.556 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.458 21.822 3.260 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.966 22.425 2.601 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.945 20.351 4.377 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.145 20.433 3.103 1.00 0.00 H new ATOM 663 N ASN A 41 0.221 19.021 2.944 1.00 0.00 N ATOM 664 CA ASN A 41 1.589 18.612 3.236 1.00 0.00 C ATOM 665 C ASN A 41 1.804 17.172 2.797 1.00 0.00 C ATOM 666 O ASN A 41 2.735 16.897 2.048 1.00 0.00 O ATOM 667 CB ASN A 41 1.908 18.776 4.730 1.00 0.00 C ATOM 668 CG ASN A 41 2.787 19.996 4.940 1.00 0.00 C ATOM 669 OD1 ASN A 41 3.975 19.974 4.635 1.00 0.00 O ATOM 670 ND2 ASN A 41 2.220 21.099 5.393 1.00 0.00 N ATOM 0 H ASN A 41 -0.349 19.170 3.777 1.00 0.00 H new ATOM 0 HA ASN A 41 2.269 19.257 2.679 1.00 0.00 H new ATOM 0 HB2 ASN A 41 0.984 18.881 5.299 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.413 17.885 5.103 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.771 21.951 5.494 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.231 21.099 5.642 1.00 0.00 H new ATOM 677 N GLU A 42 0.966 16.240 3.257 1.00 0.00 N ATOM 678 CA GLU A 42 1.123 14.821 2.938 1.00 0.00 C ATOM 679 C GLU A 42 0.471 14.469 1.591 1.00 0.00 C ATOM 680 O GLU A 42 0.360 13.287 1.271 1.00 0.00 O ATOM 681 CB GLU A 42 0.620 13.944 4.097 1.00 0.00 C ATOM 682 CG GLU A 42 1.434 14.186 5.381 1.00 0.00 C ATOM 683 CD GLU A 42 1.029 13.255 6.530 1.00 0.00 C ATOM 684 OE1 GLU A 42 -0.169 13.153 6.864 1.00 0.00 O ATOM 685 OE2 GLU A 42 1.916 12.611 7.135 1.00 0.00 O ATOM 0 H GLU A 42 0.166 16.446 3.856 1.00 0.00 H new ATOM 0 HA GLU A 42 2.186 14.610 2.820 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.432 14.157 4.286 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.687 12.893 3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.493 14.048 5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.305 15.221 5.697 1.00 0.00 H new ATOM 692 N GLY A 43 0.075 15.466 0.790 1.00 0.00 N ATOM 693 CA GLY A 43 -0.560 15.279 -0.506 1.00 0.00 C ATOM 694 C GLY A 43 0.288 14.432 -1.458 1.00 0.00 C ATOM 695 O GLY A 43 -0.276 13.617 -2.193 1.00 0.00 O ATOM 0 H GLY A 43 0.194 16.448 1.038 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.530 14.801 -0.366 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.746 16.253 -0.959 1.00 0.00 H new ATOM 699 N GLU A 44 1.620 14.561 -1.429 1.00 0.00 N ATOM 700 CA GLU A 44 2.503 13.685 -2.204 1.00 0.00 C ATOM 701 C GLU A 44 2.346 12.247 -1.724 1.00 0.00 C ATOM 702 O GLU A 44 2.220 11.340 -2.533 1.00 0.00 O ATOM 703 CB GLU A 44 3.989 14.077 -2.074 1.00 0.00 C ATOM 704 CG GLU A 44 4.392 15.365 -2.800 1.00 0.00 C ATOM 705 CD GLU A 44 3.962 16.616 -2.039 1.00 0.00 C ATOM 706 OE1 GLU A 44 4.651 17.010 -1.068 1.00 0.00 O ATOM 707 OE2 GLU A 44 2.925 17.211 -2.424 1.00 0.00 O ATOM 0 H GLU A 44 2.109 15.265 -0.876 1.00 0.00 H new ATOM 0 HA GLU A 44 2.212 13.788 -3.249 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.228 14.186 -1.016 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.599 13.258 -2.456 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.473 15.379 -2.937 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.944 15.375 -3.794 1.00 0.00 H new ATOM 714 N LYS A 45 2.318 12.034 -0.408 1.00 0.00 N ATOM 715 CA LYS A 45 2.430 10.724 0.225 1.00 0.00 C ATOM 716 C LYS A 45 1.303 9.775 -0.157 1.00 0.00 C ATOM 717 O LYS A 45 1.465 8.562 -0.037 1.00 0.00 O ATOM 718 CB LYS A 45 2.441 10.922 1.740 1.00 0.00 C ATOM 719 CG LYS A 45 3.279 9.837 2.429 1.00 0.00 C ATOM 720 CD LYS A 45 2.987 9.795 3.926 1.00 0.00 C ATOM 721 CE LYS A 45 3.324 11.147 4.566 1.00 0.00 C ATOM 722 NZ LYS A 45 3.759 11.033 5.966 1.00 0.00 N ATOM 0 H LYS A 45 2.213 12.793 0.265 1.00 0.00 H new ATOM 0 HA LYS A 45 3.354 10.263 -0.125 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.845 11.906 1.979 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.420 10.896 2.121 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.061 8.866 1.984 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.339 10.032 2.266 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.937 9.556 4.093 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.572 9.005 4.397 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.110 11.630 3.986 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.448 11.794 4.