USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 975 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 50 HIS : no HE2:sc= 0.504 K(o=-0.4,f=-6.6!) USER MOD Set 1.2: A 54 ASN : amide:sc= -0.907 K(o=-0.4,f=-11!) USER MOD Set 2.1: A 8 HIS : no HD1:sc= -0.988 K(o=-0.23,f=-3.8!) USER MOD Set 2.2: A 14 TYR OH : rot -1:sc= 0.503 USER MOD Set 2.3: A 62 HIS : no HE2:sc= 0.254 K(o=-0.23,f=-2.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 13 SER OG : rot -2:sc= 0.217 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -158:sc= -0.112 (180deg=-0.668) USER MOD Single : A 24 THR OG1 : rot 150:sc= -0.0107 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0045 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -2.27! C(o=-2.3!,f=-9.6!) USER MOD Single : A 41 SER OG : rot 34:sc= 1.23 USER MOD Single : A 46 CYS SG : rot -40:sc= -5.75! USER MOD Single : A 47 LYS NZ :NH3+ -150:sc= 1.28 (180deg=0.866) USER MOD Single : A 49 MET CE :methyl -159:sc= -0.182 (180deg=-0.768) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.12) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 CYS SG : rot 180:sc=-0.00332 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -132:sc= 0.795 (180deg=-0.779) USER MOD Single : A 87 ASN :FLIP amide:sc= 0 F(o=-2.6!,f=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -2.47! C(o=-2.5!,f=-3.4!) USER MOD Single : A 92 HIS : no HD1:sc= -0.264 X(o=-0.26,f=-0.19) USER MOD Single : A 94 LYS NZ :NH3+ -147:sc= 2.35 (180deg=2.03) USER MOD Single : A 97 ASN : amide:sc=-0.00393 X(o=-0.0039,f=-0.0039) USER MOD Single : A 99 LYS NZ :NH3+ 160:sc= 1.69 (180deg=1.02) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN :FLIP amide:sc= -0.0124 F(o=-0.65,f=-0.012) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -173:sc=-0.00274 (180deg=-0.0853) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.875 26.742 10.750 1.00 0.00 N ATOM 2 CA GLY A 1 3.014 26.395 9.866 1.00 0.00 C ATOM 3 C GLY A 1 4.137 25.715 10.623 1.00 0.00 C ATOM 4 O GLY A 1 5.220 26.285 10.788 1.00 0.00 O ATOM 0 H1 GLY A 1 1.130 27.205 10.191 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.495 25.876 11.183 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.200 27.389 11.497 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.666 25.739 9.068 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.393 27.300 9.392 1.00 0.00 H new ATOM 10 N SER A 2 3.878 24.496 11.089 1.00 0.00 N ATOM 11 CA SER A 2 4.862 23.729 11.849 1.00 0.00 C ATOM 12 C SER A 2 5.569 22.722 10.939 1.00 0.00 C ATOM 13 O SER A 2 6.705 22.314 11.198 1.00 0.00 O ATOM 14 CB SER A 2 4.168 23.004 13.014 1.00 0.00 C ATOM 15 OG SER A 2 5.109 22.406 13.891 1.00 0.00 O ATOM 0 H SER A 2 2.989 24.015 10.952 1.00 0.00 H new ATOM 0 HA SER A 2 5.610 24.411 12.252 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.552 23.712 13.568 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.499 22.239 12.620 1.00 0.00 H new ATOM 0 HG SER A 2 4.635 21.955 14.621 1.00 0.00 H new ATOM 21 N MET A 3 4.887 22.335 9.863 1.00 0.00 N ATOM 22 CA MET A 3 5.413 21.359 8.910 1.00 0.00 C ATOM 23 C MET A 3 5.681 22.038 7.570 1.00 0.00 C ATOM 24 O MET A 3 4.748 22.493 6.905 1.00 0.00 O ATOM 25 CB MET A 3 4.411 20.209 8.720 1.00 0.00 C ATOM 26 CG MET A 3 4.018 19.510 10.015 1.00 0.00 C ATOM 27 SD MET A 3 5.428 18.773 10.865 1.00 0.00 S ATOM 28 CE MET A 3 4.623 18.054 12.297 1.00 0.00 C ATOM 0 H MET A 3 3.959 22.687 9.628 1.00 0.00 H new ATOM 0 HA MET A 3 6.346 20.952 9.300 1.00 0.00 H new ATOM 0 HB2 MET A 3 3.512 20.599 8.242 1.00 0.00 H new ATOM 0 HB3 MET A 3 4.841 19.475 8.039 1.00 0.00 H new ATOM 0 HG2 MET A 3 3.534 20.227 10.678 1.00 0.00 H new ATOM 0 HG3 MET A 3 3.285 18.734 9.796 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.366 17.560 12.923 1.00 0.00 H new ATOM 0 HE2 MET A 3 4.131 18.840 12.870 1.00 0.00 H new ATOM 0 HE3 MET A 3 3.882 17.325 11.970 1.00 0.00 H new ATOM 38 N THR A 4 6.948 22.117 7.182 1.00 0.00 N ATOM 39 CA THR A 4 7.325 22.744 5.920 1.00 0.00 C ATOM 40 C THR A 4 7.407 21.697 4.809 1.00 0.00 C ATOM 41 O THR A 4 7.778 20.545 5.054 1.00 0.00 O ATOM 42 CB THR A 4 8.678 23.493 6.043 1.00 0.00 C ATOM 43 OG1 THR A 4 8.940 24.248 4.850 1.00 0.00 O ATOM 44 CG2 THR A 4 9.833 22.529 6.302 1.00 0.00 C ATOM 0 H THR A 4 7.733 21.755 7.723 1.00 0.00 H new ATOM 0 HA THR A 4 6.555 23.473 5.669 1.00 0.00 H new ATOM 0 HB THR A 4 8.601 24.170 6.894 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.796 24.717 4.941 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.764 23.090 6.382 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.654 21.988 7.231 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.907 21.820 5.478 1.00 0.00 H new ATOM 52 N GLU A 5 7.037 22.093 3.595 1.00 0.00 N ATOM 53 CA GLU A 5 7.098 21.202 2.443 1.00 0.00 C ATOM 54 C GLU A 5 8.548 20.926 2.052 1.00 0.00 C ATOM 55 O GLU A 5 9.200 21.755 1.411 1.00 0.00 O ATOM 56 CB GLU A 5 6.329 21.803 1.260 1.00 0.00 C ATOM 57 CG GLU A 5 4.815 21.810 1.451 1.00 0.00 C ATOM 58 CD GLU A 5 4.217 20.409 1.453 1.00 0.00 C ATOM 59 OE1 GLU A 5 4.197 19.761 2.518 1.00 0.00 O ATOM 60 OE2 GLU A 5 3.749 19.956 0.386 1.00 0.00 O ATOM 0 H GLU A 5 6.691 23.029 3.384 1.00 0.00 H new ATOM 0 HA GLU A 5 6.631 20.256 2.716 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.670 22.825 1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.570 21.240 0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.574 22.305 2.392 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.355 22.396 0.655 1.00 0.00 H new ATOM 67 N GLU A 6 9.059 19.777 2.481 1.00 0.00 N ATOM 68 CA GLU A 6 10.397 19.338 2.104 1.00 0.00 C ATOM 69 C GLU A 6 10.270 18.103 1.210 1.00 0.00 C ATOM 70 O GLU A 6 10.533 18.174 