USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 840 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 112 LYS NZ :NH3+ 178:sc= 0.463 (180deg=0) USER MOD Set 1.2: A 115 TYR OH : rot 180:sc= 0.42 USER MOD Set 2.1: A 82 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 97 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 39 THR OG1 : rot 100:sc= -0.115 USER MOD Set 3.2: A 43 THR OG1 : rot -170:sc= 0 USER MOD Set 4.1: A 33 ASN : amide:sc= -0.238 X(o=-0.79,f=-0.45) USER MOD Set 4.2: A 67 ASN : amide:sc= -0.554 K(o=-0.79,f=-2.9!) USER MOD Single : A 18 GLN : amide:sc=-0.00476 X(o=-0.0048,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.453 USER MOD Single : A 28 SER OG : rot 48:sc= 0.518 USER MOD Single : A 35 LYS NZ :NH3+ 146:sc= -0.216 (180deg=-1.17!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00643 USER MOD Single : A 52 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.403) USER MOD Single : A 53 MET CE :methyl 158:sc=-0.00963 (180deg=-0.692) USER MOD Single : A 54 HIS : no HD1:sc= -0.892 K(o=-0.89,f=-2.8!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 39:sc= 0.0908 USER MOD Single : A 60 THR OG1 : rot -54:sc= -0.363 USER MOD Single : A 63 LYS NZ :NH3+ -154:sc= -0.0483 (180deg=-0.299) USER MOD Single : A 66 ASN : amide:sc= -0.928 K(o=-0.93,f=-0.025) USER MOD Single : A 68 LYS NZ :NH3+ -153:sc= 0.415 (180deg=0.035) USER MOD Single : A 71 LYS NZ :NH3+ -147:sc= -0.189 (180deg=-1.43!) USER MOD Single : A 74 HIS : no HE2:sc= -2.17! C(o=-2.2!,f=-3.6!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot -132:sc= 1.19 USER MOD Single : A 86 THR OG1 : rot 142:sc= 0.65 USER MOD Single : A 88 ASN : amide:sc= -4.23! C(o=-4.2!,f=-3.8!) USER MOD Single : A 89 SER OG : rot 180:sc= 0.195 USER MOD Single : A 95 ASN : amide:sc= -1.32! K(o=-1.3!,f=-0.21) USER MOD Single : A 96 HIS : no HD1:sc= -0.622 X(o=-0.62,f=-0.14) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot -6:sc= -0.025 USER MOD Single : A 104 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.038) USER MOD Single : A 105 TYR OH : rot 114:sc= 0.0296 USER MOD Single : A 106 ASN : amide:sc= -1.08 K(o=-1.1,f=-3!) USER MOD Single : A 108 LYS NZ :NH3+ -161:sc= -0.127 (180deg=-0.692) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.605) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 17 1.904 -9.588 -14.146 1.00 0.00 N ATOM 2 CA LEU A 17 2.714 -8.811 -13.177 1.00 0.00 C ATOM 3 C LEU A 17 4.153 -9.276 -13.234 1.00 0.00 C ATOM 4 O LEU A 17 4.703 -9.749 -12.263 1.00 0.00 O ATOM 5 CB LEU A 17 2.164 -9.034 -11.750 1.00 0.00 C ATOM 6 CG LEU A 17 2.870 -8.118 -10.717 1.00 0.00 C ATOM 7 CD1 LEU A 17 2.829 -6.666 -11.169 1.00 0.00 C ATOM 8 CD2 LEU A 17 2.133 -8.226 -9.391 1.00 0.00 C ATOM 0 HA LEU A 17 2.661 -7.752 -13.429 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.092 -8.838 -11.738 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.301 -10.077 -11.466 1.00 0.00 H new ATOM 0 HG LEU A 17 3.909 -8.433 -10.619 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.330 -6.041 -10.430 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.336 -6.569 -12.129 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.792 -6.346 -11.272 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.617 -7.587 -8.652 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.099 -7.909 -9.523 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.154 -9.260 -9.046 1.00 0.00 H new ATOM 22 N GLN A 18 4.734 -9.154 -14.381 1.00 0.00 N ATOM 23 CA GLN A 18 6.134 -9.580 -14.519 1.00 0.00 C ATOM 24 C GLN A 18 7.038 -8.546 -13.890 1.00 0.00 C ATOM 25 O GLN A 18 8.158 -8.831 -13.512 1.00 0.00 O ATOM 26 CB GLN A 18 6.464 -9.700 -16.013 1.00 0.00 C ATOM 27 CG GLN A 18 5.429 -10.608 -16.683 1.00 0.00 C ATOM 28 CD GLN A 18 6.124 -11.478 -17.732 1.00 0.00 C ATOM 29 OE1 GLN A 18 5.921 -11.318 -18.920 1.00 0.00 O ATOM 30 NE2 GLN A 18 6.951 -12.406 -17.338 1.00 0.00 N ATOM 0 H GLN A 18 4.301 -8.779 -15.225 1.00 0.00 H new ATOM 0 HA GLN A 18 6.283 -10.539 -14.023 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.458 -8.715 -16.480 1.00 0.00 H new ATOM 0 HB3 GLN A 18 7.465 -10.110 -16.145 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.942 -11.236 -15.937 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.649 -10.007 -17.151 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.125 -12.545 -16.343 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.424 -12.993 -18.025 1.00 0.00 H new ATOM 39 N ASP A 19 6.525 -7.355 -13.787 1.00 0.00 N ATOM 40 CA ASP A 19 7.314 -6.271 -13.190 1.00 0.00 C ATOM 41 C ASP A 19 6.459 -5.038 -12.978 1.00 0.00 C ATOM 42 O ASP A 19 6.756 -4.204 -12.148 1.00 0.00 O ATOM 43 CB ASP A 19 8.429 -5.916 -14.159 1.00 0.00 C ATOM 44 CG ASP A 19 9.770 -5.907 -13.423 1.00 0.00 C ATOM 45 OD1 ASP A 19 9.845 -5.184 -12.444 1.00 0.00 O ATOM 46 OD2 ASP A 19 10.643 -6.622 -13.883 1.00 0.00 O ATOM 0 H ASP A 19 5.588 -7.094 -14.095 1.00 0.00 H new ATOM 0 HA ASP A 19 7.706 -6.600 -12.227 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.457 -6.637 -14.976 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.240 -4.938 -14.603 1.00 0.00 H new ATOM 51 N ALA A 20 5.402 -4.951 -13.730 1.00 0.00 N ATOM 52 CA ALA A 20 4.494 -3.772 -13.597 1.00 0.00 C ATOM 53 C ALA A 20 5.280 -2.464 -13.712 1.00 0.00 C ATOM 54 O ALA A 20 6.494 -2.470 -13.727 1.00 0.00 O ATOM 55 CB ALA A 20 3.827 -3.812 -12.214 1.00 0.00 C ATOM 0 H ALA A 20 5.124 -5.639 -14.429 1.00 0.00 H new ATOM 0 HA ALA A 20 3.751 -3.815 -14.393 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.162 -2.955 -12.106 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.252 -4.733 -12.114 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.593 -3.776 -11.439 1.00 0.00 H new ATOM 61 N GLU A 21 4.566 -1.364 -13.788 1.00 0.00 N ATOM 62 CA GLU A 21 5.250 -0.048 -13.899 1.00 0.00 C ATOM 63 C GLU A 21 5.252 0.648 -12.544 1.00 0.00 C ATOM 64 O GLU A 21 6.291 0.882 -11.963 1.00 0.00 O ATOM 65 CB GLU A 21 4.478 0.823 -14.907 1.00 0.00 C ATOM 66 CG GLU A 21 3.932 -0.067 -16.025 1.00 0.00 C ATOM 67 CD GLU A 21 3.799 0.754 -17.311 1.00 0.00 C ATOM 68 OE1 GLU A 21 3.018 1.690 -17.277 1.00 0.00 O ATOM 69 OE2 GLU A 21 4.488 0.398 -18.253 1.00 0.00 O ATOM 0 H GLU A 21 3.547 -1.327 -13.778 1.00 0.00 H new ATOM 0 HA GLU A 21 6.278 -0.196 -14.230 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.660 1.342 -14.406 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.134 1.588 -15.322 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.598 -0.914 -16.189 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.962 -0.475 -15.739 1.00 0.00 H new ATOM 76 N TRP A 22 4.081 0.955 -12.064 1.00 0.00 N ATOM 77 CA TRP A 22 3.982 1.635 -10.747 1.00 0.00 C ATOM 78 C TRP A 22 4.895 0.963 -9.739 1.00 0.00 C ATOM 79 O TRP A 22 5.484 1.605 -8.889 1.00 0.00 O ATOM 80 CB TRP A 22 2.535 1.522 -10.255 1.00 0.00 C ATOM 81 CG TRP A 22 1.644 1.057 -11.424 1.00 0.00 C ATOM 82 CD1 TRP A 22 1.171 1.871 -12.342 1.00 0.00 C ATOM 83 CD2 TRP A 22 1.305 -0.197 -11.681 1.00 0.00 C ATOM 84 NE1 TRP A 22 0.523 1.059 -13.197 1.00 0.00 N ATOM 85 CE2 TRP A 22 0.561 -0.276 -12.847 1.00 0.00 C ATOM 86 CE3 TRP A 22 1.574 -1.352 -10.975 1.00 0.00 C ATOM 87 CZ2 TRP A 22 0.101 -1.500 -13.292 1.00 0.00 C ATOM 88 CZ3 TRP A 22 1.110 -2.563 -11.421 1.00 0.00 C ATOM 89 CH2 TRP A 22 0.379 -2.638 -12.577 1.00 0.00 C ATOM 0 H TRP A 22 3.192 0.765 -12.526 1.00 0.00 H new ATOM 0 HA TRP A 22 4.277 2.679 -10.853 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.472 0.814 -9.429 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.189 2.484 -9.877 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.278 2.944 -12.397 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.045 1.400 -14.031 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.154 -1.302 -10.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.477 -1.562 -14.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.322 -3.461 -10.859 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.021 -3.595 -12.927 1.00 0.00 H new ATOM 100 N TYR A 23 4.988 -0.320 -9.863 1.00 0.00 N ATOM 101 CA TYR A 23 5.846 -1.103 -8.943 1.00 0.00 C ATOM 102 C TYR A 23 7.229 -1.293 -9.553 1.00 0.00 C ATOM 103 O TYR A 23 7.358 -1.661 -10.704 1.00 0.00 O ATOM 104 CB TYR A 23 5.177 -2.477 -8.740 1.00 0.00 C ATOM 105 CG TYR A 23 3.694 -2.316 -8.265 1.00 0.00 C ATOM 106 CD1 TYR A 23 3.182 -1.103 -7.763 1.00 0.00 C ATOM 107 CD2 TYR A 23 2.841 -3.397 -8.338 1.00 0.00 C ATOM 108 CE1 TYR A 23 1.865 -1.014 -7.360 1.00 0.00 C ATOM 109 CE2 TYR A 23 1.527 -3.291 -7.930 1.00 0.00 C ATOM 110 CZ TYR A 23 1.031 -2.103 -7.440 1.00 0.00 C ATOM 111 OH TYR A 23 -0.286 -2.007 -7.035 1.00 0.00 O ATOM 0 H TYR A 23 4.501 -0.870 -10.571 1.00 0.00 H new ATOM 0 HA TYR A 23 5.958 -0.582 -7.992 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.204 -3.040 -9.673 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.738 -3.053 -8.004 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.824 -0.237 -7.693 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.206 -4.339 -8.720 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.486 -0.078 -6.977 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.878 -4.152 -7.996 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.731 -2.871 -7.162 1.00 0.00 H new ATOM 121 N TRP A 24 8.245 -1.038 -8.766 1.00 0.00 N ATOM 122 CA TRP A 24 9.626 -1.195 -9.287 1.00 0.00 C ATOM 123 C TRP A 24 10.115 -2.610 -9.062 1.00 0.00 C ATOM 124 O TRP A 24 10.889 -3.143 -9.835 1.00 0.00 O ATOM 125 CB TRP A 24 10.577 -0.256 -8.504 1.00 0.00 C ATOM 126 CG TRP A 24 10.042 1.197 -8.431 1.00 0.00 C ATOM 127 CD1 TRP A 24 8.857 1.627 -8.882 1.00 0.00 C ATOM 128 CD2 TRP A 24 10.697 2.170 -7.856 1.00 0.00 C ATOM 129 NE1 TRP A 24 8.844 2.926 -8.524 1.00 0.00 N ATOM 130 CE2 TRP A 24 9.980 3.345 -7.872 1.00 0.00 C ATOM 131 CE3 TRP A 24 11.956 2.140 -7.294 1.00 0.00 C ATOM 132 CZ2 TRP A 24 10.513 4.489 -7.329 1.00 0.00 C ATOM 133 CZ3 TRP A 24 12.495 3.287 -6.750 1.00 0.00 C ATOM 134 CH2 TRP A 24 11.773 4.462 -6.767 1.00 0.00 C ATOM 0 H TRP A 24 8.174 -0.731 -7.796 1.00 0.00 H new ATOM 0 HA TRP A 24 9.619 -0.959 -10.351 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.714 -0.641 -7.494 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.557 -0.256 -8.980 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.096 1.068 -9.406 1.00 0.00 H new ATOM 0 HE1 TRP A 24 8.058 3.546 -8.720 1.00 0.00 H new ATOM 0 HE3 TRP A 24 12.520 1.219 -7.280 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 9.946 5.408 -7.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 13.482 3.265 -6.311 1.00 0.00 H new ATOM 0 HH2 TRP A 24 12.194 5.361 -6.341 1.00 0.00 H new ATOM 145 N GLY A 25 9.648 -3.184 -8.005 1.00 0.00 N ATOM 146 CA GLY A 25 10.052 -4.571 -7.668 1.00 0.00 C ATOM 147 C GLY A 25 10.295 -4.656 -6.174 1.00 0.00 C ATOM 148 O GLY A 25 11.193 -5.333 -5.715 1.00 0.00 O ATOM 0 H GLY A 25 8.997 -2.752 -7.350 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.274 -5.274 -7.965 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.955 -4.845 -8.214 1.00 0.00 H new ATOM 152 N ASP A 26 9.475 -3.959 -5.445 1.00 0.00 N ATOM 153 CA ASP A 26 9.606 -3.955 -3.967 1.00 0.00 C ATOM 154 C ASP A 26 10.911 -3.315 -3.557 1.00 0.00 C ATOM 155 O ASP A 26 11.967 -3.700 -4.025 1.00 0.00 O ATOM 156 CB ASP A 26 9.575 -5.402 -3.446 1.00 0.00 C ATOM 157 CG ASP A 26 10.911 -5.734 -2.784 1.00 0.00 C ATOM 158 OD1 ASP A 26 11.101 -5.256 -1.677 1.00 0.00 O ATOM 159 OD2 ASP A 26 11.668 -6.449 -3.420 1.00 0.00 O ATOM 0 H ASP A 26 8.714 -3.388 -5.813 1.00 0.00 H new ATOM 0 HA ASP A 26 8.778 -3.386 -3.544 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.762 -5.525 -2.730 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.383 -6.092 -4.268 1.00 0.00 H new ATOM 164 N ILE A 27 10.821 -2.330 -2.705 1.00 0.00 N ATOM 165 CA ILE A 27 12.060 -1.650 -2.252 1.00 0.00 C ATOM 166 C ILE A 27 11.987 -1.322 -0.757 1.00 0.00 C ATOM 167 O ILE A 27 11.811 -2.202 0.062 1.00 0.00 O ATOM 168 CB ILE A 27 12.248 -0.344 -3.048 1.00 0.00 C ATOM 169 CG1 ILE A 27 10.961 0.535 -2.987 1.00 0.00 C ATOM 170 CG2 ILE A 27 12.608 -0.694 -4.517 1.00 0.00 C ATOM 171 CD1 ILE A 27 9.996 0.242 -4.155 1.00 0.00 C ATOM 0 H ILE A 27 9.952 -1.972 -2.309 1.00 0.00 H new ATOM 0 HA ILE A 27 12.903 -2.319 -2.423 1.00 0.00 H new ATOM 0 HB ILE A 27 13.059 0.234 -2.605 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.448 0.359 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.242 1.588 -3.006 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.743 0.225 -5.087 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.532 -1.272 -4.537 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.803 -1.281 -4.959 1.00 0.00 H new ATOM 0 HD11 ILE A 27 9.116 0.879 -4.068 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.498 0.444 -5.101 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.692 -0.804 -4.122 1.00 0.00 H new ATOM 183 N SER A 28 12.119 -0.065 -0.428 1.00 0.00 N ATOM 184 CA SER A 28 12.059 0.321 0.994 1.00 0.00 C ATOM 185 C SER A 28 11.817 1.817 1.137 1.00 0.00 C ATOM 186 O