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.111 11.572 6.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.752 10.033 6.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.722 11.414 6.062 1.00 0.00 H new ATOM 736 N PHE A 46 0.169 10.297 -0.619 1.00 0.00 N ATOM 737 CA PHE A 46 -0.894 9.483 -1.205 1.00 0.00 C ATOM 738 C PHE A 46 -0.324 8.613 -2.332 1.00 0.00 C ATOM 739 O PHE A 46 -0.674 7.437 -2.435 1.00 0.00 O ATOM 740 CB PHE A 46 -2.003 10.404 -1.748 1.00 0.00 C ATOM 741 CG PHE A 46 -3.425 9.859 -1.731 1.00 0.00 C ATOM 742 CD1 PHE A 46 -3.763 8.663 -2.396 1.00 0.00 C ATOM 743 CD2 PHE A 46 -4.447 10.609 -1.119 1.00 0.00 C ATOM 744 CE1 PHE A 46 -5.097 8.220 -2.436 1.00 0.00 C ATOM 745 CE2 PHE A 46 -5.785 10.180 -1.178 1.00 0.00 C ATOM 746 CZ PHE A 46 -6.109 8.988 -1.839 1.00 0.00 C ATOM 0 H PHE A 46 -0.039 11.295 -0.598 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.316 8.829 -0.441 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.988 11.329 -1.171 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.753 10.666 -2.776 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.991 8.082 -2.879 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -4.201 11.523 -0.599 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.343 7.289 -2.926 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.562 10.769 -0.714 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.137 8.660 -1.889 1.00 0.00 H new ATOM 756 N LYS A 47 0.573 9.170 -3.148 1.00 0.00 N ATOM 757 CA LYS A 47 1.147 8.499 -4.309 1.00 0.00 C ATOM 758 C LYS A 47 1.948 7.248 -3.939 1.00 0.00 C ATOM 759 O LYS A 47 2.042 6.332 -4.755 1.00 0.00 O ATOM 760 CB LYS A 47 1.991 9.498 -5.122 1.00 0.00 C ATOM 761 CG LYS A 47 1.621 9.414 -6.605 1.00 0.00 C ATOM 762 CD LYS A 47 2.470 10.371 -7.445 1.00 0.00 C ATOM 763 CE LYS A 47 1.824 10.481 -8.826 1.00 0.00 C ATOM 764 NZ LYS A 47 2.693 11.161 -9.799 1.00 0.00 N ATOM 0 H LYS A 47 0.925 10.118 -3.015 1.00 0.00 H new ATOM 0 HA LYS A 47 0.323 8.145 -4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.824 10.511 -4.754 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.051 9.282 -4.991 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.762 8.393 -6.960 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.565 9.653 -6.733 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.524 11.350 -6.970 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.492 10.001 -7.530 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.584 9.483 -9.192 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.883 11.024 -8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.211 11.211 -10.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.902 12.123 -9.