0.006 1.00 0.00 O ATOM 71 CB GLU A 6 11.235 19.059 3.364 1.00 0.00 C ATOM 72 CG GLU A 6 12.744 19.140 3.140 1.00 0.00 C ATOM 73 CD GLU A 6 13.528 19.214 4.446 1.00 0.00 C ATOM 74 OE1 GLU A 6 13.175 20.042 5.313 1.00 0.00 O ATOM 75 OE2 GLU A 6 14.512 18.467 4.607 1.00 0.00 O ATOM 0 H GLU A 6 8.563 19.130 3.094 1.00 0.00 H new ATOM 0 HA GLU A 6 10.914 20.118 1.545 1.00 0.00 H new ATOM 0 HB2 GLU A 6 10.955 19.772 4.139 1.00 0.00 H new ATOM 0 HB3 GLU A 6 10.987 18.066 3.740 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.071 18.268 2.573 1.00 0.00 H new ATOM 0 HG3 GLU A 6 12.971 20.017 2.534 1.00 0.00 H new ATOM 82 N THR A 7 9.841 16.984 1.808 1.00 0.00 N ATOM 83 CA THR A 7 9.422 15.783 1.069 1.00 0.00 C ATOM 84 C THR A 7 10.419 15.386 -0.038 1.00 0.00 C ATOM 85 O THR A 7 11.619 15.657 0.076 1.00 0.00 O ATOM 86 CB THR A 7 8.000 15.989 0.481 1.00 0.00 C ATOM 87 OG1 THR A 7 7.983 17.099 -0.428 1.00 0.00 O ATOM 88 CG2 THR A 7 6.982 16.235 1.591 1.00 0.00 C ATOM 0 H THR A 7 9.774 16.885 2.821 1.00 0.00 H new ATOM 0 HA THR A 7 9.403 14.956 1.779 1.00 0.00 H new ATOM 0 HB THR A 7 7.731 15.079 -0.055 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.079 17.212 -0.789 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.994 16.376 1.154 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.962 15.377 2.263 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.262 17.128 2.150 1.00 0.00 H new ATOM 96 N HIS A 8 9.933 14.728 -1.101 1.00 0.00 N ATOM 97 CA HIS A 8 10.793 14.306 -2.209 1.00 0.00 C ATOM 98 C HIS A 8 10.184 14.732 -3.551 1.00 0.00 C ATOM 99 O HIS A 8 9.006 15.081 -3.605 1.00 0.00 O ATOM 100 CB HIS A 8 11.031 12.784 -2.142 1.00 0.00 C ATOM 101 CG HIS A 8 12.116 12.398 -1.178 1.00 0.00 C ATOM 102 ND1 HIS A 8 11.924 11.625 -0.055 1.00 0.00 N ATOM 103 CD2 HIS A 8 13.439 12.698 -1.201 1.00 0.00 C ATOM 104 CE1 HIS A 8 13.105 11.484 0.556 1.00 0.00 C ATOM 105 NE2 HIS A 8 14.061 12.116 -0.099 1.00 0.00 N ATOM 0 H HIS A 8 8.950 14.478 -1.214 1.00 0.00 H new ATOM 0 HA HIS A 8 11.762 14.798 -2.122 1.00 0.00 H new ATOM 0 HB2 HIS A 8 10.104 12.290 -1.852 1.00 0.00 H new ATOM 0 HB3 HIS A 8 11.290 12.419 -3.136 1.00 0.00 H new ATOM 0 HD2 HIS A 8 13.932 13.294 -1.955 1.00 0.00 H new ATOM 0 HE1 HIS A 8 13.257 10.925 1.468 1.00 0.00 H new ATOM 0 HE2 HIS A 8 15.049 12.167 0.150 1.00 0.00 H new ATOM 113 N PRO A 9 10.980 14.713 -4.649 1.00 0.00 N ATOM 114 CA PRO A 9 10.574 15.256 -5.962 1.00 0.00 C ATOM 115 C PRO A 9 9.132 14.933 -6.366 1.00 0.00 C ATOM 116 O PRO A 9 8.351 15.835 -6.674 1.00 0.00 O ATOM 117 CB PRO A 9 11.563 14.589 -6.922 1.00 0.00 C ATOM 118 CG PRO A 9 12.808 14.450 -6.117 1.00 0.00 C ATOM 119 CD PRO A 9 12.355 14.161 -4.706 1.00 0.00 C ATOM 0 HA PRO A 9 10.596 16.346 -5.960 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.197 13.620 -7.262 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.728 15.197 -7.811 1.00 0.00 H new ATOM 0 HG2 PRO A 9 13.433 13.643 -6.500 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.404 15.362 -6.157 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.365 13.092 -4.495 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.006 14.636 -3.973 1.00 0.00 H new ATOM 127 N ASP A 10 8.777 13.651 -6.351 1.00 0.00 N ATOM 128 CA ASP A 10 7.465 13.208 -6.831 1.00 0.00 C ATOM 129 C ASP A 10 6.425 13.173 -5.712 1.00 0.00 C ATOM 130 O ASP A 10 5.410 12.479 -5.828 1.00 0.00 O ATOM 131 CB ASP A 10 7.571 11.826 -7.500 1.00 0.00 C ATOM 132 CG ASP A 10 8.176 11.901 -8.894 1.00 0.00 C ATOM 133 OD1 ASP A 10 7.478 12.373 -9.821 1.00 0.00 O ATOM 134 OD2 ASP A 10 9.341 11.487 -9.075 1.00 0.00 O ATOM 0 H ASP A 10 9.377 12.899 -6.012 1.00 0.00 H new ATOM 0 HA ASP A 10 7.131 13.938 -7.568 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.180 11.170 -6.878 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.579 11.378 -7.561 1.00 0.00 H new ATOM 139 N ASP A 11 6.655 13.941 -4.647 1.00 0.00 N ATOM 140 CA ASP A 11 5.699 14.014 -3.538 1.00 0.00 C ATOM 141 C ASP A 11 4.348 14.531 -4.032 1.00 0.00 C ATOM 142 O ASP A 11 3.289 14.132 -3.540 1.00 0.00 O ATOM 143 CB ASP A 11 6.208 14.923 -2.417 1.00 0.00 C ATOM 144 CG ASP A 11 5.200 15.033 -1.277 1.00 0.00 C ATOM 145 OD1 ASP A 11 4.946 14.010 -0.606 1.00 0.00 O ATOM 146 OD2 ASP A 11 4.654 16.140 -1.057 1.00 0.00 O ATOM 0 H ASP A 11 7.488 14.518 -4.527 1.00 0.00 H new ATOM 0 HA ASP A 11 5.584 13.005 -3.141 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.151 14.534 -2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.413 15.915 -2.818 1.00 0.00 H new ATOM 151 N ASP A 12 4.401 15.413 -5.024 1.00 0.00 N ATOM 152 CA ASP A 12 3.205 16.055 -5.572 1.00 0.00 C ATOM 153 C ASP A 12 2.261 15.026 -6.191 1.00 0.00 C ATOM 154 O ASP A 12 1.042 15.191 -6.167 1.00 0.00 O ATOM 155 CB ASP A 12 3.594 17.093 -6.636 1.00 0.00 C ATOM 156 CG ASP A 12 4.116 16.450 -7.917 1.00 0.00 C ATOM 157 OD1 ASP A 12 5.300 16.053 -7.952 1.00 0.00 O ATOM 158 OD2 ASP A 12 3.340 16.330 -8.891 1.00 0.00 O ATOM 0 H ASP A 12 5.270 15.704 -5.472 1.00 0.00 H new ATOM 0 HA ASP A 12 2.691 16.552 -4.749 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.727 17.710 -6.871 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.357 17.757 -6.229 1.00 0.00 H new ATOM 163 N SER A 13 2.835 13.957 -6.731 1.00 0.00 N ATOM 164 CA SER A 13 2.070 12.964 -7.481 1.00 0.00 C ATOM 165 C SER A 13 1.484 11.882 -6.564 1.00 0.00 C ATOM 166 O SER A 13 1.027 10.836 -7.034 1.00 0.00 O ATOM 167 CB SER A 13 2.970 12.343 -8.553 1.00 0.00 C ATOM 168 OG SER A 13 3.546 13.349 -9.373 1.00 0.00 O ATOM 0 H SER A 13 3.832 13.754 -6.664 1.00 0.00 H new ATOM 0 HA SER A 13 1.225 13.463 -7.957 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.758 11.759 -8.078 