SER A 28 11.961 2.566 0.191 1.00 0.00 O ATOM 187 CB SER A 28 13.407 -0.026 1.643 1.00 0.00 C ATOM 188 OG SER A 28 13.137 -1.195 2.400 1.00 0.00 O ATOM 0 H SER A 28 12.265 0.701 -1.085 1.00 0.00 H new ATOM 0 HA SER A 28 11.240 -0.213 1.477 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.176 -0.206 0.892 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.765 0.785 2.277 1.00 0.00 H new ATOM 0 HG SER A 28 12.650 -1.839 1.845 1.00 0.00 H new ATOM 194 N ARG A 29 11.452 2.223 2.316 1.00 0.00 N ATOM 195 CA ARG A 29 11.194 3.662 2.549 1.00 0.00 C ATOM 196 C ARG A 29 12.261 4.519 1.911 1.00 0.00 C ATOM 197 O ARG A 29 11.981 5.554 1.341 1.00 0.00 O ATOM 198 CB ARG A 29 11.203 3.898 4.043 1.00 0.00 C ATOM 199 CG ARG A 29 10.071 3.091 4.654 1.00 0.00 C ATOM 200 CD ARG A 29 10.171 3.152 6.165 1.00 0.00 C ATOM 201 NE ARG A 29 9.833 4.529 6.618 1.00 0.00 N ATOM 202 CZ ARG A 29 9.157 4.691 7.722 1.00 0.00 C ATOM 203 NH1 ARG A 29 9.642 4.206 8.835 1.00 0.00 N ATOM 204 NH2 ARG A 29 8.022 5.330 7.679 1.00 0.00 N ATOM 0 H ARG A 29 11.322 1.619 3.128 1.00 0.00 H new ATOM 0 HA ARG A 29 10.234 3.931 2.108 1.00 0.00 H new ATOM 0 HB2 ARG A 29 12.159 3.597 4.470 1.00 0.00 H new ATOM 0 HB3 ARG A 29 11.076 4.958 4.262 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.109 3.485 4.326 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.123 2.056 4.316 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.491 2.430 6.617 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.178 2.886 6.487 1.00 0.00 H new ATOM 0 HE ARG A 29 10.127 5.338 6.071 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.534 3.711 8.830 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.128 4.322 9.709 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.675 5.694 6.792 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.480 5.466 8.533 1.00 0.00 H new ATOM 218 N GLU A 30 13.461 4.071 2.013 1.00 0.00 N ATOM 219 CA GLU A 30 14.584 4.837 1.421 1.00 0.00 C ATOM 220 C GLU A 30 14.286 5.222 -0.020 1.00 0.00 C ATOM 221 O GLU A 30 14.216 6.388 -0.345 1.00 0.00 O ATOM 222 CB GLU A 30 15.839 3.957 1.442 1.00 0.00 C ATOM 223 CG GLU A 30 16.081 3.460 2.864 1.00 0.00 C ATOM 224 CD GLU A 30 17.481 2.850 2.952 1.00 0.00 C ATOM 225 OE1 GLU A 30 17.981 2.489 1.900 1.00 0.00 O ATOM 226 OE2 GLU A 30 17.972 2.781 4.067 1.00 0.00 O ATOM 0 H GLU A 30 13.723 3.204 2.482 1.00 0.00 H new ATOM 0 HA GLU A 30 14.730 5.748 2.002 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.716 3.112 0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.701 4.524 1.091 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.985 4.284 3.571 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.330 2.718 3.135 1.00 0.00 H new ATOM 233 N GLU A 31 14.119 4.238 -0.862 1.00 0.00 N ATOM 234 CA GLU A 31 13.828 4.541 -2.278 1.00 0.00 C ATOM 235 C GLU A 31 12.457 5.173 -2.412 1.00 0.00 C ATOM 236 O GLU A 31 12.322 6.273 -2.915 1.00 0.00 O ATOM 237 CB GLU A 31 13.840 3.230 -3.054 1.00 0.00 C ATOM 238 CG GLU A 31 15.284 2.772 -3.255 1.00 0.00 C ATOM 239 CD GLU A 31 15.873 3.470 -4.480 1.00 0.00 C ATOM 240 OE1 GLU A 31 15.391 4.552 -4.772 1.00 0.00 O ATOM 241 OE2 GLU A 31 16.774 2.883 -5.057 1.00 0.00 O ATOM 0 H GLU A 31 14.172 3.247 -0.626 1.00 0.00 H new ATOM 0 HA GLU A 31 14.576 5.234 -2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.278 2.469 -2.513 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.351 3.362 -4.019 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.877 3.004 -2.370 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.319 1.691 -3.387 1.00 0.00 H new ATOM 248 N VAL A 32 11.457 4.457 -1.965 1.00 0.00 N ATOM 249 CA VAL A 32 10.077 4.994 -2.051 1.00 0.00 C ATOM 250 C VAL A 32 10.065 6.464 -1.650 1.00 0.00 C ATOM 251 O VAL A 32 9.765 7.331 -2.440 1.00 0.00 O ATOM 252 CB VAL A 32 9.196 4.214 -1.050 1.00 0.00 C ATOM 253 CG1 VAL A 32 7.925 5.040 -0.753 1.00 0.00 C ATOM 254 CG2 VAL A 32 8.824 2.829 -1.642 1.00 0.00 C ATOM 0 H VAL A 32 11.541 3.530 -1.548 1.00 0.00 H new ATOM 0 HA VAL A 32 9.706 4.891 -3.071 1.00 0.00 H new ATOM 0 HB VAL A 32 9.742 4.051 -0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.296 4.498 -0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.208 6.001 -0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.373 5.204 -1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.203 2.284 -0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.274 2.967 -2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.733 2.261 -1.839 1.00 0.00 H new ATOM 264 N ASN A 33 10.405 6.706 -0.418 1.00 0.00 N ATOM 265 CA ASN A 33 10.430 8.104 0.088 1.00 0.00 C ATOM 266 C ASN A 33 11.302 9.010 -0.782 1.00 0.00 C ATOM 267 O ASN A 33 10.825 9.964 -1.361 1.00 0.00 O ATOM 268 CB ASN A 33 11.030 8.080 1.501 1.00 0.00 C ATOM 269 CG ASN A 33 10.768 9.422 2.190 1.00 0.00 C ATOM 270 OD1 ASN A 33 11.671 10.062 2.690 1.00 0.00 O ATOM 271 ND2 ASN A 33 9.549 9.881 2.238 1.00 0.00 N ATOM 0 H ASN A 33 10.668 5.994 0.263 1.00 0.00 H new ATOM 0 HA ASN A 33 9.413 8.495 0.076 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.589 7.269 2.081 1.00 0.00 H new ATOM 0 HB3 ASN A 33 12.102 7.889 1.449 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.358 10.773 2.694 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.787 9.348 1.820 1.00 0.00 H new ATOM 278 N GLU A 34 12.566 8.687 -0.842 1.00 0.00 N ATOM 279 CA GLU A 34 13.514 9.507 -1.662 1.00 0.00 C ATOM 280 C GLU A 34 12.884 10.025 -2.949 1.00 0.00 C ATOM 281 O GLU A 34 13.272 11.063 -3.450 1.00 0.00 O ATOM 282 CB GLU A 34 14.719 8.633 -2.034 1.00 0.00 C ATOM 283 CG GLU A 34 15.660 8.528 -0.829 1.00 0.00 C ATOM 284 CD GLU A 34 16.670 9.678 -0.874 1.00 0.00 C ATOM 285 OE1 GLU A 34 16.228 10.795 -0.663 1.00 0.00 O ATOM 286 OE2 GLU A 34 17.827 9.373 -1.118 1.00 0.00 O ATOM 0 H GLU A 34 12.986 7.892 -0.360 1.00 0.00 H new ATOM 0 HA GLU A 34 13.804 10.370 -1.063 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.384 7.641 -2.336 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.246 9.064 -2.885 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.088 8.567 0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.181 7.571 -0.842 1.00 0.00 H new ATOM 293 N LYS A 35 11.928 9.304 -3.461 1.00 0.00 N ATOM 294 CA LYS A 35 11.271 9.754 -4.721 1.00 0.00 C ATOM 295 C LYS A 35 9.929 10.394 -4.456 1.00 0.00 C ATOM 296 O LYS A 35 9.459 11.201 -5.235 1.00 0.00 O ATOM 297 CB LYS A 35 11.065 8.548 -5.613 1.00 0.00 C ATOM 298 CG LYS A 35 11.030 9.025 -7.060 1.00 0.00 C ATOM 299 CD LYS A 35 12.461 9.208 -7.582 1.00 0.00 C ATOM 300 CE LYS A 35 12.847 7.995 -8.431 1.00 0.00 C ATOM 301 NZ LYS A 35 11.938 7.868 -9.606 1.00 0.00 N ATOM 0 H LYS A 35 11.575 8.432 -3.068 1.00 0.00 H new ATOM 0 HA LYS A 35 11.913 10.496 -5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.870 7.828 -5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.135 8.041 -5.357 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.497 8.302 -7.678 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.485 9.966 -7.129 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.530 10.119 -8.176 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.154 9.318 -6.748 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.878 8.095 -8.771 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.797 7.090 -7.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.469 7.491 -10.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.157 7.222 -9.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.553 8.803 -9.849 1.00 0.00 H new ATOM 315 N LEU A 36 9.334 10.033 -3.374 1.00 0.00 N ATOM 316 CA LEU A 36 8.019 10.618 -3.051 1.00 0.00 C ATOM 317 C LEU A 36 8.182 11.903 -2.259 1.00 0.00 C ATOM 318 O LEU A 36 7.213 12.523 -1.868 1.00 0.00 O ATOM 319 CB LEU A 36 7.228 9.607 -2.213 1.00 0.00 C ATOM 320 CG LEU A 36 6.225 8.885 -3.122 1.00 0.00 C ATOM 321 CD1 LEU A 36 6.984 8.092 -4.190 1.00 0.00 C ATOM 322 CD2 LEU A 36 5.376 7.919 -2.284 1.00 0.00 C ATOM 0 H LEU A 36 9.696 9.360 -2.698 1.00 0.00 H new ATOM 0 HA LEU A 36 7.492 10.847 -3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.905 8.888 -1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.705 10.116 -1.403 1.00 0.00 H new ATOM 0 HG LEU A 36 5.578 9.620 -3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.272 7.579 -4.836 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.590 8.773 -4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.631 7.359 -3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.664 7.406 -2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.025 7.186 -1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.836 8.478 -1.520 1.00 0.00 H new ATOM 334 N ARG A 37 9.408 12.286 -2.037 1.00 0.00 N ATOM 335 CA ARG A 37 9.651 13.529 -1.275 1.00 0.00 C ATOM 336 C ARG A 37 9.634 14.731 -2.206 1.00 0.00 C ATOM 337 O ARG A 37 9.539 15.859 -1.767 1.00 0.00 O ATOM 338 CB ARG A 37 11.031 13.429 -0.600 1.00 0.00 C ATOM 339 CG ARG A 37 12.127 13.417 -1.672 1.00 0.00 C ATOM 340 CD ARG A 37 12.810 14.786 -1.706 1.00 0.00 C ATOM 341 NE ARG A 37 13.869 14.771 -2.754 1.00 0.00 N ATOM 342 CZ ARG A 37 14.844 15.636 -2.692 1.00 0.00 C ATOM 343 NH1 ARG A 37 15.850 15.394 -1.897 1.00 0.00 N ATOM 344 NH2 ARG A 37 14.779 16.715 -3.425 1.00 0.00 N ATOM 0 H ARG A 37 10.244 11.792 -2.350 1.00 0.00 H new ATOM 0 HA ARG A 37 8.868 13.654 -0.527 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.178 14.271 0.076 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.088 12.523 0.003 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.857 12.638 -1.454 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.697 13.187 -2.647 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.080 15.566 -1.919 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.246 15.014 -0.733 1.00 0.00 H new ATOM 0 HE ARG A 37 13.832 14.091 -3.513 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.865 14.541 -1.338 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.622 16.058 -1.835 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.975 16.871 -4.033 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.532 17.402 -3.389 1.00 0.00 H new ATOM 358 N ASP A 38 9.730 14.458 -3.485 1.00 0.00 N ATOM 359 CA ASP A 38 9.722 15.563 -4.484 1.00 0.00 C ATOM 360 C ASP A 38 8.768 15.243 -5.625 1.00 0.00 C ATOM 361 O ASP A 38 9.162 15.224 -6.774 1.00 0.00 O ATOM 362 CB ASP A 38 11.141 15.709 -5.057 1.00 0.00 C ATOM 363 CG ASP A 38 11.227 16.995 -5.883 1.00 0.00 C ATOM 364 OD1 ASP A 38 10.600 17.953 -5.459 1.00 0.00 O ATOM 365 OD2 ASP A 38 11.913 16.946 -6.891 1.00 0.00 O ATOM 0 H ASP A 38 9.813 13.519 -3.876 1.00 0.00 H new ATOM 0 HA ASP A 38 9.398 16.484 -3.998 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.871 15.734 -4.248 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.384 14.848 -5.679 1.00 0.00 H new ATOM 370 N THR A 39 7.526 14.995 -5.286 1.00 0.00 N ATOM 371 CA THR A 39 6.528 14.673 -6.340 1.00 0.00 C ATOM 372 C THR A 39 5.208 15.386 -6.082 1.00 0.00 C ATOM 373 O THR A 39 5.089 16.172 -5.162 1.00 0.00 O ATOM 374 CB THR A 39 6.282 13.162 -6.320 1.00 0.00 C ATOM 375 OG1 THR A 39 6.342 12.792 -4.957 1.00 0.00 O ATOM 376 CG2 THR A 39 7.451 12.413 -6.976 1.00 0.00 C ATOM 0 H THR A 39 7.167 15.003 -4.331 1.00 0.00 H new ATOM 0 HA THR A 39 6.914 15.000 -7.305 1.00 0.00 H new ATOM 0 HB THR A 39 5.346 12.932 -6.829 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.433 12.702 -4.602 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.256 11.341 -6.951 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.557 12.739 -8.011 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.371 12.627 -6.432 1.00 0.00 H new ATOM 384 N ALA A 40 4.235 15.096 -6.902 1.00 0.00 N ATOM 385 CA ALA A 40 2.912 15.743 -6.728 1.00 0.00 C ATOM 386 C ALA A 40 2.267 15.323 -5.415 1.00 0.00 C ATOM 387 O ALA A 40 2.897 14.706 -4.579 1.00 0.00 O ATOM 388 CB ALA A 40 2.002 15.302 -7.885 1.00 0.00 C ATOM 0 H ALA A 40 4.302 14.441 -7.681 1.00 0.00 H new ATOM 0 HA ALA A 40 3.046 16.825 -6.720 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.023 15.768 -7.775 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.445 15.607 -8.833 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.892 14.218 -7.868 1.00 0.00 H new ATOM 394 N ASP A 41 1.015 15.667 -5.262 1.00 0.00 N ATOM 395 CA ASP A 41 0.296 15.302 -4.015 1.00 0.00 C ATOM 396 C ASP A 41 -0.589 14.084 -4.239 1.00 0.00 C ATOM 397 O ASP A 41 -1.777 14.124 -3.991 1.00 0.00 O ATOM 398 CB ASP A 41 -0.591 16.489 -3.606 1.00 0.00 C ATOM 399 CG ASP A 41 -1.140 16.247 -2.197 1.00 0.00 C ATOM 400 OD1 ASP A 41 -1.043 15.109 -1.768 1.00 0.00 O ATOM 401 OD2 ASP A 41 -1.623 17.213 -1.630 1.00 0.00 O ATOM 0 H ASP A 41 0.464 16.184 -5.947 1.00 0.00 H new ATOM 0 HA ASP A 41 1.023 15.067 -3.238 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.015 17.414 -3.631 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.412 16.606 -4.314 1.00 0.00 H new ATOM 406 N GLY A 42 0.005 13.019 -4.707 1.00 0.00 N ATOM 407 CA GLY A 42 -0.797 11.787 -4.952 1.00 0.00 C ATOM 408 C GLY A 42 -0.010 10.785 -5.801 1.00 0.00 C ATOM 409 O GLY A 42 -0.369 10.511 -6.929 1.00 0.00 O ATOM 0 H GLY A 42 0.998 12.949 -4.928 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.069 11.330 -4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.727 12.048 -5.458 1.00 0.00 H new ATOM 413 N THR A 43 1.051 10.259 -5.237 1.00 0.00 N ATOM 414 CA THR A 43 1.879 9.271 -5.994 1.00 0.00 C ATOM 415 C THR A 43 1.622 7.861 -5.475 1.00 0.00 C ATOM 416 O THR A 43 1.019 7.701 -4.451 1.00 0.00 O ATOM 417 CB THR A 43 3.342 9.613 -5.756 1.00 0.00 C ATOM 418 OG1 THR A 43 3.376 11.017 -5.590 1.00 0.00 O ATOM 419 CG2 THR A 43 4.172 9.350 -7.013 1.00 0.00 C ATOM 0 H THR A 43 1.376 10.469 -4.293 1.00 0.00 H new ATOM 0 HA THR A 43 1.626 9.312 -7.053 1.00 0.00 H new ATOM 0 HB THR A 43 3.727 9.033 -4.917 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.307 11.324 -5.590 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.215 9.602 -6.820 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.097 8.297 -7.285 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.797 9.964 -7.832 1.00 0.00 H new ATOM 427 N PHE A 44 2.084 6.851 -6.179 1.00 0.00 N ATOM 428 CA PHE A 44 1.828 5.475 -5.663 1.00 0.00 C ATOM 429 C PHE A 44 2.743 4.414 -6.262 1.00 0.00 C ATOM 430 O PHE A 44 2.916 4.325 -7.460 1.00 0.00 O ATOM 431 CB PHE A 44 0.363 5.098 -5.961 1.00 0.00 C ATOM 432 CG PHE A 44 0.129 4.960 -7.470 1.00 0.00 C ATOM 433 CD1 PHE A 44 0.152 6.071 -8.288 1.00 0.00 C ATOM 434 CD2 PHE A 44 -0.194 3.729 -8.024 1.00 0.00 C ATOM 435 CE1 PHE A 44 -0.148 5.952 -9.626 1.00 0.00 C ATOM 436 CE2 PHE A 44 -0.494 3.623 -9.361 1.00 0.00 C ATOM 437 CZ PHE A 44 -0.470 4.727 -10.159 1.00 0.00 C ATOM 0 H PHE A 44 2.606 6.917 -7.053 1.00 0.00 H new ATOM 0 HA PHE A 44 2.032 5.496 -4.593 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.116 4.160 -5.464 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.303 5.859 -5.554 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.406 7.037 -7.877 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.210 2.848 -7.400 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.130 6.826 -10.260 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.750 2.661 -9.781 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.704 4.639 -11.210 1.00 0.00 H new ATOM 447 N LEU A 45 3.314 3.623 -5.380 1.00 0.00 N ATOM 448 CA LEU A 45 4.228 2.540 -5.814 1.00 0.00 C ATOM 449 C LEU A 45 4.099 1.352 -4.845 1.00 0.00 C ATOM 450 O LEU A 45 3.360 1.430 -3.881 1.00 0.00 O ATOM 451 CB LEU A 45 5.682 3.059 -5.819 1.00 0.00 C ATOM 452 CG LEU A 45 5.892 4.085 -4.700 1.00 0.00 C ATOM 453 CD1 LEU A 45 5.624 3.431 -3.350 1.00 0.00 C ATOM 454 CD2 LEU A 45 7.342 4.553 -4.734 1.00 0.00 C ATOM 0 H LEU A 45 3.178 3.691 -4.371 1.00 0.00 H new ATOM 0 HA LEU A 45 3.964 2.217 -6.821 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.372 2.225 -5.689 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.908 3.513 -6.784 1.00 0.00 H new ATOM 0 HG LEU A 45 5.213 4.926 -4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.774 4.162 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.597 3.067 -3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.309 2.595 -3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.507 5.284 -3.943 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.003 3.700 -4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.554 5.010 -5.700 1.00 0.00 H new ATOM 466 N VAL A 46 4.812 0.276 -5.106 1.00 0.00 N ATOM 467 CA VAL A 46 4.714 -0.909 -4.185 1.00 0.00 C ATOM 468 C VAL A 46 5.833 -0.920 -3.140 1.00 0.00 C ATOM 469 O VAL A 46 6.878 -0.329 -3.326 1.00 0.00 O ATOM 470 CB VAL A 46 4.776 -2.213 -5.056 1.00 0.00 C ATOM 471 CG1 VAL A 46 5.837 -3.202 -4.532 1.00 0.00 C ATOM 472 CG2 VAL A 46 3.415 -2.909 -5.011 1.00 0.00 C ATOM 0 H VAL A 46 5.444 0.167 -5.899 1.00 0.00 H new ATOM 0 HA VAL A 46 3.773 -0.852 -3.639 1.00 0.00 H new ATOM 0 HB VAL A 46 5.041 -1.921 -6.072 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.848 -4.091 -5.162 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.819 -2.729 -4.555 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.595 -3.486 -3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.450 -3.816 -5.614 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.173 -3.168 -3.980 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.651 -2.240 -5.407 1.00 0.00 H new ATOM 482 N ARG A 47 5.569 -1.605 -2.055 1.00 0.00 N ATOM 483 CA ARG A 47 6.558 -1.703 -0.963 1.00 0.00 C ATOM 484 C ARG A 47 6.498 -3.103 -0.346 1.00 0.00 C ATOM 485 O ARG A 47 5.427 -3.636 -0.129 1.00 0.00 O ATOM 486 CB ARG A 47 6.200 -0.670 0.120 1.00 0.00 C ATOM 487 CG ARG A 47 7.488 -0.160 0.787 1.00 0.00 C ATOM 488 CD ARG A 47 8.196 -1.320 1.498 1.00 0.00 C ATOM 489 NE ARG A 47 8.986 -0.778 2.640 1.00 0.00 N ATOM 490 CZ ARG A 47 8.650 -1.096 3.861 1.00 0.00 C ATOM 491 NH1 ARG A 47 7.450 -0.806 4.281 1.00 0.00 N ATOM 492 NH2 ARG A 47 9.528 -1.694 4.621 1.00 0.00 N ATOM 0 H ARG A 47 4.695 -2.104 -1.887 1.00 0.00 H new ATOM 0 HA ARG A 47 7.558 -1.515 -1.353 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.653 0.162 -0.323 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.545 -1.121 0.866 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.148 0.277 0.038 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.251 0.628 1.502 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.465 -2.045 1.856 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.851 -1.845 0.802 1.00 0.00 H new ATOM 0 HE ARG A 47 9.782 -0.164 2.469 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.791 -0.338 3.659 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.170 -1.047 5.232 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.458 -1.905 4.258 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.284 -1.950 5.578 1.00 0.00 H new ATOM 506 N ASP A 48 7.641 -3.675 -0.085 1.00 0.00 N ATOM 507 CA ASP A 48 7.666 -5.037 0.515 1.00 0.00 C ATOM 508 C ASP A 48 6.595 -5.202 1.586 1.00 0.00 C ATOM 509 O ASP A 48 6.307 -4.285 2.331 1.00 0.00 O ATOM 510 CB ASP A 48 9.035 -5.240 1.154 1.00 0.00 C ATOM 511 CG ASP A 48 8.897 -6.155 2.372 1.00 0.00 C ATOM 512 OD1 ASP A 48 8.912 -7.355 2.152 1.00 0.00 O ATOM 513 OD2 ASP A 48 8.783 -5.603 3.454 1.00 0.00 O ATOM 0 H ASP A 48 8.556 -3.259 -0.261 1.00 0.00 H new ATOM 0 HA ASP A 48 7.472 -5.770 -0.268 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.724 -5.679 0.432 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.455 -4.280 1.453 1.00 0.00 H new ATOM 518 N ALA A 49 6.021 -6.376 1.642 1.00 0.00 N ATOM 519 CA ALA A 49 4.964 -6.629 2.657 1.00 0.00 C ATOM 520 C ALA A 49 5.571 -7.096 3.971 1.00 0.00 C ATOM 521 O ALA A 49 5.022 -6.861 5.029 1.00 0.00 O ATOM 522 CB ALA A 49 4.054 -7.748 2.135 1.00 0.00 C ATOM 0 H ALA A 49 6.239 -7.164 1.032 1.00 0.00 H new ATOM 0 HA ALA A 49 4.413 -5.704 2.827 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.270 -7.950 2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.601 -7.439 1.193 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.643 -8.651 1.976 1.00 0.00 H new ATOM 528 N SER A 50 6.695 -7.746 3.885 1.00 0.00 N ATOM 529 CA SER A 50 7.344 -8.231 5.124 1.00 0.00 C ATOM 530 C SER A 50 8.746 -8.748 4.841 1.00 0.00 C ATOM 531 O SER A 50 8.987 -9.380 3.832 1.00 0.00 O ATOM 532 CB SER A 50 6.502 -9.384 5.694 1.00 0.00 C ATOM 533 OG SER A 50 6.832 -9.404 7.075 1.00 0.00 O ATOM 0 H SER A 50 7.187 -7.960 3.017 1.00 0.00 H new ATOM 0 HA SER A 50 7.414 -7.404 5.831 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.436 -9.213 5.541 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.745 -10.331 5.212 1.00 0.00 H new ATOM 0 HG SER A 50 6.331 -10.119 7.521 1.00 0.00 H new ATOM 539 N THR A 51 9.651 -8.465 5.736 1.00 0.00 N ATOM 540 CA THR A 51 11.041 -8.929 5.536 1.00 0.00 C ATOM 541 C THR A 51 11.134 -10.435 5.759 1.00 0.00 C ATOM 542 O THR A 51 12.191 -11.019 5.631 1.00 0.00 O ATOM 543 CB THR A 51 11.937 -8.218 6.556 1.00 0.00 C ATOM 544 OG1 THR A 51 11.458 -6.889 6.608 1.00 0.00 O ATOM 545 CG2 THR A 51 13.374 -8.092 6.029 1.00 0.00 C ATOM 0 H THR A 51 9.484 -7.935 6.591 1.00 0.00 H new ATOM 0 HA THR A 51 11.357 -8.703 4.518 1.00 0.00 H new ATOM 0 HB THR A 51 11.925 -8.761 7.501 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.991 -6.374 7.249 1.00 0.00 H new ATOM 0 HG21 THR A 51 13.990 -7.584 6.771 1.00 0.00 H new ATOM 0 HG22 THR A 51 13.780 -9.085 5.839 1.00 0.00 H new ATOM 0 HG23 THR A 51 13.373 -7.517 5.103 1.00 0.00 H new ATOM 553 N LYS A 52 10.015 -11.033 6.087 1.00 0.00 N ATOM 554 CA LYS A 52 10.003 -12.500 6.326 1.00 0.00 C ATOM 555 C LYS A 52 9.420 -13.244 5.130 1.00 0.00 C ATOM 556 O LYS A 52 10.079 -13.422 4.125 1.00 0.00 O ATOM 557 CB LYS A 52 9.118 -12.777 7.553 1.00 0.00 C ATOM 558 CG LYS A 52 9.834 -12.287 8.813 1.00 0.00 C ATOM 559 CD LYS A 52 8.792 -11.970 9.890 1.00 0.00 C ATOM 560 CE LYS A 52 9.408 -12.208 11.272 1.00 0.00 C ATOM 561 NZ LYS A 52 10.736 -11.538 11.379 1.00 0.00 N ATOM 0 H LYS A 52 9.115 -10.566 6.198 1.00 0.00 H new ATOM 0 HA LYS A 52 11.025 -12.843 6.485 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.159 -12.271 7.446 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.908 -13.844 7.631 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.526 -13.048 9.172 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.425 -11.399 8.589 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.461 -10.935 9.799 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.912 -12.599 9.758 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.740 -11.827 12.044 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.520 -13.278 11.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.990 -11.429 12.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.456 -12.116 10.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.689 -10.601 10.930 1.00 0.00 H new ATOM 575 N MET A 53 8.190 -13.661 5.264 1.00 0.00 N ATOM 576 CA MET A 53 7.533 -14.398 4.152 1.00 0.00 C ATOM 577 C MET A 53 6.070 -14.668 4.486 1.00 0.00 C ATOM 578 O MET A 53 5.743 -15.687 5.062 1.00 0.00 O ATOM 579 CB MET A 53 8.253 -15.747 3.969 1.00 0.00 C ATOM 580 CG MET A 53 7.533 -16.560 2.890 1.00 0.00 C ATOM 581 SD MET A 53 8.560 -17.503 1.733 1.00 0.00 S ATOM 582 CE MET A 53 9.649 -18.268 2.959 1.00 0.00 C ATOM 0 H MET A 53 7.614 -13.523 6.095 1.00 0.00 H new ATOM 0 HA MET A 53 7.587 -13.800 3.242 1.00 0.00 H new ATOM 0 HB2 MET A 53 9.292 -15.582 3.684 1.00 0.00 H new ATOM 0 HB3 MET A 53 8.264 -16.298 4.910 1.00 0.00 H new ATOM 0 HG2 MET A 53 6.859 -17.257 3.387 1.00 0.00 H new ATOM 0 HG3 MET A 53 6.913 -15.876 2.310 1.00 0.00 H new ATOM 0 HE1 MET A 53 10.097 -19.168 2.537 1.00 0.00 H new ATOM 0 HE2 MET A 53 10.436 -17.566 3.235 1.00 0.00 H new ATOM 0 HE3 MET A 53 9.071 -18.531 3.845 1.00 0.00 H new ATOM 592 N HIS A 54 5.214 -13.751 4.122 1.00 0.00 N ATOM 593 CA HIS A 54 3.773 -13.948 4.416 1.00 0.00 C ATOM 594 C HIS A 54 2.899 -13.255 3.384 1.00 0.00 C ATOM 595 O HIS A 54 2.233 -13.895 2.595 1.00 0.00 O ATOM 596 CB HIS A 54 3.479 -13.347 5.802 1.00 0.00 C ATOM 597 CG HIS A 54 1.989 -13.497 6.118 1.00 0.00 C ATOM 598 ND1 HIS A 54 1.078 -12.813 5.606 1.00 0.00 N ATOM 599 CD2 HIS A 54 1.354 -14.362 6.988 1.00 0.00 C ATOM 600 CE1 HIS A 54 -0.062 -13.147 6.052 1.00 0.00 C ATOM 601 NE2 HIS A 54 0.012 -14.134 6.946 1.00 0.00 N ATOM 0 H HIS A 54 5.450 -12.884 3.639 1.00 0.00 H new ATOM 0 HA HIS A 54 3.550 -15.015 4.391 1.00 0.00 H new ATOM 0 HB2 HIS A 54 4.075 -13.851 6.563 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.761 -12.294 5.821 1.00 0.00 H new ATOM 0 HD2 HIS A 54 1.844 -15.102 7.604 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -0.988 -12.684 5.743 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -0.738 -14.596 7.461 1.00 0.00 H new ATOM 609 N GLY A 55 2.918 -11.964 3.411 1.00 0.00 N ATOM 610 CA GLY A 55 2.091 -11.197 2.435 1.00 0.00 C ATOM 611 C GLY A 55 2.903 -10.845 1.187 1.00 0.00 C ATOM 612 O GLY A 55 4.115 -10.922 1.187 1.00 0.00 O ATOM 0 H GLY A 55 3.465 -11.399 4.061 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.218 -11.785 2.152 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.723 -10.284 2.903 1.00 0.00 H new ATOM 616 N ASP A 56 2.209 -10.464 0.148 1.00 0.00 N ATOM 617 CA ASP A 56 2.906 -10.100 -1.109 1.00 0.00 C ATOM 618 C ASP A 56 3.656 -8.767 -0.948 1.00 0.00 C ATOM 619 O ASP A 56 4.862 -8.756 -0.795 1.00 0.00 O ATOM 620 CB ASP A 56 1.847 -9.987 -2.216 1.00 0.00 C ATOM 621 CG ASP A 56 2.207 -10.940 -3.358 1.00 0.00 C ATOM 622 OD1 ASP A 56 2.339 -12.116 -3.059 1.00 0.00 O ATOM 623 OD2 ASP A 56 2.330 -10.439 -4.463 1.00 0.00 O ATOM 0 H ASP A 56 1.192 -10.391 0.120 1.00 0.00 H new ATOM 0 HA ASP A 56 3.643 -10.862 -1.363 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.862 -10.232 -1.819 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.797 -8.962 -2.584 1.00 0.00 H new ATOM 628 N TYR A 57 2.936 -7.672 -1.001 1.00 0.00 N ATOM 629 CA TYR A 57 3.598 -6.357 -0.850 1.00 0.00 C ATOM 630 C TYR A 57 2.700 -5.388 -0.093 1.00 0.00 C ATOM 631 O TYR A 57 1.808 -5.787 0.624 1.00 0.00 O ATOM 632 CB TYR A 57 3.883 -5.790 -2.243 1.00 0.00 C ATOM 633 CG TYR A 57 4.768 -6.767 -3.000 1.00 0.00 C ATOM 634 CD1 TYR A 57 6.124 -6.732 -2.841 1.00 0.00 C ATOM 635 CD2 TYR A 57 4.216 -7.731 -3.797 1.00 0.00 C ATOM 636 CE1 TYR A 57 6.927 -7.656 -3.462 1.00 0.00 C ATOM 637 CE2 TYR A 57 5.011 -8.660 -4.424 1.00 0.00 C ATOM 638 CZ TYR A 57 6.377 -8.631 -4.263 1.00 0.00 C ATOM 639 OH TYR A 57 7.180 -9.559 -4.894 1.00 0.00 O ATOM 0 H TYR A 57 1.926 -7.641 -1.142 1.00 0.00 H new ATOM 0 HA TYR A 57 4.524 -6.486 -0.290 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.950 -5.630 -2.783 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.375 -4.821 -2.162 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.569 -5.969 -2.220 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.145 -7.763 -3.935 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.997 -7.618 -3.321 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.560 -9.418 -5.047 1.00 0.00 H new ATOM 0 HH TYR A 57 6.623 -10.172 -5.417 1.00 0.00 H new ATOM 649 N THR A 58 2.949 -4.136 -0.271 1.00 0.00 N ATOM 650 CA THR A 58 2.133 -3.129 0.425 1.00 0.00 C ATOM 651 C THR A 58 2.050 -1.858 -0.396 1.00 0.00 C ATOM 652 O THR A 58 3.055 -1.249 -0.711 1.00 0.00 O ATOM 653 CB THR A 58 2.800 -2.846 1.766 1.00 0.00 C ATOM 654 OG1 THR A 58 2.000 -3.513 2.720 1.00 0.00 O ATOM 655 CG2 THR A 58 2.703 -1.369 2.163 1.00 0.00 C ATOM 0 H THR A 58 3.686 -3.765 -0.871 1.00 0.00 H new ATOM 0 HA THR A 58 1.118 -3.497 0.571 1.00 0.00 H new ATOM 0 HB THR A 58 3.847 -3.146 1.712 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.703 -4.373 2.355 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.193 -1.218 3.125 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.193 -0.756 1.406 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.655 -1.081 2.240 1.00 0.00 H new ATOM 663 N LEU A 59 0.856 -1.482 -0.741 1.00 0.00 N ATOM 664 CA LEU A 59 0.691 -0.254 -1.541 1.00 0.00 C ATOM 665 C LEU A 59 0.974 0.963 -0.693 1.00 0.00 C ATOM 666 O LEU A 59 0.505 1.068 0.424 1.00 0.00 O ATOM 667 CB LEU A 59 -0.762 -0.183 -2.042 1.00 0.00 C ATOM 668 CG LEU A 59 -0.815 -0.574 -3.521 1.00 0.00 C ATOM 669 CD1 LEU A 59 -0.456 -2.053 -3.664 1.00 0.00 C ATOM 670 CD2 LEU A 59 -2.238 -0.356 -4.038 1.00 0.00 C ATOM 0 H LEU A 59 -0.007 -1.972 -0.503 1.00 0.00 H new ATOM 0 HA LEU A 59 1.386 -0.275 -2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.392 -0.852 -1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.155 0.825 -1.908 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.111 0.033 -4.091 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.492 -2.336 -4.716 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.549 -2.223 -3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.168 -2.656 -3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.289 -0.631 -5.091 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.931 -0.974 -3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.510 0.693 -3.924 1.00 0.00 H new ATOM 682 N THR A 60 1.736 1.862 -1.240 1.00 0.00 N ATOM 683 CA THR A 60 2.075 3.090 -0.495 1.00 0.00 C ATOM 684 C THR A 60 1.992 4.297 -1.410 1.00 0.00 C ATOM 685 O THR A 60 2.483 4.263 -2.522 1.00 0.00 O ATOM 686 CB THR A 60 3.506 2.953 0.034 1.00 0.00 C ATOM 687 OG1 THR A 60 3.362 2.562 1.383 1.00 0.00 O ATOM 688 CG2 THR A 60 4.212 4.324 0.103 1.00 0.00 C ATOM 0 H THR A 60 2.138 1.795 -2.175 1.00 0.00 H new ATOM 0 HA THR A 60 1.374 3.226 0.328 1.00 0.00 H new ATOM 0 HB THR A 60 4.069 2.271 -0.603 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.777 3.197 1.847 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.225 4.193 0.482 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.252 4.763 -0.894 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.658 4.985 0.769 1.00 0.00 H new ATOM 696 N LEU A 61 1.372 5.345 -0.927 1.00 0.00 N ATOM 697 CA LEU A 61 1.248 6.566 -1.767 1.00 0.00 C ATOM 698 C LEU A 61 1.495 7.819 -0.988 1.00 0.00 C ATOM 699 O LEU A 61 1.389 7.849 0.217 1.00 0.00 O ATOM 700 CB LEU A 61 -0.174 6.661 -2.376 1.00 0.00 C ATOM 701 CG LEU A 61 -1.255 6.188 -1.385 1.00 0.00 C ATOM 702 CD1 LEU A 61 -2.213 7.350 -1.113 1.00 0.00 C ATOM 703 CD2 LEU A 61 -2.048 5.027 -2.004 1.00 0.00 C ATOM 0 H LEU A 61 0.953 5.404 0.001 1.00 0.00 H new ATOM 0 HA LEU A 61 2.003 6.478 -2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.376 7.691 -2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.222 6.057 -3.282 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.785 5.857 -0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.984 7.029 -0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.659 8.186 -0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.679 7.664 -2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.812 4.693 -1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.523 5.362 -2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.372 4.201 -2.224 1.00 0.00 H new ATOM 715 N ARG A 62 1.829 8.841 -1.708 1.00 0.00 N ATOM 716 CA ARG A 62 2.094 10.122 -1.067 1.00 0.00 C ATOM 717 C ARG A 62 0.826 10.939 -1.052 1.00 0.00 C ATOM 718 O ARG A 62 0.352 11.372 -2.096 1.00 0.00 O ATOM 719 CB ARG A 62 3.150 10.856 -1.884 1.00 0.00 C ATOM 720 CG ARG A 62 3.615 12.091 -1.116 1.00 0.00 C ATOM 721 CD ARG A 62 4.372 11.669 0.154 1.00 0.00 C ATOM 722 NE ARG A 62 5.560 12.551 0.318 1.00 0.00 N ATOM 723 CZ ARG A 62 6.323 12.412 1.366 1.00 0.00 C ATOM 724 NH1 ARG A 62 6.368 11.253 1.964 1.00 0.00 N ATOM 725 NH2 ARG A 62 7.012 13.438 1.783 1.00 0.00 N ATOM 0 H ARG A 62 1.928 8.833 -2.723 1.00 0.00 H new ATOM 0 HA ARG A 62 2.442 9.970 -0.045 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.996 10.197 -2.082 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.740 11.148 -2.851 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.261 12.700 -1.748 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.757 12.708 -0.849 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.721 11.746 1.025 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.683 10.627 0.080 1.00 0.00 H new ATOM 0 HE ARG A 62 5.775 13.259 -0.384 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.812 10.475 1.610 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.959 11.126 2.785 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.948 14.329 1.291 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.615 13.349 2.601 1.00 0.00 H new ATOM 739 N LYS A 63 0.287 11.121 0.125 1.00 0.00 N ATOM 740 CA LYS A 63 -0.962 11.907 0.254 1.00 0.00 C ATOM 741 C LYS A 63 -0.665 13.390 0.425 1.00 0.00 C ATOM 742 O LYS A 63 -1.454 14.130 0.981 1.00 0.00 O ATOM 743 CB LYS A 63 -1.712 11.384 1.489 1.00 0.00 C ATOM 744 CG LYS A 63 -3.025 10.726 1.045 1.00 0.00 C ATOM 745 CD LYS A 63 -3.639 9.968 2.227 1.00 0.00 C ATOM 746 CE LYS A 63 -5.067 10.467 2.454 1.00 0.00 C ATOM 747 NZ LYS A 63 -5.061 11.895 2.881 1.00 0.00 N ATOM 0 H LYS A 63 0.663 10.756 1.000 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.562 11.794 -0.649 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.094 10.664 2.026 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.917 12.203 2.178 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.720 11.484 0.684 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.840 10.042 0.217 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.643 8.897 2.026 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.040 10.122 3.124 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.646 10.358 1.537 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.555 9.856 3.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.917 12.095 3.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.219 12.080 3.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.042 12.508 2.041 1.00 0.00 H new ATOM 761 N GLY A 64 0.463 13.795 -0.074 1.00 0.00 N ATOM 762 CA GLY A 64 0.851 15.233 0.039 1.00 0.00 C ATOM 763 C GLY A 64 1.912 15.423 1.119 1.00 0.00 C ATOM 764 O GLY A 64 1.685 16.084 2.112 1.00 0.00 O ATOM 0 H GLY A 64 1.136 13.199 -0.555 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.232 15.588 -0.918 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.027 15.834 0.275 1.00 0.00 H new ATOM 768 N GLY A 65 3.045 14.840 0.897 1.00 0.00 N ATOM 769 CA GLY A 65 4.148 14.966 1.892 1.00 0.00 C ATOM 770 C GLY A 65 4.051 13.873 2.958 1.00 0.00 C ATOM 771 O GLY A 65 4.933 13.736 3.786 1.00 0.00 O ATOM 0 H GLY A 65 3.263 14.280 0.073 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.110 14.900 1.384 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.105 15.947 2.366 1.00 0.00 H new ATOM 775 N ASN A 66 2.979 13.119 2.914 1.00 0.00 N ATOM 776 CA ASN A 66 2.795 12.027 3.912 1.00 0.00 C ATOM 777 C ASN A 66 2.608 10.684 3.215 1.00 0.00 C ATOM 778 O ASN A 66 1.653 10.483 2.490 1.00 0.00 O ATOM 779 CB ASN A 66 1.539 12.337 4.735 1.00 0.00 C ATOM 780 CG ASN A 66 1.599 11.564 6.055 1.00 0.00 C ATOM 781 OD1 ASN A 66 1.690 12.139 7.121 1.00 0.00 O ATOM 782 ND2 ASN A 66 1.553 10.261 6.027 1.00 0.00 N ATOM 0 H ASN A 66 2.227 13.215 2.231 1.00 0.00 H new ATOM 0 HA ASN A 66 3.678 11.969 4.548 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.472 13.407 4.929 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.646 12.058 4.176 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.593 9.730 6.897 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.477 9.772 5.135 1.00 0.00 H new ATOM 789 N ASN A 67 3.526 9.787 3.449 1.00 0.00 N ATOM 790 CA ASN A 67 3.426 8.450 2.812 1.00 0.00 C ATOM 791 C ASN A 67 2.405 7.572 3.533 1.00 0.00 C ATOM 792 O ASN A 67 2.613 7.171 4.661 1.00 0.00 O ATOM 793 CB ASN A 67 4.805 7.766 2.896 1.00 0.00 C ATOM 794 CG ASN A 67 5.699 8.526 3.880 1.00 0.00 C ATOM 795 OD1 ASN A 67 5.302 8.838 4.986 1.00 0.00 O ATOM 796 ND2 ASN A 67 6.914 8.840 3.519 1.00 0.00 N ATOM 0 H ASN A 67 4.337 9.924 4.052 1.00 0.00 H new ATOM 0 HA ASN A 67 3.108 8.578 1.777 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.689 6.731 3.219 1.00 0.00 H new ATOM 0 HB3 ASN A 67 5.270 7.742 1.911 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.523 9.344 4.163 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.254 8.581 2.593 1.00 0.00 H new ATOM 803 N LYS A 68 1.319 7.288 2.865 1.00 0.00 N ATOM 804 CA LYS A 68 0.280 6.438 3.491 1.00 0.00 C ATOM 805 C LYS A 68 0.577 4.970 3.199 1.00 0.00 C ATOM 806 O LYS A 68 1.175 4.654 2.189 1.00 0.00 O ATOM 807 CB LYS A 68 -1.080 6.813 2.883 1.00 0.00 C ATOM 808 CG LYS A 68 -2.198 6.220 3.742 1.00 0.00 C ATOM 809 CD LYS A 68 -3.186 5.491 2.833 1.00 0.00 C ATOM 810 CE LYS A 68 -4.421 5.097 3.645 1.00 0.00 C ATOM 811 NZ LYS A 68 -4.059 4.109 4.700 1.00 0.00 N ATOM 0 H LYS A 68 1.112 7.608 1.919 1.00 0.00 H new ATOM 0 HA LYS A 68 0.268 6.592 4.570 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.182 7.897 2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.151 6.437 1.862 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.783 5.531 4.477 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.707 7.009 4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.473 6.132 2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.719 4.604 2.406 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.860 5.983 4.104 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.177 4.672 2.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.888 3.522 4.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.288 3.502 4.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.749 4.613 5.555 1.00 0.00 H new ATOM 825 N LEU A 69 0.145 4.095 4.085 1.00 0.00 N ATOM 826 CA LEU A 69 0.404 2.639 3.871 1.00 0.00 C ATOM 827 C LEU A 69 -0.874 1.836 3.642 1.00 0.00 C ATOM 828 O LEU A 69 -1.866 2.023 4.317 1.00 0.00 O ATOM 829 CB LEU A 69 1.089 2.096 5.136 1.00 0.00 C ATOM 830 CG LEU A 69 1.966 0.896 4.766 1.00 0.00 C ATOM 831 CD1 LEU A 69 3.394 1.381 4.493 1.00 0.00 C ATOM 832 CD2 LEU A 69 1.990 -0.090 5.936 1.00 0.00 C ATOM 0 H LEU A 69 -0.369 4.328 4.935 1.00 0.00 H new ATOM 0 HA LEU A 69 1.022 2.535 2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.696 2.875 5.597 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.339 1.800 5.870 1.00 0.00 H new ATOM 0 HG LEU A 69 1.564 0.408 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.023 0.531 4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.385 2.095 3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.792 1.863 5.386 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.613 -0.946 5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.398 0.403 6.819 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.976 -0.430 6.146 1.00 0.00 H new ATOM 844 N ILE A 70 -0.807 0.947 2.679 1.00 0.00 N ATOM 845 CA ILE A 70 -1.982 0.096 2.356 1.00 0.00 C ATOM 846 C ILE A 70 -1.511 -1.341 2.161 1.00 0.00 C ATOM 847 O ILE A 70 -0.638 -1.605 1.358 1.00 0.00 O ATOM 848 CB ILE A 70 -2.632 0.610 1.069 1.00 0.00 C ATOM 849 CG1 ILE A 70 -3.408 1.882 1.380 1.00 0.00 C ATOM 850 CG2 ILE A 70 -3.624 -0.455 0.551 1.00 0.00 C ATOM 851 CD1 ILE A 70 -3.138 2.914 0.296 1.00 0.00 C ATOM 0 H ILE A 70 0.018 0.778 2.104 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.710 0.133 3.166 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.865 0.810 0.321 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.475 1.666 1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.111 2.274 2.353 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.093 -0.099 -0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.089 -1.383 0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.391 -0.635 1.305 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.692 3.826 0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.071 3.137 0.263 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.456 2.520 -0.669 1.00 0.00 H new ATOM 863 N LYS A 71 -2.096 -2.243 2.894 1.00 0.00 N ATOM 864 CA LYS A 71 -1.686 -3.664 2.764 1.00 0.00 C ATOM 865 C LYS A 71 -2.398 -4.396 1.625 1.00 0.00 C ATOM 866 O LYS A 71 -3.500 -4.061 1.239 1.00 0.00 O ATOM 867 CB LYS A 71 -2.029 -4.371 4.082 1.00 0.00 C ATOM 868 CG LYS A 71 -1.062 -5.543 4.295 1.00 0.00 C ATOM 869 CD LYS A 71 -1.424 -6.269 5.598 1.00 0.00 C ATOM 870 CE LYS A 71 -1.256 -7.778 5.401 1.00 0.00 C ATOM 871 NZ LYS A 71 -2.119 -8.259 4.285 1.00 0.00 N ATOM 0 H LYS A 71 -2.835 -2.059 3.573 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.619 -3.684 2.541 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.958 -3.670 4.913 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.057 -4.733 4.057 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.118 -6.233 3.453 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.036 -5.179 4.341 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.784 -5.923 6.410 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.451 -6.040 5.882 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.212 -8.009 5.187 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.516 -8.302 6.