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.581 10.630 -9.902 1.00 0.00 H new ATOM 778 N GLN A 48 2.511 7.152 -2.731 1.00 0.00 N ATOM 779 CA GLN A 48 3.115 5.917 -2.238 1.00 0.00 C ATOM 780 C GLN A 48 2.063 4.821 -2.076 1.00 0.00 C ATOM 781 O GLN A 48 2.358 3.656 -2.346 1.00 0.00 O ATOM 782 CB GLN A 48 3.780 6.169 -0.873 1.00 0.00 C ATOM 783 CG GLN A 48 5.211 6.699 -0.978 1.00 0.00 C ATOM 784 CD GLN A 48 6.225 5.610 -0.654 1.00 0.00 C ATOM 785 OE1 GLN A 48 6.474 4.711 -1.460 1.00 0.00 O ATOM 786 NE2 GLN A 48 6.820 5.651 0.522 1.00 0.00 N ATOM 0 H GLN A 48 2.559 7.928 -2.071 1.00 0.00 H new ATOM 0 HA GLN A 48 3.859 5.593 -2.966 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.177 6.882 -0.311 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.787 5.239 -0.304 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.389 7.078 -1.985 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.342 7.538 -0.294 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.603 6.402 1.178 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.497 4.932 0.776 1.00 0.00 H new ATOM 795 N ILE A 49 0.874 5.186 -1.593 1.00 0.00 N ATOM 796 CA ILE A 49 -0.191 4.271 -1.215 1.00 0.00 C ATOM 797 C ILE A 49 -0.743 3.616 -2.486 1.00 0.00 C ATOM 798 O ILE A 49 -0.908 2.399 -2.523 1.00 0.00 O ATOM 799 CB ILE A 49 -1.307 5.004 -0.420 1.00 0.00 C ATOM 800 CG1 ILE A 49 -0.788 6.003 0.634 1.00 0.00 C ATOM 801 CG2 ILE A 49 -2.211 3.985 0.296 1.00 0.00 C ATOM 802 CD1 ILE A 49 -1.935 6.801 1.263 1.00 0.00 C ATOM 0 H ILE A 49 0.623 6.164 -1.451 1.00 0.00 H new ATOM 0 HA ILE A 49 0.205 3.500 -0.554 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.856 5.575 -1.169 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.248 5.464 1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.079 6.688 0.170 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.988 4.513 0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.673 3.328 -0.441 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.613 3.391 0.988 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.533 7.495 2.001 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.458 7.359 0.487 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.630 6.117 1.749 1.00 0.00 H new ATOM 814 N SER A 50 -1.048 4.398 -3.523 1.00 0.00 N ATOM 815 CA SER A 50 -1.514 3.878 -4.805 1.00 0.00 C ATOM 816 C SER A 50 -0.460 2.953 -5.417 1.00 0.00 C ATOM 817 O SER A 50 -0.789 1.841 -5.827 1.00 0.00 O ATOM 818 CB SER A 50 -1.863 5.041 -5.744 1.00 0.00 C ATOM 819 OG SER A 50 -0.961 6.111 -5.553 1.00 0.00 O ATOM 0 H SER A 50 -0.978 5.415 -3.495 1.00 0.00 H new ATOM 0 HA SER A 50 -2.418 3.288 -4.650 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.825 4.705 -6.780 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.882 5.377 -5.555 1.00 0.00 H new ATOM 0 HG SER A 50 -1.193 6.846 -6.158 1.00 0.00 H new ATOM 825 N GLN A 51 0.804 3.385 -5.450 1.00 0.00 N ATOM 826 CA GLN A 51 1.905 2.613 -6.005 1.00 0.00 C ATOM 827 C GLN A 51 2.018 1.247 -5.330 1.00 0.00 C ATOM 828 O GLN A 51 2.156 0.228 -6.005 1.00 0.00 O ATOM 829 CB GLN A 51 3.209 3.397 -5.823 1.00 0.00 C ATOM 830 CG GLN A 51 4.289 2.971 -6.817 1.00 0.00 C ATOM 831 CD GLN A 51 4.181 3.841 -8.061 1.00 0.00 C ATOM 832 OE1 GLN A 51 4.695 4.954 -8.061 1.00 0.00 O ATOM 833 NE2 GLN A 51 3.460 3.421 -9.091 1.00 0.00 N ATOM 0 H GLN A 51 1.089 4.294 -5.085 1.00 0.00 H new ATOM 0 HA GLN A 51 1.716 2.446 -7.065 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.009 4.462 -5.942 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.577 3.254 -4.807 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.277 3.075 -6.368 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.167 1.920 -7.080 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.040 2.492 -9.074 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.326 4.027 -9.900 1.00 0.00 H new ATOM 842 N ALA A 52 1.972 1.231 -3.999 1.00 0.00 N ATOM 843 CA ALA A 52 2.113 0.007 -3.241 1.00 0.00 C ATOM 844 C ALA A 52 0.918 -0.910 -3.449 1.00 0.00 C ATOM 845 O ALA A 52 1.102 -2.118 -3.610 1.00 0.00 O ATOM 846 CB ALA A 52 2.306 0.357 -1.768 1.00 0.00 C ATOM 0 H ALA A 52 1.837 2.064 -3.427 1.00 0.00 H new ATOM 0 HA ALA A 52 2.988 -0.539 -3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.413 -0.559 -1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.202 