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.389 11.655 -9.168 1.00 0.00 H new ATOM 0 HG SER A 13 3.218 14.228 -9.091 1.00 0.00 H new ATOM 174 N TYR A 14 1.487 12.141 -5.255 1.00 0.00 N ATOM 175 CA TYR A 14 0.871 11.233 -4.289 1.00 0.00 C ATOM 176 C TYR A 14 -0.647 11.182 -4.478 1.00 0.00 C ATOM 177 O TYR A 14 -1.391 11.922 -3.828 1.00 0.00 O ATOM 178 CB TYR A 14 1.204 11.654 -2.847 1.00 0.00 C ATOM 179 CG TYR A 14 2.566 11.204 -2.345 1.00 0.00 C ATOM 180 CD1 TYR A 14 3.633 10.996 -3.216 1.00 0.00 C ATOM 181 CD2 TYR A 14 2.780 10.994 -0.986 1.00 0.00 C ATOM 182 CE1 TYR A 14 4.870 10.591 -2.746 1.00 0.00 C ATOM 183 CE2 TYR A 14 4.014 10.591 -0.511 1.00 0.00 C ATOM 184 CZ TYR A 14 5.055 10.391 -1.395 1.00 0.00 C ATOM 185 OH TYR A 14 6.288 9.993 -0.923 1.00 0.00 O ATOM 0 H TYR A 14 1.909 12.972 -4.841 1.00 0.00 H new ATOM 0 HA TYR A 14 1.280 10.238 -4.466 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.150 12.741 -2.780 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.438 11.255 -2.182 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.493 11.153 -4.275 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.968 11.149 -0.291 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.687 10.432 -3.435 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.163 10.433 0.547 1.00 0.00 H new ATOM 0 HH TYR A 14 6.908 9.888 -1.675 1.00 0.00 H new ATOM 195 N ILE A 15 -1.097 10.331 -5.391 1.00 0.00 N ATOM 196 CA ILE A 15 -2.525 10.122 -5.598 1.00 0.00 C ATOM 197 C ILE A 15 -3.110 9.381 -4.400 1.00 0.00 C ATOM 198 O ILE A 15 -3.997 9.890 -3.710 1.00 0.00 O ATOM 199 CB ILE A 15 -2.810 9.330 -6.900 1.00 0.00 C ATOM 200 CG1 ILE A 15 -2.283 10.107 -8.120 1.00 0.00 C ATOM 201 CG2 ILE A 15 -4.307 9.044 -7.042 1.00 0.00 C ATOM 202 CD1 ILE A 15 -2.560 9.434 -9.451 1.00 0.00 C ATOM 0 H ILE A 15 -0.496 9.775 -5.999 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.997 11.099 -5.698 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.289 8.374 -6.848 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.733 11.100 -8.127 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.207 10.245 -8.012 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.485 8.487 -7.962 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.647 8.455 -6.190 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.856 9.985 -7.075 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.157 10.045 -10.259 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.087 8.452 -9.468 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.636 9.320 -9.584 1.00 0.00 H new ATOM 214 N VAL A 16 -2.582 8.192 -4.135 1.00 0.00 N ATOM 215 CA VAL A 16 -3.012 7.393 -2.996 1.00 0.00 C ATOM 216 C VAL A 16 -1.901 7.352 -1.954 1.00 0.00 C ATOM 217 O VAL A 16 -0.832 6.805 -2.205 1.00 0.00 O ATOM 218 CB VAL A 16 -3.376 5.945 -3.420 1.00 0.00 C ATOM 219 CG1 VAL A 16 -3.827 5.117 -2.216 1.00 0.00 C ATOM 220 CG2 VAL A 16 -4.452 5.957 -4.506 1.00 0.00 C ATOM 0 H VAL A 16 -1.850 7.758 -4.698 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.904 7.857 -2.576 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.481 5.477 -3.830 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.076 4.107 -2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.022 5.074 -1.482 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.705 5.579 -1.765 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.694 4.933 -4.790 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.347 6.449 -4.126 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.083 6.498 -5.378 1.00 0.00 H new ATOM 230 N ARG A 17 -2.142 7.953 -0.795 1.00 0.00 N ATOM 231 CA ARG A 17 -1.162 7.939 0.285 1.00 0.00 C ATOM 232 C ARG A 17 -1.850 7.662 1.615 1.00 0.00 C ATOM 233 O ARG A 17 -2.872 8.273 1.936 1.00 0.00 O ATOM 234 CB ARG A 17 -0.354 9.254 0.350 1.00 0.00 C ATOM 235 CG ARG A 17 -1.169 10.508 0.667 1.00 0.00 C ATOM 236 CD ARG A 17 -2.006 10.978 -0.519 1.00 0.00 C ATOM 237 NE ARG A 17 -2.841 12.127 -0.169 1.00 0.00 N ATOM 238 CZ ARG A 17 -3.831 12.611 -0.927 1.00 0.00 C ATOM 239 NH1 ARG A 17 -4.115 12.060 -2.106 1.00 0.00 N ATOM 240 NH2 ARG A 17 -4.534 13.653 -0.502 1.00 0.00 N ATOM 0 H ARG A 17 -3.004 8.454 -0.579 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.453 7.137 0.078 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.424 9.146 1.106 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.149 9.400 -0.606 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.826 10.306 1.513 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.494 11.308 0.971 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.348 11.245 -1.346 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.638 10.160 -0.865 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.654 12.594 0.719 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.575 11.261 -2.439 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.872 12.437 -2.676 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.318 14.081 0.399 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.290 14.026 -1.076 1.00 0.00 H new ATOM 254 N VAL A 18 -1.300 6.713 2.365 1.00 0.00 N ATOM 255 CA VAL A 18 -1.839 6.326 3.665 1.00 0.00 C ATOM 256 C VAL A 18 -0.719 6.271 4.700 1.00 0.00 C ATOM 257 O VAL A 18 0.459 6.386 4.359 1.00 0.00 O ATOM 258 CB VAL A 18 -2.552 4.945 3.610 1.00 0.00 C ATOM 259 CG1 VAL A 18 -3.744 4.978 2.654 1.00 0.00 C ATOM 260 CG2 VAL A 18 -1.572 3.840 3.217 1.00 0.00 C ATOM 0 H VAL A 18 -0.469 6.190 2.090 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.575 7.078 3.948 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.929 4.725 4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.223 3.999 2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.461 