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.442 -9.226 4.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.943 -7.632 4.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.575 -8.255 3.399 1.00 0.00 H new ATOM 885 N ILE A 72 -1.719 -5.390 1.117 1.00 0.00 N ATOM 886 CA ILE A 72 -2.267 -6.210 0.006 1.00 0.00 C ATOM 887 C ILE A 72 -2.699 -7.550 0.596 1.00 0.00 C ATOM 888 O ILE A 72 -1.889 -8.245 1.176 1.00 0.00 O ATOM 889 CB ILE A 72 -1.117 -6.433 -0.998 1.00 0.00 C ATOM 890 CG1 ILE A 72 -1.075 -5.293 -2.033 1.00 0.00 C ATOM 891 CG2 ILE A 72 -1.296 -7.795 -1.713 1.00 0.00 C ATOM 892 CD1 ILE A 72 -2.104 -5.521 -3.153 1.00 0.00 C ATOM 0 H ILE A 72 -0.791 -5.670 1.434 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.113 -5.731 -0.486 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.174 -6.439 -0.452 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.276 -4.342 -1.539 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.075 -5.225 -2.462 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.480 -7.945 -2.420 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.288 -8.597 -0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.246 -7.803 -2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.051 -4.700 -3.868 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.886 -6.460 -3.661 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.105 -5.564 -2.724 1.00 0.00 H new ATOM 904 N PHE A 73 -3.952 -7.908 0.443 1.00 0.00 N ATOM 905 CA PHE A 73 -4.385 -9.205 1.019 1.00 0.00 C ATOM 906 C PHE A 73 -4.198 -10.349 0.031 1.00 0.00 C ATOM 907 O PHE A 73 -5.015 -10.575 -0.831 1.00 0.00 O ATOM 908 CB PHE A 73 -5.874 -9.109 1.433 1.00 0.00 C ATOM 909 CG PHE A 73 -6.344 -7.646 1.384 1.00 0.00 C ATOM 910 CD1 PHE A 73 -5.618 -6.645 2.015 1.00 0.00 C ATOM 911 CD2 PHE A 73 -7.494 -7.303 0.696 1.00 0.00 C ATOM 912 CE1 PHE A 73 -6.035 -5.331 1.952 1.00 0.00 C ATOM 913 CE2 PHE A 73 -7.908 -5.986 0.636 1.00 0.00 C ATOM 914 CZ PHE A 73 -7.176 -5.002 1.262 1.00 0.00 C ATOM 0 H PHE A 73 -4.670 -7.371 -0.043 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.765 -9.415 1.891 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.485 -9.718 0.766 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.006 -9.508 2.439 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.720 -6.897 2.559 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -8.072 -8.070 0.202 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.463 -4.560 2.446 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.808 -5.728 0.097 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.499 -3.973 1.210 1.00 0.00 H new ATOM 924 N HIS A 74 -3.095 -11.038 0.183 1.00 0.00 N ATOM 925 CA HIS A 74 -2.786 -12.185 -0.712 1.00 0.00 C ATOM 926 C HIS A 74 -3.003 -13.494 0.056 1.00 0.00 C ATOM 927 O HIS A 74 -3.101 -13.478 1.267 1.00 0.00 O ATOM 928 CB HIS A 74 -1.306 -12.087 -1.114 1.00 0.00 C ATOM 929 CG HIS A 74 -0.723 -13.492 -1.234 1.00 0.00 C ATOM 930 ND1 HIS A 74 -0.061 -14.069 -0.347 1.00 0.00 N ATOM 931 CD2 HIS A 74 -0.801 -14.387 -2.278 1.00 0.00 C ATOM 932 CE1 HIS A 74 0.289 -15.231 -0.712 1.00 0.00 C ATOM 933 NE2 HIS A 74 -0.138 -15.528 -1.940 1.00 0.00 N ATOM 0 H HIS A 74 -2.391 -10.850 0.897 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.428 -12.165 -1.592 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.209 -11.558 -2.062 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.752 -11.513 -0.371 1.00 0.00 H new ATOM 0 HD1 HIS A 74 0.169 -13.657 0.557 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.307 -14.212 -3.216 1.00 0.00 H new ATOM 0 HE1 HIS A 74 0.868 -15.905 -0.098 1.00 0.00 H new ATOM 941 N ARG A 75 -3.080 -14.608 -0.637 1.00 0.00 N ATOM 942 CA ARG A 75 -3.289 -15.883 0.111 1.00 0.00 C ATOM 943 C ARG A 75 -2.933 -17.124 -0.718 1.00 0.00 C ATOM 944 O ARG A 75 -1.888 -17.712 -0.529 1.00 0.00 O ATOM 945 CB ARG A 75 -4.768 -15.967 0.534 1.00 0.00 C ATOM 946 CG ARG A 75 -4.900 -16.988 1.667 1.00 0.00 C ATOM 947 CD ARG A 75 -6.344 -17.012 2.159 1.00 0.00 C ATOM 948 NE ARG A 75 -6.463 -18.008 3.262 1.00 0.00 N ATOM 949 CZ ARG A 75 -6.508 -17.594 4.499 1.00 0.00 C ATOM 950 NH1 ARG A 75 -7.668 -17.317 5.030 1.00 0.00 N ATOM 951 NH2 ARG A 75 -5.391 -17.469 5.163 1.00 0.00 N ATOM 0 H ARG A 75 -3.010 -14.687 -1.651 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.626 -15.872 0.976 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.122 -14.990 0.863 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.387 -16.262 -0.314 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.607 -17.977 1.316 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.229 -16.728 2.486 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.639 -16.023 2.511 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.016 -17.273 1.342 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.509 -19.005 3.052 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.520 -17.425 4.480 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.722 -16.992 5.995 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.503 -17.693 4.714 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.406 -17.147 6.131 1.00 0.00 H new ATOM 965 N ASP A 76 -3.804 -17.502 -1.615 1.00 0.00 N ATOM 966 CA ASP A 76 -3.516 -18.700 -2.445 1.00 0.00 C ATOM 967 C ASP A 76 -2.760 -18.328 -3.723 1.00 0.00 C ATOM 968 O ASP A 76 -2.886 -18.982 -4.740 1.00 0.00 O ATOM 969 CB ASP A 76 -4.858 -19.353 -2.806 1.00 0.00 C ATOM 970 CG ASP A 76 -5.181 -20.438 -1.775 1.00 0.00 C ATOM 971 OD1 ASP A 76 -4.429 -21.400 -1.747 1.00 0.00 O ATOM 972 OD2 ASP A 76 -6.160 -20.244 -1.074 1.00 0.00 O ATOM 0 H ASP A 76 -4.692 -17.037 -1.805 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.884 -19.387 -1.882 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -5.649 -18.603 -2.823 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.809 -19.786 -3.805 1.00 0.00 H new ATOM 977 N GLY A 77 -1.978 -17.290 -3.642 1.00 0.00 N ATOM 978 CA GLY A 77 -1.206 -16.862 -4.841 1.00 0.00 C ATOM 979 C GLY A 77 -1.939 -15.751 -5.592 1.00 0.00 C ATOM 980 O GLY A 77 -1.371 -15.102 -6.447 1.00 0.00 O ATOM 0 H GLY A 77 -1.840 -16.723 -2.805 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.219 -16.512 -4.538 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.052 -17.714 -5.503 1.00 0.00 H new ATOM 984 N LYS A 78 -3.185 -15.553 -5.258 1.00 0.00 N ATOM 985 CA LYS A 78 -3.956 -14.496 -5.940 1.00 0.00 C ATOM 986 C LYS A 78 -3.849 -13.188 -5.165 1.00 0.00 C ATOM 987 O LYS A 78 -2.955 -13.025 -4.364 1.00 0.00 O ATOM 988 CB LYS A 78 -5.435 -14.938 -6.030 1.00 0.00 C ATOM 989 CG LYS A 78 -5.606 -16.355 -5.470 1.00 0.00 C ATOM 990 CD LYS A 78 -7.022 -16.838 -5.787 1.00 0.00 C ATOM 991 CE LYS A 78 -7.370 -18.025 -4.886 1.00 0.00 C ATOM 992 NZ LYS A 78 -8.647 -18.655 -5.325 1.00 0.00 N ATOM 0 H LYS A 78 -3.693 -16.078 -4.546 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.557 -14.338 -6.942 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.063 -14.242 -5.474 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.767 -14.908 -7.068 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.870 -17.027 -5.911 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.437 -16.359 -4.393 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.736 -16.029 -5.633 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.092 -17.130 -6.835 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.566 -18.760 -4.916 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.459 -17.691 -3.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.869 -19.459 -4.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.415 -17.955 -5.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.550 -18.991 -6.304 1.00 0.00 H new ATOM 1006 N TYR A 79 -4.758 -12.275 -5.418 1.00 0.00 N ATOM 1007 CA TYR A 79 -4.707 -10.974 -4.695 1.00 0.00 C ATOM 1008 C TYR A 79 -6.041 -10.623 -4.093 1.00 0.00 C ATOM 1009 O TYR A 79 -7.073 -11.088 -4.534 1.00 0.00 O ATOM 1010 CB TYR A 79 -4.320 -9.877 -5.688 1.00 0.00 C ATOM 1011 CG TYR A 79 -2.827 -9.950 -5.951 1.00 0.00 C ATOM 1012 CD1 TYR A 79 -2.311 -10.962 -6.719 1.00 0.00 C ATOM 1013 CD2 TYR A 79 -1.976 -8.999 -5.433 1.00 0.00 C ATOM 1014 CE1 TYR A 79 -0.965 -11.032 -6.979 1.00 0.00 C ATOM 1015 CE2 TYR A 79 -0.624 -9.064 -5.689 1.00 0.00 C ATOM 1016 CZ TYR A 79 -0.106 -10.083 -6.465 1.00 0.00 C ATOM 1017 OH TYR A 79 1.249 -10.151 -6.717 1.00 0.00 O ATOM 0 H TYR A 79 -5.522 -12.377 -6.086 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.976 -11.058 -3.891 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.872 -10.001 -6.619 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.584 -8.898 -5.289 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.972 -11.714 -7.125 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.370 -8.199 -4.824 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.577 -11.834 -7.589 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.036 -8.313 -5.280 1.00 0.00 H new ATOM 0 HH TYR A 79 1.744 -10.039 -5.879 1.00 0.00 H new ATOM 1027 N GLY A 80 -5.987 -9.798 -3.091 1.00 0.00 N ATOM 1028 CA GLY A 80 -7.227 -9.372 -2.409 1.00 0.00 C ATOM 1029 C GLY A 80 -7.261 -7.859 -2.326 1.00 0.00 C ATOM 1030 O GLY A 80 -6.444 -7.250 -1.655 1.00 0.00 O ATOM 0 H GLY A 80 -5.127 -9.399 -2.714 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.098 -9.737 -2.953 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.272 -9.803 -1.409 1.00 0.00 H new ATOM 1034 N PHE A 81 -8.189 -7.284 -3.026 1.00 0.00 N ATOM 1035 CA PHE A 81 -8.313 -5.820 -3.018 1.00 0.00 C ATOM 1036 C PHE A 81 -9.758 -5.433 -3.232 1.00 0.00 C ATOM 1037 O PHE A 81 -10.196 -4.367 -2.848 1.00 0.00 O ATOM 1038 CB PHE A 81 -7.477 -5.260 -4.166 1.00 0.00 C ATOM 1039 CG PHE A 81 -6.560 -4.185 -3.611 1.00 0.00 C ATOM 1040 CD1 PHE A 81 -5.462 -4.533 -2.857 1.00 0.00 C ATOM 1041 CD2 PHE A 81 -6.847 -2.849 -3.807 1.00 0.00 C ATOM 1042 CE1 PHE A 81 -4.664 -3.561 -2.297 1.00 0.00 C ATOM 1043 CE2 PHE A 81 -6.049 -1.875 -3.246 1.00 0.00 C ATOM 1044 CZ PHE A 81 -4.958 -2.234 -2.490 1.00 0.00 C ATOM 0 H PHE A 81 -8.870 -7.775 -3.606 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.969 -5.423 -2.063 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.893 -6.054 -4.632 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -8.124 -4.845 -4.939 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.225 -5.575 -2.704 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.702 -2.565 -4.403 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -3.806 -3.843 -1.705 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -6.280 -0.831 -3.400 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.333 -1.472 -2.048 1.00 0.00 H new ATOM 1054 N SER A 82 -10.469 -6.321 -3.846 1.00 0.00 N ATOM 1055 CA SER A 82 -11.900 -6.069 -4.122 1.00 0.00 C ATOM 1056 C SER A 82 -12.663 -7.368 -4.094 1.00 0.00 C ATOM 1057 O SER A 82 -13.534 -7.569 -3.272 1.00 0.00 O ATOM 1058 CB SER A 82 -12.029 -5.452 -5.514 1.00 0.00 C ATOM 1059 OG SER A 82 -12.722 -4.233 -5.294 1.00 0.00 O ATOM 0 H SER A 82 -10.118 -7.221 -4.173 1.00 0.00 H new ATOM 0 HA SER A 82 -12.304 -5.395 -3.366 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.052 -5.278 -5.964 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.580 -6.106 -6.190 1.00 0.00 H new ATOM 0 HG SER A 82 -12.846 -3.768 -6.148 1.00 0.00 H new ATOM 1065 N ASP A 83 -12.320 -8.230 -4.991 1.00 0.00 N ATOM 1066 CA ASP A 83 -13.007 -9.532 -5.042 1.00 0.00 C ATOM 1067 C ASP A 83 -12.473 -10.438 -3.911 1.00 0.00 C ATOM 1068 O ASP A 83 -11.319 -10.338 -3.566 1.00 0.00 O ATOM 1069 CB ASP A 83 -12.676 -10.189 -6.396 1.00 0.00 C ATOM 1070 CG ASP A 83 -13.972 -10.461 -7.161 1.00 0.00 C ATOM 1071 OD1 ASP A 83 -14.490 -9.503 -7.708 1.00 0.00 O ATOM 1072 OD2 ASP A 83 -14.372 -11.616 -7.157 1.00 0.00 O ATOM 0 H ASP A 83 -11.593 -8.090 -5.692 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.082 -9.397 -4.925 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.027 -9.537 -6.980 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.133 -11.120 -6.237 1.00 0.00 H new ATOM 1077 N PRO A 84 -13.323 -11.308 -3.337 1.00 0.00 N ATOM 1078 CA PRO A 84 -12.873 -12.197 -2.259 1.00 0.00 C ATOM 1079 C PRO A 84 -11.749 -13.114 -2.768 1.00 0.00 C ATOM 1080 O PRO A 84 -11.944 -14.295 -2.976 1.00 0.00 O ATOM 1081 CB PRO A 84 -14.137 -13.028 -1.879 1.00 0.00 C ATOM 1082 CG PRO A 84 -15.271 -12.623 -2.870 1.00 0.00 C ATOM 1083 CD PRO A 84 -14.744 -11.457 -3.719 1.00 0.00 C ATOM 0 HA PRO A 84 -12.472 -11.652 -1.404 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.930 -14.096 -1.947 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -14.435 -12.826 -0.850 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.546 -13.466 -3.504 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.168 -12.327 -2.326 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.845 -11.668 -4.784 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.303 -10.542 -3.521 1.00 0.00 H new ATOM 1091 N LEU A 85 -10.580 -12.534 -2.940 1.00 0.00 N ATOM 1092 CA LEU A 85 -9.420 -13.315 -3.431 1.00 0.00 C ATOM 1093 C LEU A 85 -9.863 -14.383 -4.428 1.00 0.00 C ATOM 1094 O LEU A 85 -9.578 -15.553 -4.271 1.00 0.00 O ATOM 1095 CB LEU A 85 -8.710 -13.960 -2.230 1.00 0.00 C ATOM 1096 CG LEU A 85 -7.686 -12.955 -1.683 1.00 0.00 C ATOM 1097 CD1 LEU A 85 -7.469 -13.209 -0.199 1.00 0.00 C ATOM 1098 CD2 LEU A 85 -6.358 -13.134 -2.419 1.00 0.00 C ATOM 0 H LEU A 85 -10.390 -11.549 -2.758 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.731 -12.647 -3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.433 -14.225 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.214 -14.882 -2.532 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.058 -11.941 -1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.742 -12.496 0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.413 -13.091 0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.096 -14.223 -0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.629 -12.422 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.991 -14.149 -2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.506 -12.959 -3.485 1.00 0.00 H new ATOM 1110 N THR A 86 -10.583 -13.938 -5.432 1.00 0.00 N ATOM 1111 CA THR A 86 -11.077 -14.871 -6.474 1.00 0.00 C ATOM 1112 C THR A 86 -10.361 -14.591 -7.784 1.00 0.00 C ATOM 1113 O THR A 86 -10.072 -15.494 -8.543 1.00 0.00 O ATOM 1114 CB THR A 86 -12.584 -14.644 -6.667 1.00 0.00 C ATOM 1115 OG1 THR A 86 -12.829 -13.340 -6.198 1.00 0.00 O ATOM 1116 CG2 THR A 86 -13.402 -15.546 -5.730 1.00 0.00 C ATOM 0 H THR A 86 -10.847 -12.962 -5.568 1.00 0.00 H new ATOM 0 HA THR A 86 -10.888 -15.900 -6.168 1.00 0.00 H new ATOM 0 HB THR A 86 -12.851 -14.831 -7.707 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.494 -12.905 -6.772 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.465 -15.365 -5.887 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.176 -16.591 -5.943 1.00 0.00 H new ATOM 0 HG23 THR A 86 -13.145 -15.323 -4.694 1.00 0.00 H new ATOM 1124 N PHE A 87 -10.085 -13.332 -8.029 1.00 0.00 N ATOM 1125 CA PHE A 87 -9.389 -12.980 -9.281 1.00 0.00 C ATOM 1126 C PHE A 87 -7.925 -13.358 -9.163 1.00 0.00 C ATOM 1127 O PHE A 87 -7.602 -14.316 -8.495 1.00 0.00 O ATOM 1128 CB PHE A 87 -9.539 -11.459 -9.546 1.00 0.00 C ATOM 1129 CG PHE A 87 -8.694 -10.637 -8.564 1.00 0.00 C ATOM 1130 CD1 PHE A 87 -9.086 -10.490 -7.244 1.00 0.00 C ATOM 1131 CD2 PHE A 87 -7.557 -9.973 -9.000 1.00 0.00 C ATOM 1132 CE1 PHE A 87 -8.363 -9.696 -6.382 1.00 0.00 C ATOM 1133 CE2 PHE A 87 -6.836 -9.179 -8.131 1.00 0.00 C ATOM 1134 CZ PHE A 87 -7.241 -9.042 -6.824 1.00 0.00 C ATOM 0 H PHE A 87 -10.313 -12.549 -7.416 1.00 0.00 H new ATOM 0 HA PHE A 87 -9.828 -13.525 -10.117 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -9.235 -11.234 -10.568 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.587 -11.173 -9.455 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -9.967 -11.003 -6.887 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.234 -10.078 -10.025 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.680 -9.588 -5.355 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.952 -8.664 -8.478 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.676 -8.420 -6.146 1.00 0.00 H new ATOM 1144 N ASN A 88 -7.052 -12.613 -9.781 1.00 0.00 N ATOM 1145 CA ASN A 88 -5.613 -12.992 -9.664 1.00 0.00 C ATOM 1146 C ASN A 88 -4.647 -11.878 -10.041 1.00 0.00 C ATOM 1147 O ASN A 88 -3.758 -11.552 -9.288 1.00 0.00 O ATOM 1148 CB ASN A 88 -5.354 -14.176 -10.614 1.00 0.00 C ATOM 1149 CG ASN A 88 -5.794 -15.481 -9.949 1.00 0.00 C ATOM 1150 OD1 ASN A 88 -5.068 -16.075 -9.178 1.00 0.00 O ATOM 1151 ND2 ASN A 88 -6.977 -15.960 -10.221 1.00 0.00 N ATOM 0 H ASN A 88 -7.258 -11.787 -10.343 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.434 -13.233 -8.616 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -5.899 -14.031 -11.547 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.295 -14.226 -10.868 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.288 -16.829 -9.787 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.591 -15.465 -10.868 1.00 0.00 H new ATOM 1158 N SER A 89 -4.823 -11.319 -11.188 1.00 0.00 N ATOM 1159 CA SER A 89 -3.897 -10.231 -11.599 1.00 0.00 C ATOM 1160 C SER A 89 -4.283 -8.862 -11.074 1.00 0.00 C ATOM 1161 O SER A 89 -5.432 -8.432 -11.134 1.00 0.00 O ATOM 1162 CB SER A 89 -3.859 -10.166 -13.119 1.00 0.00 C ATOM 1163 OG SER A 89 -4.803 -11.141 -13.538 1.00 0.00 O ATOM 0 H SER A 89 -5.555 -11.557 -11.857 1.00 0.00 H new ATOM 0 HA SER A 89 -2.925 -10.475 -11.170 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.126 -9.173 -13.481 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.863 -10.388 -13.501 1.00 0.00 H new ATOM 0 HG SER A 89 -4.840 -11.161 -14.517 1.00 0.00 H new ATOM 1169 N VAL A 90 -3.289 -8.186 -10.604 1.00 0.00 N ATOM 1170 CA VAL A 90 -3.507 -6.845 -10.061 1.00 0.00 C ATOM 1171 C VAL A 90 -3.449 -5.847 -11.185 1.00 0.00 C ATOM 1172 O VAL A 90 -4.108 -4.827 -11.159 1.00 0.00 O ATOM 1173 CB VAL A 90 -2.405 -6.571 -9.025 1.00 0.00 C ATOM 1174 CG1 VAL A 90 -1.255 -5.763 -9.636 1.00 0.00 C ATOM 1175 CG2 VAL A 90 -3.001 -5.793 -7.858 1.00 0.00 C ATOM 0 H VAL A 90 -2.324 -8.514 -10.575 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.483 -6.764 -9.582 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.007 -7.527 -8.684 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.492 -5.586 -8.878 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.820 -6.320 -10.466 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.634 -4.808 -9.999 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.225 -5.595 -7.119 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.407 -4.848 -8.220 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.798 -6.379 -7.399 1.00 0.00 H new ATOM 1185 N VAL A 91 -2.652 -6.159 -12.157 1.00 0.00 N ATOM 1186 CA VAL A 91 -2.534 -5.248 -13.304 1.00 0.00 C ATOM 1187 C VAL A 91 -3.907 -5.091 -13.891 1.00 0.00 C ATOM 1188 O VAL A 91 -4.228 -4.095 -14.506 1.00 0.00 O ATOM 1189 CB VAL A 91 -1.587 -5.877 -14.350 1.00 0.00 C ATOM 1190 CG1 VAL A 91 -1.050 -4.780 -15.286 1.00 0.00 C ATOM 1191 CG2 VAL A 91 -0.411 -6.545 -13.631 1.00 0.00 C ATOM 0 H VAL A 91 -2.081 -7.003 -12.203 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.134 -4.280 -13.002 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.133 -6.618 -14.933 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.382 -5.226 -16.023 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.883 -4.297 -15.796 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.504 -4.039 -14.702 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.260 -6.990 -14.366 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.131 -5.799 -13.050 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.786 -7.322 -12.965 1.00 0.00 H new ATOM 1201 N GLU A 92 -4.707 -6.097 -13.668 1.00 0.00 N ATOM 1202 CA GLU A 92 -6.085 -6.065 -14.188 1.00 0.00 C ATOM 1203 C GLU A 92 -6.899 -5.168 -13.290 1.00 0.00 C ATOM 1204 O GLU A 92 -7.659 -4.337 -13.746 1.00 0.00 O ATOM 1205 CB GLU A 92 -6.663 -7.489 -14.148 1.00 0.00 C ATOM 1206 CG GLU A 92 -8.165 -7.433 -14.432 1.00 0.00 C ATOM 1207 CD GLU A 92 -8.555 -8.618 -15.316 1.00 0.00 C ATOM 1208 OE1 GLU A 92 -8.144 -8.594 -16.464 1.00 0.00 O ATOM 1209 OE2 GLU A 92 -9.240 -9.481 -14.793 1.00 0.00 O ATOM 0 H GLU A 92 -4.457 -6.937 -13.146 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.106 -5.694 -15.213 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.165 -8.117 -14.887 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.482 -7.940 -13.172 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -8.725 -7.462 -13.497 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -8.419 -6.496 -14.927 1.00 0.00 H new ATOM 1216 N LEU A 93 -6.727 -5.362 -12.009 1.00 0.00 N ATOM 1217 CA LEU A 93 -7.476 -4.529 -11.043 1.00 0.00 C ATOM 1218 C LEU A 93 -7.023 -3.083 -11.172 1.00 0.00 C ATOM 1219 O LEU A 93 -7.760 -2.228 -11.643 1.00 0.00 O ATOM 1220 CB LEU A 93 -7.136 -5.035 -9.623 1.00 0.00 C ATOM 1221 CG LEU A 93 -7.810 -4.138 -8.574 1.00 0.00 C ATOM 1222 CD1 LEU A 93 -8.652 -5.004 -7.648 1.00 0.00 C ATOM 1223 CD2 LEU A 93 -6.738 -3.419 -7.744 1.00 0.00 C ATOM 0 H LEU A 93 -6.104 -6.057 -11.599 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.548 -4.592 -11.232 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.473 -6.065 -9.504 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.056 -5.034 -9.476 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.438 -3.402 -9.076 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.134 -4.375 -6.900 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.413 -5.525 -8.229 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.013 -5.734 -7.151 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.219 -2.783 -7.001 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.112 -4.156 -7.241 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.120 -2.806 -8.400 1.00 0.00 H new ATOM 1235 N ILE A 94 -5.823 -2.840 -10.735 1.00 0.00 N ATOM 1236 CA ILE A 94 -5.275 -1.478 -10.808 1.00 0.00 C ATOM 1237 C ILE A 94 -5.643 -0.824 -12.136 1.00 0.00 C ATOM 1238 O ILE A 94 -5.955 0.344 -12.177 1.00 0.00 O ATOM 1239 CB ILE A 94 -3.740 -1.586 -10.644 1.00 0.00 C ATOM 1240 CG1 ILE A 94 -3.255 -0.680 -9.503 1.00 0.00 C ATOM 1241 CG2 ILE A 94 -2.997 -1.192 -11.951 1.00 0.00 C ATOM 1242 CD1 ILE A 94 -3.725 0.781 -9.702 1.00 0.00 C ATOM 0 H ILE A 94 -5.199 -3.537 -10.328 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.692 -0.852 -10.019 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.514 -2.627 -10.412 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.630 -1.058 -8.552 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.167 -0.710 -9.451 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.921 -1.280 -11.799 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.304 -1.856 -12.759 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.243 -0.163 -12.214 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.364 1.395 -8.877 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.328 1.166 -10.641 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.814 0.812 -9.728 1.00 0.00 H new ATOM 1254 N ASN A 95 -5.606 -1.584 -13.204 1.00 0.00 N ATOM 1255 CA ASN A 95 -5.960 -0.987 -14.510 1.00 0.00 C ATOM 1256 C ASN A 95 -7.358 -0.405 -14.426 1.00 0.00 C ATOM 1257 O ASN A 95 -7.593 0.749 -14.775 1.00 0.00 O ATOM 1258 CB ASN A 95 -5.945 -2.084 -15.586 1.00 0.00 C ATOM 1259 CG ASN A 95 -6.693 -1.579 -16.823 1.00 0.00 C ATOM 1260 OD1 ASN A 95 -7.365 -2.327 -17.506 1.00 0.00 O ATOM 1261 ND2 ASN A 95 -6.602 -0.316 -17.145 1.00 0.00 N ATOM 0 H ASN A 95 -5.350 -2.571 -13.221 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.244 -0.206 -14.764 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.918 -2.342 -15.846 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.415 -2.991 -15.206 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.093 0.038 -17.966 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -6.040 0.316 -16.576 1.00 0.00 H new ATOM 1268 N HIS A 96 -8.266 -1.212 -13.937 1.00 0.00 N ATOM 1269 CA HIS A 96 -9.656 -0.750 -13.811 1.00 0.00 C ATOM 1270 C HIS A 96 -9.719 0.529 -12.998 1.00 0.00 C ATOM 1271 O HIS A 96 -10.688 1.254 -13.064 1.00 0.00 O ATOM 1272 CB HIS A 96 -10.457 -1.842 -13.085 1.00 0.00 C ATOM 1273 CG HIS A 96 -11.935 -1.717 -13.453 