0.966 -1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.440 0.914 -1.410 1.00 0.00 H new ATOM 852 N TYR A 53 -0.299 -0.357 -3.461 1.00 0.00 N ATOM 853 CA TYR A 53 -1.476 -1.171 -3.709 1.00 0.00 C ATOM 854 C TYR A 53 -1.423 -1.750 -5.127 1.00 0.00 C ATOM 855 O TYR A 53 -1.922 -2.846 -5.332 1.00 0.00 O ATOM 856 CB TYR A 53 -2.771 -0.383 -3.479 1.00 0.00 C ATOM 857 CG TYR A 53 -3.887 -1.313 -3.043 1.00 0.00 C ATOM 858 CD1 TYR A 53 -4.561 -2.116 -3.979 1.00 0.00 C ATOM 859 CD2 TYR A 53 -4.159 -1.477 -1.677 1.00 0.00 C ATOM 860 CE1 TYR A 53 -5.494 -3.083 -3.564 1.00 0.00 C ATOM 861 CE2 TYR A 53 -5.125 -2.401 -1.252 1.00 0.00 C ATOM 862 CZ TYR A 53 -5.779 -3.229 -2.188 1.00 0.00 C ATOM 863 OH TYR A 53 -6.656 -4.173 -1.752 1.00 0.00 O ATOM 0 H TYR A 53 -0.486 0.633 -3.304 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.476 -1.994 -2.995 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.609 0.381 -2.719 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.057 0.134 -4.395 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.360 -1.989 -5.032 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.622 -0.888 -0.948 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.989 -3.709 -4.292 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.369 -2.479 -0.203 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.161 -4.950 -1.419 1.00 0.00 H new ATOM 873 N GLU A 54 -0.834 -1.048 -6.103 1.00 0.00 N ATOM 874 CA GLU A 54 -0.854 -1.452 -7.509 1.00 0.00 C ATOM 875 C GLU A 54 -0.163 -2.799 -7.699 1.00 0.00 C ATOM 876 O GLU A 54 -0.711 -3.687 -8.347 1.00 0.00 O ATOM 877 CB GLU A 54 -0.225 -0.362 -8.389 1.00 0.00 C ATOM 878 CG GLU A 54 0.005 -0.840 -9.829 1.00 0.00 C ATOM 879 CD GLU A 54 0.276 0.332 -10.764 1.00 0.00 C ATOM 880 OE1 GLU A 54 -0.713 0.906 -11.274 1.00 0.00 O ATOM 881 OE2 GLU A 54 1.463 0.655 -11.003 1.00 0.00 O ATOM 0 H GLU A 54 -0.328 -0.179 -5.935 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.891 -1.574 -7.821 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.873 0.514 -8.398 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.725 -0.051 -7.955 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.847 -1.531 -9.855 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.870 -1.390 -10.176 1.00 0.00 H new ATOM 888 N VAL A 55 1.023 -2.979 -7.120 1.00 0.00 N ATOM 889 CA VAL A 55 1.761 -4.238 -7.222 1.00 0.00 C ATOM 890 C VAL A 55 0.937 -5.392 -6.637 1.00 0.00 C ATOM 891 O VAL A 55 1.082 -6.536 -7.062 1.00 0.00 O ATOM 892 CB VAL A 55 3.141 -4.082 -6.555 1.00 0.00 C ATOM 893 CG1 VAL A 55 3.983 -5.363 -6.674 1.00 0.00 C ATOM 894 CG2 VAL A 55 3.910 -2.922 -7.220 1.00 0.00 C ATOM 0 H VAL A 55 1.497 -2.262 -6.571 1.00 0.00 H new ATOM 0 HA VAL A 55 1.934 -4.486 -8.269 1.00 0.00 H new ATOM 0 HB VAL A 55 2.972 -3.877 -5.498 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.948 -5.210 -6.191 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.461 -6.188 -6.189 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.138 -5.600 -7.727 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.886 -2.814 -6.746 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.043 -3.134 -8.281 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.345 -1.997 -7.103 1.00 0.00 H new ATOM 904 N LEU A 56 0.033 -5.087 -5.709 1.00 0.00 N ATOM 905 CA LEU A 56 -0.855 -6.035 -5.059 1.00 0.00 C ATOM 906 C LEU A 56 -2.248 -6.087 -5.714 1.00 0.00 C ATOM 907 O LEU A 56 -3.056 -6.919 -5.307 1.00 0.00 O ATOM 908 CB LEU A 56 -0.951 -5.667 -3.562 1.00 0.00 C ATOM 909 CG LEU A 56 0.403 -5.542 -2.827 1.00 0.00 C ATOM 910 CD1 LEU A 56 0.181 -5.060 -1.395 1.00 0.00 C ATOM 911 CD2 LEU A 56 1.171 -6.864 -2.765 1.00 0.00 C ATOM 0 H LEU A 56 -0.103 -4.131 -5.379 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.440 -7.037 -5.172 