5.727 2.992 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.399 5.232 1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.095 2.884 3.186 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.154 4.057 2.234 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.767 3.789 3.951 1.00 0.00 H new ATOM 270 N LYS A 19 -1.094 6.099 5.959 1.00 0.00 N ATOM 271 CA LYS A 19 -0.128 5.974 7.046 1.00 0.00 C ATOM 272 C LYS A 19 -0.140 4.542 7.583 1.00 0.00 C ATOM 273 O LYS A 19 -1.107 4.111 8.207 1.00 0.00 O ATOM 274 CB LYS A 19 -0.447 6.986 8.160 1.00 0.00 C ATOM 275 CG LYS A 19 -1.881 6.906 8.677 1.00 0.00 C ATOM 276 CD LYS A 19 -2.154 7.942 9.764 1.00 0.00 C ATOM 277 CE LYS A 19 -3.589 7.855 10.270 1.00 0.00 C ATOM 278 NZ LYS A 19 -3.860 8.835 11.353 1.00 0.00 N ATOM 0 H LYS A 19 -2.068 6.042 6.257 1.00 0.00 H new ATOM 0 HA LYS A 19 0.871 6.194 6.670 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.238 6.824 8.992 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.262 7.993 7.786 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.574 7.057 7.849 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.069 5.908 9.072 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.464 7.790 10.594 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.965 8.941 9.372 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.276 8.031 9.442 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.783 6.847 10.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.847 8.741 11.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.223 8.652 12.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.700 9.799 10.997 1.00 0.00 H new ATOM 292 N ALA A 20 0.929 3.801 7.313 1.00 0.00 N ATOM 293 CA ALA A 20 1.016 2.401 7.719 1.00 0.00 C ATOM 294 C ALA A 20 2.471 1.956 7.813 1.00 0.00 C ATOM 295 O ALA A 20 3.349 2.567 7.205 1.00 0.00 O ATOM 296 CB ALA A 20 0.251 1.523 6.735 1.00 0.00 C ATOM 0 H ALA A 20 1.749 4.146 6.814 1.00 0.00 H new ATOM 0 HA ALA A 20 0.566 2.297 8.706 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.322 0.481 7.046 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.796 1.826 6.715 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.680 1.634 5.739 1.00 0.00 H new ATOM 302 N VAL A 21 2.723 0.896 8.574 1.00 0.00 N ATOM 303 CA VAL A 21 4.082 0.393 8.767 1.00 0.00 C ATOM 304 C VAL A 21 4.508 -0.480 7.590 1.00 0.00 C ATOM 305 O VAL A 21 3.966 -1.566 7.386 1.00 0.00 O ATOM 306 CB VAL A 21 4.215 -0.434 10.074 1.00 0.00 C ATOM 307 CG1 VAL A 21 5.662 -0.896 10.279 1.00 0.00 C ATOM 308 CG2 VAL A 21 3.721 0.370 11.275 1.00 0.00 C ATOM 0 H VAL A 21 2.005 0.367 9.068 1.00 0.00 H new ATOM 0 HA VAL A 21 4.730 1.266 8.837 1.00 0.00 H new ATOM 0 HB VAL A 21 3.589 -1.321 9.983 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.732 -1.474 11.201 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.968 -1.517 9.437 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.316 -0.026 10.345 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.823 -0.228 12.180 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.314 1.280 11.372 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.673 0.633 11.130 1.00 0.00 H new ATOM 318 N VAL A 22 5.467 0.008 6.816 1.00 0.00 N ATOM 319 CA VAL A 22 6.023 -0.762 5.708 1.00 0.00 C ATOM 320 C VAL A 22 6.959 -1.852 6.234 1.00 0.00 C ATOM 321 O VAL A 22 7.861 -1.582 7.031 1.00 0.00 O ATOM 322 CB VAL A 22 6.773 0.150 4.703 1.00 0.00 C ATOM 323 CG1 VAL A 22 5.790 1.053 3.956 1.00 0.00 C ATOM 324 CG2 VAL A 22 7.836 0.987 5.414 1.00 0.00 C ATOM 0 H VAL A 22 5.878 0.934 6.934 1.00 0.00 H new ATOM 0 HA VAL A 22 5.193 -1.231 5.179 1.00 0.00 H new ATOM 0 HB VAL A 22 7.274 -0.489 3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.336 1.685 3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.075 0.438 3.409 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.257 1.680 4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.348 1.618 4.688 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.361 1.614 6.168 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.558 0.327 5.894 1.00 0.00 H new ATOM 334 N MET A 23 6.731 -3.083 5.787 1.00 0.00 N ATOM 335 CA MET A 23 7.497 -4.246 6.240 1.00 0.00 C ATOM 336 C MET A 23 8.148 -4.928 5.040 1.00 0.00 C ATOM 337 O MET A 23 7.790 -4.650 3.895 1.00 0.00 O ATOM 338 CB MET A 23 6.571 -5.238 6.967 1.00 0.00 C ATOM 339 CG MET A 23 5.901 -4.668 8.215 1.00 0.00 C ATOM 340 SD MET A 23 7.047 -4.455 9.594 1.00 0.00 S ATOM 341 CE MET A 23 7.455 -6.161 9.962 1.00 0.00 C ATOM 0 H MET A 23 6.010 -3.306 5.100 1.00 0.00 H new ATOM 0 HA MET A 23 8.272 -3.916 6.932 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.799 -5.572 6.274 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.149 -6.118 7.248 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.451 -3.706 7.972 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.091 -5.331 8.521 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.817 -6.235 10.987 1.00 0.00 H new ATOM 0 HE2 MET A 23 6.566 -6.781 9.845 1.00 0.00 H new ATOM 0 HE3 MET A 23 8.230 -6.506 9.277 1.00 0.00 H new ATOM 351 N THR A 24 9.092 -5.829 5.291 1.00 0.00 N ATOM 352 CA THR A 24 9.743 -6.552 4.208 1.00 0.00 C ATOM 353 C THR A 24 10.049 -7.993 4.615 1.00 0.00 C ATOM 354 O THR A 24 10.000 -8.353 5.794 1.00 0.00 O ATOM 355 CB THR A 24 11.041 -5.835 3.746 1.00 0.00 C ATOM 356 OG1 THR A 24 11.501 -6.383 2.498 1.00 0.00 O ATOM 357 CG2 THR A 24 12.143 -5.947 4.786 1.00 0.00 C ATOM 0 H THR A 24 9.420 -6.073 6.225 1.00 0.00 H new ATOM 0 HA THR A 24 9.049 -6.570 3.368 1.00 0.00 H new ATOM 0 HB THR A 24 10.800 -4.780 3.614 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.969 -5.689 