1.00 0.00 C ATOM 1274 ND1 HIS A 96 -12.475 -2.267 -14.433 1.00 0.00 N ATOM 1275 CD2 HIS A 96 -12.944 -1.012 -12.824 1.00 0.00 C ATOM 1276 CE1 HIS A 96 -13.711 -1.993 -14.498 1.00 0.00 C ATOM 1277 NE2 HIS A 96 -14.107 -1.193 -13.507 1.00 0.00 N ATOM 0 H HIS A 96 -8.092 -2.167 -13.624 1.00 0.00 H new ATOM 0 HA HIS A 96 -10.067 -0.555 -14.802 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -10.084 -2.828 -13.363 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.330 -1.745 -12.007 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -12.828 -0.413 -11.933 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -14.369 -2.365 -15.269 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -15.035 -0.817 -13.313 1.00 0.00 H new ATOM 1285 N TYR A 97 -8.675 0.782 -12.235 1.00 0.00 N ATOM 1286 CA TYR A 97 -8.658 2.021 -11.403 1.00 0.00 C ATOM 1287 C TYR A 97 -7.698 3.061 -11.946 1.00 0.00 C ATOM 1288 O TYR A 97 -7.808 4.229 -11.626 1.00 0.00 O ATOM 1289 CB TYR A 97 -8.239 1.646 -9.989 1.00 0.00 C ATOM 1290 CG TYR A 97 -9.393 0.900 -9.319 1.00 0.00 C ATOM 1291 CD1 TYR A 97 -10.628 1.514 -9.145 1.00 0.00 C ATOM 1292 CD2 TYR A 97 -9.220 -0.386 -8.871 1.00 0.00 C ATOM 1293 CE1 TYR A 97 -11.657 0.846 -8.539 1.00 0.00 C ATOM 1294 CE2 TYR A 97 -10.253 -1.055 -8.262 1.00 0.00 C ATOM 1295 CZ TYR A 97 -11.482 -0.449 -8.090 1.00 0.00 C ATOM 1296 OH TYR A 97 -12.517 -1.125 -7.480 1.00 0.00 O ATOM 0 H TYR A 97 -7.848 0.190 -12.157 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.657 2.456 -11.418 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.347 1.020 -10.012 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.986 2.540 -9.420 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -10.776 2.526 -9.491 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.265 -0.875 -8.998 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -12.612 1.334 -8.411 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.103 -2.066 -7.914 1.00 0.00 H new ATOM 0 HH TYR A 97 -12.218 -2.024 -7.229 1.00 0.00 H new ATOM 1306 N ARG A 98 -6.773 2.641 -12.750 1.00 0.00 N ATOM 1307 CA ARG A 98 -5.824 3.624 -13.298 1.00 0.00 C ATOM 1308 C ARG A 98 -6.581 4.553 -14.217 1.00 0.00 C ATOM 1309 O ARG A 98 -6.139 5.643 -14.517 1.00 0.00 O ATOM 1310 CB ARG A 98 -4.739 2.872 -14.083 1.00 0.00 C ATOM 1311 CG ARG A 98 -3.350 3.432 -13.715 1.00 0.00 C ATOM 1312 CD ARG A 98 -2.253 2.547 -14.330 1.00 0.00 C ATOM 1313 NE ARG A 98 -1.879 3.096 -15.666 1.00 0.00 N ATOM 1314 CZ ARG A 98 -0.697 3.628 -15.832 1.00 0.00 C ATOM 1315 NH1 ARG A 98 -0.427 4.762 -15.244 1.00 0.00 N ATOM 1316 NH2 ARG A 98 0.174 3.010 -16.582 1.00 0.00 N ATOM 0 H ARG A 98 -6.636 1.675 -13.046 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.356 4.202 -12.501 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.784 1.807 -13.856 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.912 2.977 -15.154 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -3.252 4.455 -14.079 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -3.237 3.467 -12.631 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.381 2.520 -13.677 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -2.609 1.522 -14.430 1.00 0.00 H new ATOM 0 HE ARG A 98 -2.540 3.056 -16.442 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.133 5.218 -14.666 1.00 0.00 H new ATOM 0 HH12 ARG A 98 0.490 5.192 -15.362 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -0.073 2.126 -17.028 1.00 0.00 H new ATOM 0 HH22 ARG A 98 1.101 3.411 -16.723 1.00 0.00 H new ATOM 1330 N ASN A 99 -7.727 4.087 -14.654 1.00 0.00 N ATOM 1331 CA ASN A 99 -8.558 4.911 -15.560 1.00 0.00 C ATOM 1332 C ASN A 99 -9.698 5.570 -14.778 1.00 0.00 C ATOM 1333 O ASN A 99 -10.179 6.622 -15.147 1.00 0.00 O ATOM 1334 CB ASN A 99 -9.158 3.999 -16.634 1.00 0.00 C ATOM 1335 CG ASN A 99 -8.529 4.332 -17.989 1.00 0.00 C ATOM 1336 OD1 ASN A 99 -8.889 5.297 -18.632 1.00 0.00 O ATOM 1337 ND2 ASN A 99 -7.588 3.559 -18.454 1.00 0.00 N ATOM 0 H ASN A 99 -8.114 3.173 -14.418 1.00 0.00 H new ATOM 0 HA ASN A 99 -7.941 5.687 -16.013 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.977 2.954 -16.383 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.239 4.133 -16.679 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -7.157 3.766 -19.355 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.283 2.747 -17.917 1.00 0.00 H new ATOM 1344 N GLU A 100 -10.103 4.928 -13.702 1.00 0.00 N ATOM 1345 CA GLU A 100 -11.208 5.490 -12.874 1.00 0.00 C ATOM 1346 C GLU A 100 -10.668 6.202 -11.635 1.00 0.00 C ATOM 1347 O GLU A 100 -10.090 7.263 -11.741 1.00 0.00 O ATOM 1348 CB GLU A 100 -12.123 4.340 -12.435 1.00 0.00 C ATOM 1349 CG GLU A 100 -12.665 3.638 -13.679 1.00 0.00 C ATOM 1350 CD GLU A 100 -13.924 2.850 -13.306 1.00 0.00 C ATOM 1351 OE1 GLU A 100 -13.746 1.736 -12.840 1.00 0.00 O ATOM 1352 OE2 GLU A 100 -14.990 3.406 -13.508 1.00 0.00 O ATOM 0 H GLU A 100 -9.715 4.046 -13.369 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.757 6.218 -13.471 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.571 3.634 -11.814 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.945 4.722 -11.829 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.896 4.370 -14.453 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.911 2.967 -14.090 1.00 0.00 H new ATOM 1359 N SER A 101 -10.855 5.604 -10.476 1.00 0.00 N ATOM 1360 CA SER A 101 -10.345 6.267 -9.236 1.00 0.00 C ATOM 1361 C SER A 101 -10.398 5.342 -8.040 1.00 0.00 C ATOM 1362 O SER A 101 -11.173 4.406 -8.011 1.00 0.00 O ATOM 1363 CB SER A 101 -11.255 7.463 -8.917 1.00 0.00 C ATOM 1364 OG SER A 101 -10.930 8.434 -9.896 1.00 0.00 O ATOM 0 H SER A 101 -11.326 4.710 -10.340 1.00 0.00 H new ATOM 0 HA SER A 101 -9.311 6.562 -9.417 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.308 7.185 -8.970 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.075 7.840 -7.910 1.00 0.00 H new ATOM 0 HG SER A 101 -10.172 8.118 -10.431 1.00 0.00 H new ATOM 1370 N LEU A 102 -9.568 5.629 -7.060 1.00 0.00 N ATOM 1371 CA LEU A 102 -9.552 4.781 -5.843 1.00 0.00 C ATOM 1372 C LEU A 102 -10.104 5.524 -4.671 1.00 0.00 C ATOM 1373 O LEU A 102 -9.424 6.334 -4.067 1.00 0.00 O ATOM 1374 CB LEU A 102 -8.088 4.397 -5.457 1.00 0.00 C ATOM 1375 CG LEU A 102 -7.510 3.203 -6.270 1.00 0.00 C ATOM 1376 CD1 LEU A 102 -6.488 2.503 -5.396 1.00 0.00 C ATOM 1377 CD2 LEU A 102 -8.562 2.176 -6.639 1.00 0.00 C ATOM 0 H LEU A 102 -8.910 6.409 -7.059 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.149 3.898 -6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.446 5.266 -5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.056 4.150 -4.396 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.088 3.604 -7.192 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.063 1.659 -5.938 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.694 3.202 -5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.971 2.144 -4.487 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.099 1.368 -7.205 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.011 1.773 -5.731 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.334 2.648 -7.247 1.00 0.00 H new ATOM 1389 N ALA A 103 -11.333 5.272 -4.371 1.00 0.00 N ATOM 1390 CA ALA A 103 -11.927 5.953 -3.238 1.00 0.00 C ATOM 1391 C ALA A 103 -11.017 5.866 -2.014 1.00 0.00 C ATOM 1392 O ALA A 103 -11.266 6.505 -1.029 1.00 0.00 O ATOM 1393 CB ALA A 103 -13.274 5.286 -2.914 1.00 0.00 C ATOM 0 H ALA A 103 -11.942 4.622 -4.868 1.00 0.00 H new ATOM 0 HA ALA A 103 -12.069 7.004 -3.490 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -13.733 5.788 -2.063 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -13.934 5.360 -3.778 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -13.111 4.236 -2.671 1.00 0.00 H new ATOM 1399 N GLN A 104 -9.971 5.073 -2.102 1.00 0.00 N ATOM 1400 CA GLN A 104 -9.060 4.950 -0.956 1.00 0.00 C ATOM 1401 C GLN A 104 -9.855 4.750 0.316 1.00 0.00 C ATOM 1402 O GLN A 104 -9.495 5.231 1.372 1.00 0.00 O ATOM 1403 CB GLN A 104 -8.238 6.246 -0.867 1.00 0.00 C ATOM 1404 CG GLN A 104 -6.759 5.891 -0.759 1.00 0.00 C ATOM 1405 CD GLN A 104 -6.250 5.405 -2.119 1.00 0.00 C ATOM 1406 OE1 GLN A 104 -6.150 6.164 -3.062 1.00 0.00 O ATOM 1407 NE2 GLN A 104 -5.917 4.151 -2.262 1.00 0.00 N ATOM 0 H GLN A 104 -9.725 4.516 -2.920 1.00 0.00 H new ATOM 0 HA GLN A 104 -8.400 4.092 -1.084 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -8.413 6.864 -1.748 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.549 6.830 -0.001 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -6.188 6.761 -0.435 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.614 5.116 -0.006 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.999 3.509 -1.474 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -5.575 3.814 -3.162 1.00 0.00 H new ATOM 1416 N TYR A 105 -10.918 4.017 0.187 1.00 0.00 N ATOM 1417 CA TYR A 105 -11.776 3.757 1.379 1.00 0.00 C ATOM 1418 C TYR A 105 -11.953 5.027 2.221 1.00 0.00 C ATOM 1419 O TYR A 105 -12.059 4.962 3.429 1.00 0.00 O ATOM 1420 CB TYR A 105 -11.087 2.693 2.245 1.00 0.00 C ATOM 1421 CG TYR A 105 -10.318 1.731 1.341 1.00 0.00 C ATOM 1422 CD1 TYR A 105 -10.927 1.174 0.237 1.00 0.00 C ATOM 1423 CD2 TYR A 105 -9.005 1.406 1.617 1.00 0.00 C ATOM 1424 CE1 TYR A 105 -10.234 0.306 -0.581 1.00 0.00 C ATOM 1425 CE2 TYR A 105 -8.312 0.538 0.800 1.00 0.00 C ATOM 1426 CZ TYR A 105 -8.922 -0.019 -0.306 1.00 0.00 C ATOM 1427 OH TYR A 105 -8.231 -0.887 -1.125 1.00 0.00 O ATOM 0 H TYR A 105 -11.233 3.587 -0.683 1.00 0.00 H new ATOM 0 HA TYR A 105 -12.757 3.423 1.040 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.407 3.167 2.953 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -11.828 2.148 2.830 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -11.954 1.419 0.011 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -8.517 1.835 2.480 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -10.723 -0.123 -1.444 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -7.285 0.292 1.027 1.00 0.00 H new ATOM 0 HH TYR A 105 -7.505 -0.405 -1.574 1.00 0.00 H new ATOM 1437 N ASN A 106 -11.982 6.157 1.564 1.00 0.00 N ATOM 1438 CA ASN A 106 -12.150 7.442 2.305 1.00 0.00 C ATOM 1439 C ASN A 106 -13.647 7.798 2.439 1.00 0.00 C ATOM 1440 O ASN A 106 -14.480 7.209 1.778 1.00 0.00 O ATOM 1441 CB ASN A 106 -11.423 8.543 1.499 1.00 0.00 C ATOM 1442 CG ASN A 106 -10.190 9.018 2.276 1.00 0.00 C ATOM 1443 OD1 ASN A 106 -9.962 10.202 2.436 1.00 0.00 O ATOM 1444 ND2 ASN A 106 -9.372 8.130 2.778 1.00 0.00 N ATOM 0 H ASN A 106 -11.897 6.246 0.551 1.00 0.00 H new ATOM 0 HA ASN A 106 -11.733 7.354 3.308 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -11.125 8.157 0.524 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.097 9.381 1.318 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -8.549 8.432 3.300 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -9.557 7.135 2.648 1.00 0.00 H new ATOM 1451 N PRO A 107 -13.963 8.756 3.321 1.00 0.00 N ATOM 1452 CA PRO A 107 -15.351 9.183 3.537 1.00 0.00 C ATOM 1453 C PRO A 107 -16.082 9.536 2.236 1.00 0.00 C ATOM 1454 O PRO A 107 -15.746 9.059 1.172 1.00 0.00 O ATOM 1455 CB PRO A 107 -15.241 10.433 4.440 1.00 0.00 C ATOM 1456 CG PRO A 107 -13.761 10.538 4.909 1.00 0.00 C ATOM 1457 CD PRO A 107 -12.969 9.449 4.167 1.00 0.00 C ATOM 0 HA PRO A 107 -15.934 8.376 3.981 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -15.535 11.329 3.893 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -15.910 10.348 5.296 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -13.357 11.526 4.688 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -13.689 10.398 5.988 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -12.173 9.884 3.563 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -12.498 8.759 4.867 1.00 0.00 H new ATOM 1465 N LYS A 108 -17.072 10.374 2.360 1.00 0.00 N ATOM 1466 CA LYS A 108 -17.863 10.793 1.172 1.00 0.00 C ATOM 1467 C LYS A 108 -16.995 11.335 0.014 1.00 0.00 C ATOM 1468 O LYS A 108 -17.529 11.839 -0.955 1.00 0.00 O ATOM 1469 CB LYS A 108 -18.833 11.895 1.628 1.00 0.00 C ATOM 1470 CG LYS A 108 -19.414 11.511 2.998 1.00 0.00 C ATOM 1471 CD LYS A 108 -20.872 11.973 3.077 1.00 0.00 C ATOM 1472 CE LYS A 108 -21.409 11.706 4.485 1.00 0.00 C ATOM 1473 NZ LYS A 108 -20.888 10.412 5.007 1.00 0.00 N ATOM 0 H LYS A 108 -17.369 10.790 3.243 1.00 0.00 H new ATOM 0 HA LYS A 108 -18.380 9.915 0.785 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -18.314 12.851 1.693 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -19.634 12.017 0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -19.354 10.432 3.142 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -18.831 11.972 3.795 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -20.943 13.035 2.843 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -21.474 11.444 2.339 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -21.117 12.517 5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -22.499 11.685 4.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -21.487 10.088 5.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -20.899 9.702 4.