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.485 -4.721 -3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.552 -6.423 -3.056 1.00 0.00 H new ATOM 0 HG LEU A 56 0.994 -4.826 -3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.141 -4.976 -0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.308 -4.086 -1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.449 -5.774 -0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.113 -6.713 -2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.574 -7.607 -2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.374 -7.215 -3.777 1.00 0.00 H new ATOM 923 N SER A 57 -2.583 -5.240 -6.694 1.00 0.00 N ATOM 924 CA SER A 57 -3.956 -5.147 -7.180 1.00 0.00 C ATOM 925 C SER A 57 -4.212 -6.202 -8.258 1.00 0.00 C ATOM 926 O SER A 57 -5.188 -6.954 -8.190 1.00 0.00 O ATOM 927 CB SER A 57 -4.293 -3.703 -7.597 1.00 0.00 C ATOM 928 OG SER A 57 -3.715 -3.248 -8.810 1.00 0.00 O ATOM 0 H SER A 57 -1.925 -4.616 -7.160 1.00 0.00 H new ATOM 0 HA SER A 57 -4.652 -5.378 -6.374 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.376 -3.615 -7.680 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.979 -3.034 -6.796 1.00 0.00 H new ATOM 0 HG SER A 57 -2.741 -3.345 -8.765 1.00 0.00 H new ATOM 934 N ASP A 58 -3.325 -6.261 -9.250 1.00 0.00 N ATOM 935 CA ASP A 58 -3.373 -7.237 -10.336 1.00 0.00 C ATOM 936 C ASP A 58 -2.896 -8.575 -9.788 1.00 0.00 C ATOM 937 O ASP A 58 -1.843 -8.613 -9.143 1.00 0.00 O ATOM 938 CB ASP A 58 -2.418 -6.801 -11.445 1.00 0.00 C ATOM 939 CG ASP A 58 -2.710 -7.445 -12.800 1.00 0.00 C ATOM 940 OD1 ASP A 58 -2.722 -8.691 -12.894 1.00 0.00 O ATOM 941 OD2 ASP A 58 -2.812 -6.715 -13.810 1.00 0.00 O ATOM 0 H ASP A 58 -2.537 -5.618 -9.322 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.387 -7.315 -10.729 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.469 -5.717 -11.550 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.398 -7.045 -11.150 1.00 0.00 H new ATOM 946 N ALA A 59 -3.607 -9.674 -10.044 1.00 0.00 N ATOM 947 CA ALA A 59 -3.138 -10.969 -9.575 1.00 0.00 C ATOM 948 C ALA A 59 -1.870 -11.406 -10.309 1.00 0.00 C ATOM 949 O ALA A 59 -1.152 -12.250 -9.782 1.00 0.00 O ATOM 950 CB ALA A 59 -4.222 -12.034 -9.709 1.00 0.00 C ATOM 0 H ALA A 59 -4.487 -9.691 -10.560 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.896 -10.858 -8.518 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.840 -12.990 -9.350 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.091 -11.745 -9.117 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.511 -12.129 -10.756 1.00 0.00 H new ATOM 956 N LYS A 60 -1.559 -10.854 -11.490 1.00 0.00 N ATOM 957 CA LYS A 60 -0.294 -11.079 -12.180 1.00 0.00 C ATOM 958 C LYS A 60 0.821 -10.304 -11.486 1.00 0.00 C ATOM 959 O LYS A 60 1.868 -10.882 -11.196 1.00 0.00 O ATOM 960 CB LYS A 60 -0.425 -10.677 -13.643 1.00 0.00 C ATOM 961 CG LYS A 60 0.750 -11.245 -14.440 1.00 0.00 C ATOM 962 CD LYS A 60 0.674 -10.693 -15.860 1.00 0.00 C ATOM 963 CE LYS A 60 1.737 -11.335 -16.755 1.00 0.00 C ATOM 964 NZ LYS A 60 1.288 -12.630 -17.296 1.00 0.00 N ATOM 0 H LYS A 60 -2.191 -10.232 -11.994 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.040 -12.138 -12.143 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.366 -11.048 -14.049 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.446 -9.591 -13.731 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.695 -10.967 -13.974 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.709 -12.334 -14.453 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.317 -10.880 -16.274 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.813 -9.612 -15.842 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.975 -10.661 -17.577 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.655 -11.478 -16.