1.989 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.035 -5.434 4.427 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.811 -5.490 5.718 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.374 -6.998 4.959 1.00 0.00 H new ATOM 365 N ARG A 25 10.340 -8.811 3.617 1.00 0.00 N ATOM 366 CA ARG A 25 10.655 -10.218 3.809 1.00 0.00 C ATOM 367 C ARG A 25 11.609 -10.655 2.708 1.00 0.00 C ATOM 368 O ARG A 25 11.440 -10.259 1.552 1.00 0.00 O ATOM 369 CB ARG A 25 9.367 -11.055 3.766 1.00 0.00 C ATOM 370 CG ARG A 25 9.582 -12.563 3.853 1.00 0.00 C ATOM 371 CD ARG A 25 8.251 -13.301 3.928 1.00 0.00 C ATOM 372 NE ARG A 25 8.389 -14.749 3.775 1.00 0.00 N ATOM 373 CZ ARG A 25 7.352 -15.580 3.626 1.00 0.00 C ATOM 374 NH1 ARG A 25 6.111 -15.108 3.650 1.00 0.00 N ATOM 375 NH2 ARG A 25 7.555 -16.878 3.456 1.00 0.00 N ATOM 0 H ARG A 25 10.365 -8.515 2.641 1.00 0.00 H new ATOM 0 HA ARG A 25 11.125 -10.367 4.781 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.722 -10.746 4.588 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.835 -10.831 2.842 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.143 -12.905 2.983 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.182 -12.798 4.732 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.777 -13.086 4.886 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.587 -12.921 3.151 1.00 0.00 H new ATOM 0 HE ARG A 25 9.328 -15.147 3.782 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.947 -14.110 3.782 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.321 -15.744 3.536 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.506 -17.248 3.438 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.761 -17.508 3.343 1.00 0.00 H new ATOM 389 N ASP A 26 12.596 -11.473 3.050 1.00 0.00 N ATOM 390 CA ASP A 26 13.601 -11.922 2.082 1.00 0.00 C ATOM 391 C ASP A 26 13.034 -13.055 1.210 1.00 0.00 C ATOM 392 O ASP A 26 13.746 -13.983 0.822 1.00 0.00 O ATOM 393 CB ASP A 26 14.870 -12.374 2.827 1.00 0.00 C ATOM 394 CG ASP A 26 16.029 -12.717 1.896 1.00 0.00 C ATOM 395 OD1 ASP A 26 16.266 -11.959 0.929 1.00 0.00 O ATOM 396 OD2 ASP A 26 16.717 -13.735 2.135 1.00 0.00 O ATOM 0 H ASP A 26 12.726 -11.843 3.992 1.00 0.00 H new ATOM 0 HA ASP A 26 13.864 -11.095 1.422 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.183 -11.583 3.509 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.633 -13.246 3.437 1.00 0.00 H new ATOM 401 N ASP A 27 11.743 -12.930 0.876 1.00 0.00 N ATOM 402 CA ASP A 27 10.963 -13.983 0.216 1.00 0.00 C ATOM 403 C ASP A 27 10.863 -15.198 1.130 1.00 0.00 C ATOM 404 O ASP A 27 9.767 -15.577 1.550 1.00 0.00 O ATOM 405 CB ASP A 27 11.546 -14.378 -1.150 1.00 0.00 C ATOM 406 CG ASP A 27 10.608 -15.291 -1.925 1.00 0.00 C ATOM 407 OD1 ASP A 27 9.616 -14.783 -2.501 1.00 0.00 O ATOM 408 OD2 ASP A 27 10.837 -16.519 -1.946 1.00 0.00 O ATOM 0 H ASP A 27 11.205 -12.083 1.059 1.00 0.00 H new ATOM 0 HA ASP A 27 9.966 -13.586 0.026 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.743 -13.479 -1.734 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.503 -14.879 -1.005 1.00 0.00 H new ATOM 413 N SER A 28 12.009 -15.802 1.423 1.00 0.00 N ATOM 414 CA SER A 28 12.118 -16.819 2.463 1.00 0.00 C ATOM 415 C SER A 28 11.923 -16.177 3.842 1.00 0.00 C ATOM 416 O SER A 28 11.867 -14.946 3.951 1.00 0.00 O ATOM 417 CB SER A 28 13.491 -17.504 2.368 1.00 0.00 C ATOM 418 OG SER A 28 14.549 -16.550 2.323 1.00 0.00 O ATOM 0 H SER A 28 12.888 -15.601 0.947 1.00 0.00 H new ATOM 0 HA SER A 28 11.342 -17.572 2.323 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.630 -18.163 3.225 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.526 -18.130 1.476 1.00 0.00 H new ATOM 0 HG SER A 28 15.408 -17.017 2.264 1.00 0.00 H new ATOM 424 N SER A 29 11.807 -17.008 4.878 1.00 0.00 N ATOM 425 CA SER A 29 11.652 -16.536 6.256 1.00 0.00 C ATOM 426 C SER A 29 10.327 -15.780 6.437 1.00 0.00 C ATOM 427 O SER A 29 10.236 -14.584 6.157 1.00 0.00 O ATOM 428 CB SER A 29 12.844 -15.648 6.652 1.00 0.00 C ATOM 429 OG SER A 29 14.076 -16.301 6.385 1.00 0.00 O ATOM 0 H SER A 29 11.818 -18.024 4.787 1.00 0.00 H new ATOM 0 HA SER A 29 11.631 -17.405 6.914 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.800 -14.708 6.102 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.782 -15.401 7.712 1.00 0.00 H new ATOM 0 HG SER A 29 14.819 -15.716 6.643 1.00 0.00 H new ATOM 435 N GLY A 30 9.304 -16.485 6.915 1.00 0.00 N ATOM 436 CA GLY A 30 7.973 -15.903 7.047 1.00 0.00 C ATOM 437 C GLY A 30 7.805 -15.048 8.291 1.00 0.00 C ATOM 438 O GLY A 30 6.680 -14.839 8.757 1.00 0.00 O ATOM 0 H GLY A 30 9.372 -17.457 7.216 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.762 -15.295 6.167 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.235 -16.705 7.065 1.00 0.00 H new ATOM 442 N GLY A 31 8.910 -14.546 8.829 1.00 0.00 N ATOM 443 CA GLY A 31 8.849 -13.700 10.006 1.00 0.00 C ATOM 444 C GLY A 31 8.480 -12.266 9.671 1.00 0.00 C ATOM 445 O GLY A 31 7.895 -11.568 10.498 1.00 0.00 O ATOM 0 H GLY A 31 9.850 -14.710 8.470 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.118 -14.107 10.705 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.815 -13.715 10.511 1.00 0.00 H new ATOM 449 N TRP A 32 8.805 -11.843 8.446 1.00 0.00 N ATOM 450 CA TRP A 32 8.589 -10.464 7.995 1.00 0.00 C ATOM 451 C TRP A 32 9.323 -9.476 8.898 1.00 0.00 C ATOM 452 O TRP A 32 8.879 -9.164 10.005 1.00 0.00 O ATOM 453 CB TRP A 32 7.085 -10.131 7.892 1.00 0.00 C ATOM 454 CG TRP A 32 6.394 -10.952 6.843 1.00 0.00 C ATOM 455 CD1 TRP A 32 5.889 -12.213 6.978 1.00 0.00 C ATOM 456 CD2 TRP A 32 6.154 -10.566 5.489 1.00 0.00 C ATOM 457 NE1 TRP A 32 5.353 -12.636 5.785 1.00 0.00 N ATOM 458 CE2 TRP A 32 5.501 -11.639 4.856 1.00 0.00 C ATOM 459 CE3 TRP A 32 6.427 -9.414 4.753 1.00 0.00 C ATOM 460 CZ2 TRP A 32 5.120 -11.589 3.519 1.00 0.00 C ATOM 461 CZ3 TRP A 32 6.047 -9.368 3.428 1.00 0.00 C ATOM 462 CH2 TRP A 32 5.401 -10.450 2.824 1.00 0.00 C ATOM 0 H TRP A 32 9.225 -12.446 7.739 1.00 0.00 H new ATOM 0 HA TRP A 32 9.006 -10.371 6.992 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.609 -10.303 8.858 1.00 0.00 H new ATOM 0 HB3 TRP A 32 6.964 -9.073 7.661 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.908 -12.793 7.889 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.917 -13.543 5.618 1.00 0.00 H new ATOM 0 HE3 TRP A 32 6.927 -8.573 5.