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -19.913 10.541 5.346 1.00 0.00 H new ATOM 1487 N LEU A 109 -15.684 11.230 0.131 1.00 0.00 N ATOM 1488 CA LEU A 109 -14.798 11.741 -0.969 1.00 0.00 C ATOM 1489 C LEU A 109 -13.882 10.635 -1.481 1.00 0.00 C ATOM 1490 O LEU A 109 -13.492 9.760 -0.733 1.00 0.00 O ATOM 1491 CB LEU A 109 -13.936 12.894 -0.418 1.00 0.00 C ATOM 1492 CG LEU A 109 -12.948 12.357 0.622 1.00 0.00 C ATOM 1493 CD1 LEU A 109 -11.544 12.295 0.004 1.00 0.00 C ATOM 1494 CD2 LEU A 109 -12.927 13.307 1.819 1.00 0.00 C ATOM 0 H LEU A 109 -15.199 10.819 0.928 1.00 0.00 H new ATOM 0 HA LEU A 109 -15.421 12.088 -1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -13.394 13.375 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -14.575 13.654 0.033 1.00 0.00 H new ATOM 0 HG LEU A 109 -13.251 11.360 0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.838 11.913 0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -11.557 11.634 -0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -11.239 13.294 -0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -12.227 12.935 2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -12.615 14.299 1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -13.925 13.366 2.254 1.00 0.00 H new ATOM 1506 N ASP A 110 -13.560 10.693 -2.761 1.00 0.00 N ATOM 1507 CA ASP A 110 -12.666 9.650 -3.348 1.00 0.00 C ATOM 1508 C ASP A 110 -11.402 10.278 -3.923 1.00 0.00 C ATOM 1509 O ASP A 110 -11.327 11.477 -4.100 1.00 0.00 O ATOM 1510 CB ASP A 110 -13.445 8.918 -4.494 1.00 0.00 C ATOM 1511 CG ASP A 110 -12.475 8.471 -5.611 1.00 0.00 C ATOM 1512 OD1 ASP A 110 -11.947 9.358 -6.263 1.00 0.00 O ATOM 1513 OD2 ASP A 110 -12.336 7.269 -5.762 1.00 0.00 O ATOM 0 H ASP A 110 -13.877 11.412 -3.411 1.00 0.00 H new ATOM 0 HA ASP A 110 -12.375 8.948 -2.567 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -13.967 8.051 -4.090 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -14.203 9.583 -4.908 1.00 0.00 H new ATOM 1518 N VAL A 111 -10.423 9.443 -4.197 1.00 0.00 N ATOM 1519 CA VAL A 111 -9.149 9.958 -4.763 1.00 0.00 C ATOM 1520 C VAL A 111 -8.709 9.089 -5.932 1.00 0.00 C ATOM 1521 O VAL A 111 -9.212 7.999 -6.118 1.00 0.00 O ATOM 1522 CB VAL A 111 -8.068 9.917 -3.669 1.00 0.00 C ATOM 1523 CG1 VAL A 111 -7.007 10.980 -3.975 1.00 0.00 C ATOM 1524 CG2 VAL A 111 -8.708 10.226 -2.316 1.00 0.00 C ATOM 0 H VAL A 111 -10.459 8.434 -4.051 1.00 0.00 H new ATOM 0 HA VAL A 111 -9.295 10.980 -5.113 1.00 0.00 H new ATOM 0 HB VAL A 111 -7.608 8.929 -3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -6.237 10.958 -3.204 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -6.555 10.774 -4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -7.473 11.965 -3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -7.945 10.198 -1.538 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -9.160 11.217 -2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -9.476 9.483 -2.099 1.00 0.00 H new ATOM 1534 N LYS A 112 -7.779 9.589 -6.698 1.00 0.00 N ATOM 1535 CA LYS A 112 -7.282 8.816 -7.871 1.00 0.00 C ATOM 1536 C LYS A 112 -5.758 8.793 -7.885 1.00 0.00 C ATOM 1537 O LYS A 112 -5.129 9.767 -7.524 1.00 0.00 O ATOM 1538 CB LYS A 112 -7.789 9.529 -9.132 1.00 0.00 C ATOM 1539 CG LYS A 112 -7.638 11.040 -8.931 1.00 0.00 C ATOM 1540 CD LYS A 112 -7.405 11.719 -10.281 1.00 0.00 C ATOM 1541 CE LYS A 112 -7.747 13.207 -10.152 1.00 0.00 C ATOM 1542 NZ LYS A 112 -7.282 13.961 -11.350 1.00 0.00 N ATOM 0 H LYS A 112 -7.341 10.500 -6.562 1.00 0.00 H new ATOM 0 HA LYS A 112 -7.639 7.787 -7.825 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.222 9.205 -10.004 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -8.832 9.274 -9.317 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -8.533 11.445 -8.459 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -6.803 11.246 -8.261 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.367 11.596 -10.591 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -8.024 11.255 -11.049 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.824 13.329 -10.035 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.281 13.616 -9.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.553 14.961 -11.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.247 13.889 -11.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -7.720 13.561 -12.204 1.00 0.00 H new ATOM 1556 N LEU A 113 -5.185 7.674 -8.309 1.00 0.00 N ATOM 1557 CA LEU A 113 -3.688 7.583 -8.347 1.00 0.00 C ATOM 1558 C LEU A 113 -3.155 7.493 -9.791 1.00 0.00 C ATOM 1559 O LEU A 113 -2.659 6.483 -10.220 1.00 0.00 O ATOM 1560 CB LEU A 113 -3.243 6.343 -7.482 1.00 0.00 C ATOM 1561 CG LEU A 113 -3.531 4.971 -8.170 1.00 0.00 C ATOM 1562 CD1 LEU A 113 -3.516 3.878 -7.100 1.00 0.00 C ATOM 1563 CD2 LEU A 113 -4.906 4.963 -8.838 1.00 0.00 C ATOM 0 H LEU A 113 -5.684 6.841 -8.622 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.259 8.493 -7.927 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.176 6.419 -7.273 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.759 6.375 -6.522 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.769 4.799 -8.930 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.716 2.912 -7.564 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.539 3.854 -6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.283 4.088 -6.355 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.077 3.994 -9.308 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.676 5.143 -8.088 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.947 5.746 -9.595 1.00 0.00 H new ATOM 1575 N LEU A 114 -3.268 8.588 -10.509 1.00 0.00 N ATOM 1576 CA LEU A 114 -2.780 8.597 -11.921 1.00 0.00 C ATOM 1577 C LEU A 114 -1.408 9.237 -12.025 1.00 0.00 C ATOM 1578 O LEU A 114 -1.101 9.909 -12.990 1.00 0.00 O ATOM 1579 CB LEU A 114 -3.773 9.401 -12.768 1.00 0.00 C ATOM 1580 CG LEU A 114 -5.191 8.992 -12.385 1.00 0.00 C ATOM 1581 CD1 LEU A 114 -6.183 9.636 -13.346 1.00 0.00 C ATOM 1582 CD2 LEU A 114 -5.320 7.472 -12.485 1.00 0.00 C ATOM 0 H LEU A 114 -3.673 9.465 -10.180 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.703 7.569 -12.275 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.631 10.469 -12.603 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.600 9.216 -13.828 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.400 9.318 -11.366 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.197 9.344 -13.072 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.091 10.721 -13.291 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.972 9.305 -14.363 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.332 7.174 -12.212 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.112 7.156 -13.507 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.608 7.001 -11.807 1.00 0.00 H new ATOM 1594 N TYR A 115 -0.612 9.017 -11.027 1.00 0.00 N ATOM 1595 CA TYR A 115 0.751 9.594 -11.028 1.00 0.00 C ATOM 1596 C TYR A 115 1.738 8.608 -10.391 1.00 0.00 C ATOM 1597 O TYR A 115 2.221 8.817 -9.297 1.00 0.00 O ATOM 1598 CB TYR A 115 0.714 10.892 -10.205 1.00 0.00 C ATOM 1599 CG TYR A 115 -0.634 11.576 -10.430 1.00 0.00 C ATOM 1600 CD1 TYR A 115 -1.745 11.185 -9.711 1.00 0.00 C ATOM 1601 CD2 TYR A 115 -0.759 12.588 -11.358 1.00 0.00 C ATOM 1602 CE1 TYR A 115 -2.964 11.798 -9.917 1.00 0.00 C ATOM 1603 CE2 TYR A 115 -1.978 13.201 -11.565 1.00 0.00 C ATOM 1604 CZ TYR A 115 -3.090 12.811 -10.845 1.00 0.00 C ATOM 1605 OH TYR A 115 -4.307 13.429 -11.046 1.00 0.00 O ATOM 0 H TYR A 115 -0.847 8.459 -10.206 1.00 0.00 H new ATOM 0 HA TYR A 115 1.074 9.796 -12.049 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.854 10.673 -9.147 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.528 11.553 -10.504 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -1.660 10.393 -8.981 1.00 0.00 H new ATOM 0 HD2 TYR A 115 0.103 12.903 -11.927 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -3.826 11.482 -9.348 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -2.063 13.992 -12.296 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.213 14.120 -11.735 1.00 0.00 H new ATOM 1615 N PRO A 116 2.015 7.529 -11.109 1.00 0.00 N ATOM 1616 CA PRO A 116 2.935 6.500 -10.634 1.00 0.00 C ATOM 1617 C PRO A 116 4.386 6.892 -10.877 1.00 0.00 C ATOM 1618 O PRO A 116 4.677 7.658 -11.775 1.00 0.00 O ATOM 1619 CB PRO A 116 2.612 5.278 -11.507 1.00 0.00 C ATOM 1620 CG PRO A 116 1.790 5.794 -12.730 1.00 0.00 C ATOM 1621 CD PRO A 116 1.427 7.260 -12.436 1.00 0.00 C ATOM 0 HA PRO A 116 2.821 6.330 -9.563 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.528 4.787 -11.837 1.00 0.00 H new ATOM 0 HB3 PRO A 116 2.041 4.541 -10.942 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.373 5.717 -13.648 1.00 0.00 H new ATOM 0 HG3 PRO A 116 0.891 5.194 -12.872 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.835 7.929 -13.194 1.00 0.00 H new ATOM 0 HD3 PRO A 116 0.347 7.407 -12.429 1.00 0.00 H new ATOM 1629 N VAL A 117 5.269 6.353 -10.072 1.00 0.00 N ATOM 1630 CA VAL A 117 6.710 6.675 -10.237 1.00 0.00 C ATOM 1631 C VAL A 117 7.470 5.417 -10.608 1.00 0.00 C ATOM 1632 O VAL A 117 7.338 4.407 -9.961 1.00 0.00 O ATOM 1633 CB VAL A 117 7.263 7.203 -8.910 1.00 0.00 C ATOM 1634 CG1 VAL A 117 7.107 8.727 -8.872 1.00 0.00 C ATOM 1635 CG2 VAL A 117 6.488 6.588 -7.747 1.00 0.00 C ATOM 0 H VAL A 117 5.050 5.708 -9.313 1.00 0.00 H new ATOM 0 HA VAL A 117 6.825 7.425 -11.020 1.00 0.00 H new ATOM 0 HB VAL A 117 8.316 6.935 -8.823 1.00 0.00 H new ATOM 0 HG11 VAL A 117 7.499 9.109 -7.930 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.659 9.170 -9.701 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.052 8.987 -8.958 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.885 6.966 -6.805 1.00 0.00 H new ATOM 0 HG22 VAL A 117 5.434 6.855 -7.830 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.591 5.503 -7.774 1.00 0.00 H new ATOM 1645 N SER A 118 8.234 5.487 -11.653 1.00 0.00 N ATOM 1646 CA SER A 118 8.989 4.308 -12.059 1.00 0.00 C ATOM 1647 C SER A 118 10.262 4.683 -12.799 1.00 0.00 C ATOM 1648 O SER A 118 10.568 5.845 -12.976 1.00 0.00 O ATOM 1649 CB SER A 118 8.105 3.528 -13.001 1.00 0.00 C ATOM 1650 OG SER A 118 7.174 4.486 -13.479 1.00 0.00 O ATOM 0 H SER A 118 8.361 6.314 -12.236 1.00 0.00 H new ATOM 0 HA SER A 118 9.271 3.736 -11.175 1.00 0.00 H new ATOM 0 HB2 SER A 118 8.681 3.091 -13.817 1.00 0.00 H new ATOM 0 HB3 SER A 118 7.604 2.707 -12.489 1.00 0.00 H new ATOM 0 HG SER A 118 6.556 4.057 -14.107 1.00 0.00 H new ATOM 1656 N LYS A 119 10.978 3.674 -13.220 1.00 0.00 N ATOM 1657 CA LYS A 119 12.239 3.919 -13.955 1.00 0.00 C ATOM 1658 C LYS A 119 12.005 3.745 -15.448 1.00 0.00 C ATOM 1659 O LYS A 119 12.871 4.017 -16.255 1.00 0.00 O ATOM 1660 CB LYS A 119 13.281 2.883 -13.494 1.00 0.00 C ATOM 1661 CG LYS A 119 13.306 2.830 -11.963 1.00 0.00 C ATOM 1662 CD LYS A 119 13.691 4.206 -11.417 1.00 0.00 C ATOM 1663 CE LYS A 119 14.307 4.036 -10.027 1.00 0.00 C ATOM 1664 NZ LYS A 119 14.647 5.362 -9.439 1.00 0.00 N ATOM 0 H LYS A 119 10.738 2.692 -13.083 1.00 0.00 H new ATOM 0 HA LYS A 119 12.589 4.932 -13.758 1.00 0.00 H new ATOM 0 HB2 LYS A 119 13.037 1.901 -13.899 1.00 0.00 H new ATOM 0 HB3 LYS A 119 14.267 3.149 -13.875 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.328 2.535 -11.582 1.00 0.00 H new ATOM 0 HG3 LYS A 119 14.020 2.079 -11.625 1.00 0.00 H new ATOM 0 HD2 LYS A 119 14.401 4.691 -12.087 1.00 0.00 H new ATOM 0 HD3 LYS A 119 12.812 4.849 -11.363 1.00 0.00 H new ATOM 0 HE2 LYS A 119 13.608 3.511 -9.375 1.00 0.00 H new ATOM 0 HE3 LYS A 119 15.204 3.421 -10.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 15.655 5.381 -9.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 14.452 6.110 -10.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 14.072 5.522 -8.587 1.00 0.00 H new ATOM 1678 N TYR A 120 10.826 3.293 -15.783 1.00 0.00 N ATOM 1679 CA TYR A 120 10.493 3.087 -17.207 1.00 0.00 C ATOM 1680 C TYR A 120 10.832 4.323 -18.032 1.00 0.00 C ATOM 1681 O TYR A 120 10.934 4.159 -19.237 1.00 0.00 O ATOM 1682 CB TYR A 120 8.989 2.824 -17.304 1.00 0.00 C ATOM 1683 CG TYR A 120 8.750 1.383 -17.764 1.00 0.00 C ATOM 1684 CD1 TYR A 120 9.003 0.322 -16.916 1.00 0.00 C ATOM 1685 CD2 TYR A 120 8.276 1.125 -19.034 1.00 0.00 C ATOM 1686 CE1 TYR A 120 8.785 -0.977 -17.334 1.00 0.00 C ATOM 1687 CE2 TYR A 120 8.058 -0.173 -19.451 1.00 0.00 C ATOM 1688 CZ TYR A 120 8.312 -1.233 -18.605 1.00 0.00 C ATOM 1689 OH TYR A 120 8.094 -2.530 -19.022 1.00 0.00 O ATOM 1690 OXT TYR A 120 10.969 5.366 -17.415 1.00 0.00 O ATOM 0 H TYR A 120 10.083 3.059 -15.125 1.00 0.00 H new ATOM 0 HA TYR A 120 11.070 2.248 -17.595 1.00 0.00 H new ATOM 0 HB2 TYR A 120 8.517 2.991 -16.336 1.00 0.00 H new ATOM 0 HB3 TYR A 120 8.532 3.521 -18.006 1.00 0.00 H new ATOM 0 HD1 TYR A 120 9.374 0.509 -15.919 1.00 0.00 H new ATOM 0 HD2 TYR A 120 8.074 1.945 -19.707 1.00 0.00 H new ATOM 0 HE1 TYR A 120 8.986 -1.798 -16.661 1.00 0.00 H new ATOM 0 HE2 TYR A 120 7.686 -0.360 -20.447 1.00 0.00 H new ATOM 0 HH TYR A 120 7.760 -2.526 -19.943 1.00 0.00 H new TER 1700 TYR A 120