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.035 -13.033 -17.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.085 -13.282 -16.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.427 -12.490 -17.862 1.00 0.00 H new ATOM 978 N LYS A 61 0.618 -9.008 -11.198 1.00 0.00 N ATOM 979 CA LYS A 61 1.622 -8.237 -10.464 1.00 0.00 C ATOM 980 C LYS A 61 1.893 -8.922 -9.129 1.00 0.00 C ATOM 981 O LYS A 61 3.068 -9.154 -8.819 1.00 0.00 O ATOM 982 CB LYS A 61 1.251 -6.758 -10.238 1.00 0.00 C ATOM 983 CG LYS A 61 1.144 -5.925 -11.524 1.00 0.00 C ATOM 984 CD LYS A 61 1.132 -4.406 -11.261 1.00 0.00 C ATOM 985 CE LYS A 61 2.520 -3.758 -11.127 1.00 0.00 C ATOM 986 NZ LYS A 61 3.333 -3.866 -12.359 1.00 0.00 N ATOM 0 H LYS A 61 -0.218 -8.484 -11.459 1.00 0.00 H new ATOM 0 HA LYS A 61 2.517 -8.217 -11.086 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.299 -6.712 -9.710 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.999 -6.304 -9.587 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.982 -6.168 -12.178 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.234 -6.203 -12.055 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.596 -3.916 -12.074 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.569 -4.215 -10.347 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.400 -2.706 -10.869 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.056 -4.229 -10.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.155 -3.232 -12.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.661 -4.846 -12.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.756 -3.595 -13.181 1.00 0.00 H new ATOM 1000 N ARG A 62 0.842 -9.287 -8.380 1.00 0.00 N ATOM 1001 CA ARG A 62 1.074 -9.989 -7.117 1.00 0.00 C ATOM 1002 C ARG A 62 1.738 -11.352 -7.360 1.00 0.00 C ATOM 1003 O ARG A 62 2.623 -11.705 -6.591 1.00 0.00 O ATOM 1004 CB ARG A 62 -0.173 -10.104 -6.215 1.00 0.00 C ATOM 1005 CG ARG A 62 0.301 -10.389 -4.771 1.00 0.00 C ATOM 1006 CD ARG A 62 -0.754 -10.811 -3.747 1.00 0.00 C ATOM 1007 NE ARG A 62 -1.503 -9.701 -3.137 1.00 0.00 N ATOM 1008 CZ ARG A 62 -2.709 -9.240 -3.492 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -3.360 -9.697 -4.553 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -3.307 -8.320 -2.746 1.00 0.00 N ATOM 0 H ARG A 62 -0.136 -9.116 -8.615 1.00 0.00 H new ATOM 0 HA ARG A 62 1.765 -9.364 -6.551 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.754 -9.182 -6.250 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.824 -10.904 -6.566 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.058 -11.172 -4.815 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.792 -9.491 -4.396 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.461 -11.484 -4.232 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.265 -11.378 -2.955 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.052 -9.228 -2.354 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.943 -10.426 -5.132 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.277 -9.320 -4.790 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.848 -7.967 -1.906 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.226 -7.966 -3.012 1.00 0.00 H new ATOM 1024 N GLU A 63 1.372 -12.107 -8.403 1.00 0.00 N ATOM 1025 CA GLU A 63 1.904 -13.455 -8.640 1.00 0.00 C ATOM 1026 C GLU A 63 3.431 -13.457 -8.700 1.00 0.00 C ATOM 1027 O GLU A 63 4.058 -14.350 -8.119 1.00 0.00 O ATOM 1028 CB GLU A 63 1.287 -14.059 -9.915 1.00 0.00 C ATOM 1029 CG GLU A 63 1.938 -15.363 -10.388 1.00 0.00 C ATOM 1030 CD GLU A 63 1.206 -15.986 -11.574 1.00 0.00 C ATOM 1031 OE1 GLU A 63 0.015 -16.345 -11.414 1.00 0.00 O ATOM 1032 OE2 GLU A 63 1.805 -16.127 -12.663 1.00 0.00 O ATOM 0 H GLU A 63 0.699 -11.801 -9.106 1.00 0.00 H new ATOM 0 HA GLU A 63 1.621 -14.083 -7.795 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.227 -14.242 -9.737 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.354 -13.324 -10.717 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.974 -15.168 -10.666 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.958 -16.075 -9.563 1.00 0.00 H new ATOM 1039 N LEU A 64 4.028 -12.472 -9.380 1.00 0.00 N ATOM 1040 CA LEU A 64 5.479 -12.408 -9.519 1.00 0.00 C ATOM 1041 C LEU A 64 6.106 -11.820 -8.260 1.00 0.00 C ATOM 1042 O LEU A 64 7.164 -12.282 -7.858 1.00 0.00 O ATOM 1043 CB LEU A 64 5.888 -11.599 -10.758 1.00 0.00 C ATOM 1044 CG LEU A 64 5.872 -12.422 -12.057 1.00 0.00 C ATOM 1045 CD1 LEU A 64 4.478 -12.914 -12.433 1.00 0.00 C ATOM 1046 CD2 LEU A 64 6.432 -11.587 -13.208 1.00 0.00 C ATOM 0 H LEU A 64 3.527 -11.712 -9.840 1.00 0.00 H new ATOM 0 HA LEU A 64 5.850 -13.424 -9.652 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.214 -10.749 -10.867 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.889 -11.195 -10.605 1.00 0.00 H new ATOM 0 HG LEU A 64 6.493 -13.300 -11.878 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.532 -13.488 -13.358 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.088 -13.547 -11.636 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.816 -12.059 -12.574 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.418 -12.176 -14.125 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.821 -10.694 -13.341 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.457 -11.295 -12.980 1.00 0.00 H new ATOM 1058 N TYR A 65 5.479 -10.820 -7.639 1.00 0.00 N ATOM 1059 CA TYR A 65 5.856 -10.257 -6.344 1.00 0.00 C ATOM 1060 C TYR A 65 6.012 -11.359 -5.293 1.00 0.00 C ATOM 1061 O TYR A 65 7.046 -11.442 -4.631 1.00 0.00 O ATOM 1062 CB TYR A 65 4.820 -9.192 -5.973 1.00 0.00 C ATOM 1063 CG TYR A 65 4.861 -8.721 -4.540 1.00 0.00 C ATOM 1064 CD1 TYR A 65 5.766 -7.717 -4.157 1.00 0.00 C ATOM 1065 CD2 TYR A 65 3.963 -9.264 -3.599 1.00 0.00 C ATOM 1066 CE1 TYR A 65 5.752 -7.229 -2.840 1.00 0.00 C ATOM 1067 CE2 TYR A 65 3.957 -8.793 -2.275 1.00 0.00 C ATOM 1068 CZ TYR A 65 4.855 -7.766 -1.891 1.00 0.00 C ATOM 1069 OH TYR A 65 4.863 -7.286 -0.618 1.00 0.00 O ATOM 0 H TYR A 65 4.661 -10.362 -8.042 1.00 0.00 H new ATOM 0 HA TYR A 65 6.833 -9.776 -6.394 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.960 -8.330 -6.625 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.826 -9.589 -6.179 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.471 -7.321 -4.873 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.278 -10.044 -3.896 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.430 -6.440 -2.552 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.271 -9.212 -1.553 1.00 0.00 H new ATOM 0 HH TYR A 65 4.107 -7.663 -0.122 1.00 0.00 H new ATOM 1079 N ASP A 66 5.019 -12.235 -5.186 1.00 0.00 N ATOM 1080 CA ASP A 66 4.874 -13.303 -4.199 1.00 0.00 C ATOM 1081 C ASP A 66 6.079 -14.237 -4.130 1.00 0.00 C ATOM 1082 O ASP A 66 6.378 -14.764 -3.058 1.00 0.00 O ATOM 1083 CB ASP A 66 3.655 -14.110 -4.620 1.00 0.00 C ATOM 1084 CG ASP A 66 3.200 -15.179 -3.632 1.00 0.00 C ATOM 1085 OD1 ASP A 66 2.521 -14.833 -2.632 1.00 0.00 O ATOM 1086 OD2 ASP A 66 3.359 -16.371 -3.980 1.00 0.00 O ATOM 0 H ASP A 66 4.233 -12.217 -5.836 1.00 0.00 H new ATOM 0 HA ASP A 66 4.779 -12.854 -3.210 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.827 -13.422 -4.790 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.871 -14.591 -5.574 1.00 0.00 H new ATOM 1091 N LYS A 67 6.789 -14.430 -5.245 1.00 0.00 N ATOM 1092 CA LYS A 67 8.030 -15.218 -5.285 1.00 0.00 C ATOM 1093 C LYS A 67 9.246 -14.464 -5.833 1.00 0.00 C ATOM 1094 O LYS A 67 10.267 -15.082 -6.135 1.00 0.00 O ATOM 1095 CB LYS A 67 7.799 -16.572 -5.972 1.00 0.00 C ATOM 1096 CG LYS A 67 7.678 -16.529 -7.502 1.00 0.00 C ATOM 1097 CD LYS A 67 7.564 -17.962 -8.043 1.00 0.00 C ATOM 1098 CE LYS A 67 7.753 -18.007 -9.561 1.00 0.00 C ATOM 1099 NZ LYS A 67 7.460 -19.358 -10.104 1.00 0.00 N ATOM 0 H LYS A 67 6.521 -14.044 -6.150 1.00 0.00 H new ATOM 0 HA LYS A 67 8.298 -15.413 -4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.622 -17.237 -5.709 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.889 -17.014 -5.566 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.803 -15.948 -7.793 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.548 -16.033 -7.933 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.312 -18.593 -7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.588 -18.373 -7.785 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.098 -17.274 -10.032 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.777 -17.727 -9.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.597 -19.355 -11.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.102 -20.053 -9.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.476 -19.613 -9.887 1.00 0.00 H new ATOM 1113 N GLY A 68 9.163 -13.148 -6.008 1.00 0.00 N ATOM 1114 CA GLY A 68 10.195 -12.445 -6.740 1.00 0.00 C ATOM 1115 C GLY A 68 10.089 -10.940 -6.613 1.00 0.00 C ATOM 1116 O GLY A 68 10.821 -10.341 -5.822 1.00 0.00 O ATOM 0 H GLY A 68 8.405 -12.562 -5.658 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.172 -12.767 -6.379 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.138 -12.720 -7.793 1.00 0.00 H new ATOM 1120 N GLY A 69 9.188 -10.326 -7.382 1.00 0.00 N ATOM 1121 CA GLY A 69 8.991 -8.885 -7.357 1.00 0.00 C ATOM 1122 C GLY A 69 9.967 -8.098 -8.217 1.00 0.00 C ATOM 1123 O GLY A 69 9.807 -6.880 -8.292 1.00 0.00 O ATOM 0 H GLY A 69 8.578 -10.817 -8.036 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.976 -8.664 -7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.073 -8.538 -6.327 1.00 0.00 H new ATOM 1127 N GLU A 70 10.928 -8.730 -8.899 1.00 0.00 N ATOM 1128 CA GLU A 70 11.914 -8.051 -9.714 1.00 0.00 C ATOM 1129 C GLU A 70 12.435 -9.034 -10.768 1.00 0.00 C ATOM 1130 O GLU A 70 13.588 -8.930 -11.182 1.00 0.00 O ATOM 1131 CB GLU A 70 13.011 -7.458 -8.814 1.00 0.00 C ATOM 1132 CG GLU A 70 13.635 -6.226 -9.484 1.00 0.00 C ATOM 1133 CD GLU A 70 14.662 -5.557 -8.579 1.00 0.00 C ATOM 1134 OE1 GLU A 70 15.821 -6.015 -8.540 1.00 0.00 O ATOM 1135 OE2 GLU A 70 14.319 -4.534 -7.947 1.00 0.00 O ATOM 0 H GLU A 70 11.036 -9.744 -8.893 1.00 0.00 H new ATOM 0 HA GLU A 70 11.480 -7.207 -10.250 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.589 -7.181 -7.848 1.00 0.00 H new ATOM 0 HB3 GLU A 70 13.780 -8.207 -8.624 1.00 0.00 H new ATOM 0 HG2 GLU A 70 14.111 -6.521 -10.419 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.851 -5.512 -9.736 1.00 0.00 H new ATOM 1142 N GLN A 71 11.551 -9.941 -11.228 1.00 0.00 N ATOM 1143 CA GLN A 71 11.775 -10.973 -12.247 1.00 0.00 C ATOM 1144 C GLN A 71 13.091 -11.697 -12.003 1.00 0.00 C ATOM 1145 O GLN A 71 13.331 -12.079 -10.839 1.00 0.00 O ATOM 1146 CB GLN A 71 11.610 -10.406 -13.673 1.00 0.00 C ATOM 1147 CG GLN A 71 12.414 -9.121 -13.888 1.00 0.00 C ATOM 1148 CD GLN A 71 12.424 -8.651 -15.332 1.00 0.00 C ATOM 1149 OE1 GLN A 71 11.690 -7.735 -15.701 1.00 0.00 O ATOM 1150 NE2 GLN A 71 13.259 -9.230 -16.174 1.00 0.00 N ATOM 0 H GLN A 71 10.597 -9.970 -10.869 1.00 0.00 H new ATOM 0 HA GLN A 71 11.000 -11.734 -12.158 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.928 -11.155 -14.398 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.555 -10.207 -13.862 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.000 -8.332 -13.260 1.00 0.00 H new ATOM 0 HG3 GLN A 71 13.440 -9.284 -13.559 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.862 -9.988 -15.854 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.302 -8.919 -17.145 1.00 0.00 H new TER 1159 GLN A 71