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 4.620 -12.422 3.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 6.252 -8.481 2.847 1.00 0.00 H new ATOM 0 HH2 TRP A 32 5.118 -10.383 1.784 1.00 0.00 H new ATOM 473 N PHE A 33 10.466 -8.993 8.415 1.00 0.00 N ATOM 474 CA PHE A 33 11.339 -8.138 9.208 1.00 0.00 C ATOM 475 C PHE A 33 11.164 -6.667 8.819 1.00 0.00 C ATOM 476 O PHE A 33 11.073 -6.337 7.637 1.00 0.00 O ATOM 477 CB PHE A 33 12.810 -8.584 9.067 1.00 0.00 C ATOM 478 CG PHE A 33 13.390 -8.526 7.665 1.00 0.00 C ATOM 479 CD1 PHE A 33 13.107 -9.510 6.720 1.00 0.00 C ATOM 480 CD2 PHE A 33 14.252 -7.498 7.303 1.00 0.00 C ATOM 481 CE1 PHE A 33 13.670 -9.464 5.460 1.00 0.00 C ATOM 482 CE2 PHE A 33 14.811 -7.451 6.040 1.00 0.00 C ATOM 483 CZ PHE A 33 14.522 -8.436 5.119 1.00 0.00 C ATOM 0 H PHE A 33 10.808 -9.182 7.473 1.00 0.00 H new ATOM 0 HA PHE A 33 11.057 -8.238 10.256 1.00 0.00 H new ATOM 0 HB2 PHE A 33 13.422 -7.961 9.718 1.00 0.00 H new ATOM 0 HB3 PHE A 33 12.896 -9.607 9.433 1.00 0.00 H new ATOM 0 HD1 PHE A 33 12.439 -10.319 6.976 1.00 0.00 H new ATOM 0 HD2 PHE A 33 14.488 -6.725 8.019 1.00 0.00 H new ATOM 0 HE1 PHE A 33 13.442 -10.236 4.740 1.00 0.00 H new ATOM 0 HE2 PHE A 33 15.475 -6.642 5.774 1.00 0.00 H new ATOM 0 HZ PHE A 33 14.962 -8.402 4.133 1.00 0.00 H new ATOM 493 N PRO A 34 11.075 -5.769 9.818 1.00 0.00 N ATOM 494 CA PRO A 34 10.933 -4.332 9.579 1.00 0.00 C ATOM 495 C PRO A 34 12.268 -3.672 9.219 1.00 0.00 C ATOM 496 O PRO A 34 13.178 -3.580 10.050 1.00 0.00 O ATOM 497 CB PRO A 34 10.397 -3.815 10.916 1.00 0.00 C ATOM 498 CG PRO A 34 10.953 -4.747 11.938 1.00 0.00 C ATOM 499 CD PRO A 34 11.086 -6.091 11.261 1.00 0.00 C ATOM 0 HA PRO A 34 10.282 -4.107 8.734 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.718 -2.790 11.100 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.307 -3.816 10.932 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.920 -4.396 12.298 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.294 -4.812 12.804 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.009 -6.594 11.550 1.00 0.00 H new ATOM 0 HD3 PRO A 34 10.264 -6.755 11.528 1.00 0.00 H new ATOM 507 N GLN A 35 12.382 -3.234 7.970 1.00 0.00 N ATOM 508 CA GLN A 35 13.599 -2.592 7.466 1.00 0.00 C ATOM 509 C GLN A 35 13.724 -1.153 7.978 1.00 0.00 C ATOM 510 O GLN A 35 12.769 -0.593 8.533 1.00 0.00 O ATOM 511 CB GLN A 35 13.616 -2.595 5.924 1.00 0.00 C ATOM 512 CG GLN A 35 12.609 -1.638 5.276 1.00 0.00 C ATOM 513 CD GLN A 35 11.160 -1.998 5.562 1.00 0.00 C ATOM 514 OE1 GLN A 35 10.812 -3.169 5.704 1.00 0.00 O ATOM 515 NE2 GLN A 35 10.307 -0.994 5.669 1.00 0.00 N ATOM 0 H GLN A 35 11.638 -3.312 7.277 1.00 0.00 H new ATOM 0 HA GLN A 35 14.448 -3.166 7.836 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.618 -2.333 5.584 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.414 -3.607 5.573 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.801 -0.626 5.632 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.768 -1.632 4.198 1.00 0.00 H new ATOM 0 HE21 GLN A 35 10.630 -0.035 5.545 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.325 -1.179 5.876 1.00 0.00 H new ATOM 524 N GLU A 36 14.911 -0.573 7.774 1.00 0.00 N ATOM 525 CA GLU A 36 15.208 0.817 8.140 1.00 0.00 C ATOM 526 C GLU A 36 15.077 1.021 9.653 1.00 0.00 C ATOM 527 O GLU A 36 16.081 1.069 10.367 1.00 0.00 O ATOM 528 CB GLU A 36 14.299 1.793 7.356 1.00 0.00 C ATOM 529 CG GLU A 36 14.765 3.255 7.357 1.00 0.00 C ATOM 530 CD GLU A 36 14.577 3.960 8.694 1.00 0.00 C ATOM 531 OE1 GLU A 36 13.429 4.312 9.027 1.00 0.00 O ATOM 532 OE2 GLU A 36 15.579 4.169 9.417 1.00 0.00 O ATOM 0 H GLU A 36 15.700 -1.058 7.347 1.00 0.00 H new ATOM 0 HA GLU A 36 16.241 1.033 7.867 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.229 1.450 6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.294 1.747 7.776 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.820 3.290 7.083 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.218 3.801 6.589 1.00 0.00 H new ATOM 539 N GLY A 37 13.842 1.134 10.133 1.00 0.00 N ATOM 540 CA GLY A 37 13.600 1.337 11.552 1.00 0.00 C ATOM 541 C GLY A 37 12.297 0.711 12.016 1.00 0.00 C ATOM 542 O GLY A 37 12.019 0.672 13.216 1.00 0.00 O ATOM 0 H GLY A 37 12.999 1.088 9.561 1.00 0.00 H new ATOM 0 HA2 GLY A 37 14.426 0.913 12.122 1.00 0.00 H new ATOM 0 HA3 GLY A 37 13.582 2.406 11.765 1.00 0.00 H new ATOM 546 N GLY A 38 11.499 0.220 11.066 1.00 0.00 N ATOM 547 CA GLY A 38 10.226 -0.406 11.394 1.00 0.00 C ATOM 548 C GLY A 38 9.288 0.514 12.156 1.00 0.00 C ATOM 549 O GLY A 38 9.212 0.460 13.388 1.00 0.00 O ATOM 0 H GLY A 38 11.714 0.245 10.069 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.739 -0.730 10.474 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.410 -1.301 11.989 1.00 0.00 H new ATOM 553 N GLY A 39 8.571 1.359 11.428 1.00 0.00 N ATOM 554 CA GLY A 39 7.642 2.282 12.052 1.00 0.00 C ATOM 555 C GLY A 39 6.569 2.741 11.092 1.00 0.00 C ATOM 556 O GLY A 39 6.612 2.409 9.904 1.00 0.00 O ATOM 0 H GLY A 39 8.616 1.422 10.411 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.177 1.802 12.913 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.188 3.148 12.427 1.00 0.00 H new ATOM 560 N ILE A 40 5.601 3.497 11.605 1.00 0.00 N ATOM 561 CA ILE A 40 4.520 4.030 10.780 1.00 0.00 C ATOM 562 C ILE A 40 5.095 4.896 9.655 1.00 0.00 C ATOM 563 O ILE A 40 5.915 5.788 9.893 1.00 0.00 O ATOM 564 CB ILE A 40 3.502 4.839 11.628 1.00 0.00 C ATOM 565 CG1 ILE A 40 2.427 5.484 10.733 1.00 0.00 C ATOM 566 CG2 ILE A 40 4.217 5.888 12.475 1.00 0.00 C ATOM 567 CD1 ILE A 40 1.363 6.246 11.501 1.00 0.00 C ATOM 0 H ILE A 40 5.543 3.755 12.590 1.00 0.00 H new ATOM 0 HA ILE A 40 3.984 3.189 10.341 1.00 0.00 H new ATOM 0 HB ILE A 40 2.998 4.148 12.304 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.912 6.164 10.032 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.946 4.705 10.141 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.485 6.443 13.061 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.921 5.396 13.146 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.757 6.575 11.824 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.643 6.670 10.801 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.850 5.567 12.182 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.831 7.048 12.072 1.00 0.00 H new ATOM 579 N SER A 41 4.667 4.620 8.432 1.00 0.00 N ATOM 580 CA SER A 41 5.264 5.224 7.250 1.00 0.00 C ATOM 581 C SER A 41 4.234 5.996 6.429 1.00 0.00 C ATOM 582 O SER A 41 3.056 5.630 6.369 1.00 0.00 O ATOM 583 CB SER A 41 5.913 4.129 6.390 1.00 0.00 C ATOM 584 OG SER A 41 6.476 4.660 5.202 1.00 0.00 O ATOM 0 H SER A 41 3.902 3.976 8.232 1.00 0.00 H new ATOM 0 HA SER A 41 6.022 5.936 7.577 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.689 3.625 6.967 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.167 3.377 6.134 1.00 0.00 H new ATOM 0 HG SER A 41 6.831 5.556 5.380 1.00 0.00 H new ATOM 590 N ARG A 42 4.700 7.080 5.822 1.00 0.00 N ATOM 591 CA ARG A 42 3.928 7.850 4.859 1.00 0.00 C ATOM 592 C ARG A 42 3.938 7.106 3.526 1.00 0.00 C ATOM 593 O ARG A 42 4.777 7.366 2.662 1.00 0.00 O ATOM 594 CB ARG A 42 4.551 9.253 4.731 1.00 0.00 C ATOM 595 CG ARG A 42 3.970 10.145 3.631 1.00 0.00 C ATOM 596 CD ARG A 42 4.687 11.494 3.603 1.00 0.00 C ATOM 597 NE ARG A 42 4.255 12.355 2.498 1.00 0.00 N ATOM 598 CZ ARG A 42 3.787 13.594 2.658 1.00 0.00 C ATOM 599 NH1 ARG A 42 3.627 14.099 3.875 1.00 0.00 N ATOM 600 NH2 ARG A 42 3.506 14.343 1.600 1.00 0.00 N ATOM 0 H ARG A 42 5.635 7.452 5.987 1.00 0.00 H new ATOM 0 HA ARG A 42 2.894 7.966 5.182 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.440 9.767 5.686 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.620 9.140 4.553 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.071 9.653 2.664 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.904 10.296 3.802 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.513 12.010 4.547 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.761 11.326 3.525 1.00 0.00 H new ATOM 0 HE ARG A 42 4.316 11.984 1.550 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.862 13.539 4.694 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.269 15.047 3.991 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.648 13.972 0.660 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.148 15.290 1.726 1.00 0.00 H new ATOM 614 N VAL A 43 3.038 6.136 3.397 1.00 0.00 N ATOM 615 CA VAL A 43 2.983 5.282 2.216 1.00 0.00 C ATOM 616 C VAL A 43 2.423 6.054 1.025 1.00 0.00 C ATOM 617 O VAL A 43 1.207 6.139 0.840 1.00 0.00 O ATOM 618 CB VAL A 43 2.124 4.014 2.467 1.00 0.00 C ATOM 619 CG1 VAL A 43 2.146 3.084 1.253 1.00 0.00 C ATOM 620 CG2 VAL A 43 2.597 3.282 3.723 1.00 0.00 C ATOM 0 H VAL A 43 2.332 5.921 4.101 1.00 0.00 H new ATOM 0 HA VAL A 43 4.002 4.965 1.996 1.00 0.00 H new ATOM 0 HB VAL A 43 1.093 4.331 2.624 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.536 2.204 1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.747 3.609 0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.171 2.775 1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.982 2.396 3.881 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.638 2.984 3.600 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.509 3.944 4.585 1.00 0.00 H new ATOM 630 N GLY A 44 3.319 6.646 0.246 1.00 0.00 N ATOM 631 CA GLY A 44 2.922 7.420 -0.911 1.00 0.00 C ATOM 632 C GLY A 44 2.908 6.601 -2.182 1.00 0.00 C ATOM 633 O GLY A 44 3.941 6.421 -2.827 1.00 0.00 O ATOM 0 H GLY A 44 4.326 6.602 0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.929 7.837 -0.741 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.605 8.261 -1.033 1.00 0.00 H new ATOM 637 N VAL A 45 1.738 6.094 -2.536 1.00 0.00 N ATOM 638 CA VAL A 45 1.568 5.346 -3.776 1.00 0.00 C ATOM 639 C VAL A 45 1.383 6.321 -4.935 1.00 0.00 C ATOM 640 O VAL A 45 0.273 6.798 -5.206 1.00 0.00 O ATOM 641 CB VAL A 45 0.369 4.366 -3.703 1.00 0.00 C ATOM 642 CG1 VAL A 45 0.235 3.567 -4.999 1.00 0.00 C ATOM 643 CG2 VAL A 45 0.515 3.435 -2.501 1.00 0.00 C ATOM 0 H VAL A 45 0.887 6.186 -1.981 1.00 0.00 H new ATOM 0 HA VAL A 45 2.465 4.747 -3.935 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.543 4.950 -3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.614 2.887 -4.921 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.077 4.251 -5.833 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.146 2.993 -5.168 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.335 2.753 -2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.437 2.861 -2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.547 4.025 -1.585 1.00 0.00 H new ATOM 653 N CYS A 46 2.492 6.649 -5.581 1.00 0.00 N ATOM 654 CA CYS A 46 2.502 7.600 -6.682 1.00 0.00 C ATOM 655 C CYS A 46 2.319 6.879 -8.014 1.00 0.00 C ATOM 656 O CYS A 46 3.171 6.085 -8.415 1.00 0.00 O ATOM 657 CB CYS A 46 3.828 8.372 -6.675 1.00 0.00 C ATOM 658 SG CYS A 46 4.028 9.535 -8.042 1.00 0.00 S ATOM 0 H CYS A 46 3.409 6.264 -5.357 1.00 0.00 H new ATOM 0 HA CYS A 46 1.675 8.299 -6.557 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.910 8.918 -5.735 1.00 0.00 H new ATOM 0 HB3 CYS A 46 4.650 7.657 -6.701 1.00 0.00 H new ATOM 0 HG CYS A 46 3.566 9.004 -9.135 1.00 0.00 H new ATOM 664 N LYS A 47 1.200 7.133 -8.689 1.00 0.00 N ATOM 665 CA LYS A 47 0.982 6.577 -10.019 1.00 0.00 C ATOM 666 C LYS A 47 1.823 7.361 -11.022 1.00 0.00 C ATOM 667 O LYS A 47 1.402 8.408 -11.522 1.00 0.00 O ATOM 668 CB LYS A 47 -0.506 6.612 -10.410 1.00 0.00 C ATOM 669 CG LYS A 47 -0.818 5.845 -11.695 1.00 0.00 C ATOM 670 CD LYS A 47 -2.277 5.996 -12.128 1.00 0.00 C ATOM 671 CE LYS A 47 -3.246 5.473 -11.075 1.00 0.00 C ATOM 672 NZ LYS A 47 -4.654 5.490 -11.554 1.00 0.00 N ATOM 0 H LYS A 47 0.438 7.714 -8.340 1.00 0.00 H new ATOM 0 HA LYS A 47 1.286 5.530 -10.020 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.097 6.195 -9.595 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.817 7.650 -10.531 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.167 6.200 -12.494 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.594 4.789 -11.547 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.489 7.047 -12.325 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.434 5.459 -13.063 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.969 4.455 -10.801 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.163 6.079 -10.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.294 5.630 -10.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.780 6.267 -12.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.874 4.585 -12.017 1.00 0.00 H new ATOM 686 N VAL A 48 3.028 6.866 -11.271 1.00 0.00 N ATOM 687 CA VAL A 48 4.002 7.562 -12.105 1.00 0.00 C ATOM 688 C VAL A 48 3.814 7.230 -13.584 1.00 0.00 C ATOM 689 O VAL A 48 3.060 6.323 -13.943 1.00 0.00 O ATOM 690 CB VAL A 48 5.451 7.210 -11.682 1.00 0.00 C ATOM 691 CG1 VAL A 48 5.739 7.712 -10.267 1.00 0.00 C ATOM 692 CG2 VAL A 48 5.687 5.701 -11.784 1.00 0.00 C ATOM 0 H VAL A 48 3.358 5.974 -10.903 1.00 0.00 H new ATOM 0 HA VAL A 48 3.835 8.630 -11.962 1.00 0.00 H new ATOM 0 HB VAL A 48 6.139 7.710 -12.363 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.761 7.454 -9.991 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.616 8.794 -10.233 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.045 7.246 -9.567 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.709 5.471 -11.483 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.990 5.179 -11.129 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.530 5.377 -12.813 1.00 0.00 H new ATOM 702 N MET A 49 4.516 7.965 -14.435 1.00 0.00 N ATOM 703 CA MET A 49 4.437 7.773 -15.878 1.00 0.00 C ATOM 704 C MET A 49 5.830 7.566 -16.459 1.00 0.00 C ATOM 705 O MET A 49 6.823 7.547 -15.730 1.00 0.00 O ATOM 706 CB MET A 49 3.767 8.985 -16.546 1.00 0.00 C ATOM 707 CG MET A 49 4.540 10.289 -16.374 1.00 0.00 C ATOM 708 SD MET A 49 3.814 11.660 -17.296 1.00 0.00 S ATOM 709 CE MET A 49 4.008 11.084 -18.984 1.00 0.00 C ATOM 0 H MET A 49 5.153 8.708 -14.148 1.00 0.00 H new ATOM 0 HA MET A 49 3.834 6.886 -16.075 1.00 0.00 H new ATOM 0 HB2 MET A 49 3.648 8.782 -17.610 1.00 0.00 H new ATOM 0 HB3 MET A 49 2.767 9.109 -16.132 1.00 0.00 H new ATOM 0 HG2 MET A 49 4.576 10.548 -15.316 1.00 0.00 H new ATOM 0 HG3 MET A 49 5.569 10.142 -16.701 1.00 0.00 H new ATOM 0 HE1 MET A 49 3.964 11.933 -19.666 1.00 0.00 H new ATOM 0 HE2 MET A 49 4.971 10.584 -19.089 1.00 0.00 H new ATOM 0 HE3 MET A 49 3.208 10.384 -19.224 1.00 0.00 H new ATOM 719 N HIS A 50 5.894 7.418 -17.775 1.00 0.00 N ATOM 720 CA HIS A 50 7.156 7.246 -18.483 1.00 0.00 C ATOM 721 C HIS A 50 7.169 8.155 -19.711 1.00 0.00 C ATOM 722 O HIS A 50 6.104 8.597 -20.156 1.00 0.00 O ATOM 723 CB HIS A 50 7.337 5.774 -18.891 1.00 0.00 C ATOM 724 CG HIS A 50 6.363 5.305 -19.931 1.00 0.00 C ATOM 725 ND1 HIS A 50 6.712 5.028 -21.233 1.00 0.00 N ATOM 726 CD2 HIS A 50 5.031 5.053 -19.841 1.00 0.00 C ATOM 727 CE1 HIS A 50 5.614 4.628 -21.881 1.00 0.00 C ATOM 728 NE2 HIS A 50 4.563 4.626 -21.082 1.00 0.00 N ATOM 0 H HIS A 50 5.074 7.414 -18.382 1.00 0.00 H new ATOM 0 HA HIS A 50 7.985 7.519 -17.830 1.00 0.00 H new ATOM 0 HB2 HIS A 50 8.350 5.634 -19.268 1.00 0.00 H new ATOM 0 HB3 HIS A 50 7.237 5.147 -18.005 1.00 0.00 H new ATOM 0 HD1 HIS A 50 7.646 5.113 -21.634 1.00 0.00 H new ATOM 0 HD2 HIS A 50 4.431 5.166 -18.950 1.00 0.00 H new ATOM 0 HE1 HIS A 50 5.590 4.343 -22.923 1.00 0.00 H new ATOM 736 N PRO A 51 8.364 8.466 -20.260 1.00 0.00 N ATOM 737 CA PRO A 51 8.495 9.307 -21.460 1.00 0.00 C ATOM 738 C PRO A 51 7.516 8.902 -22.567 1.00 0.00 C ATOM 739 O PRO A 51 7.328 7.709 -22.833 1.00 0.00 O ATOM 740 CB PRO A 51 9.943 9.061 -21.895 1.00 0.00 C ATOM 741 CG PRO A 51 10.666 8.776 -20.623 1.00 0.00 C ATOM 742 CD PRO A 51 9.685 8.038 -19.746 1.00 0.00 C ATOM 0 HA PRO A 51 8.267 10.354 -21.260 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.013 8.223 -22.589 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.359 9.931 -22.403 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.556 8.174 -20.806 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.998 9.699 -20.147 1.00 0.00 H new ATOM 0 HD2 PRO A 51 9.814 6.958 -19.822 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.810 8.301 -18.696 1.00 0.00 H new ATOM 750 N GLU A 52 6.904 9.909 -23.200 1.00 0.00 N ATOM 751 CA GLU A 52 5.887 9.715 -24.242 1.00 0.00 C ATOM 752 C GLU A 52 4.558 9.260 -23.631 1.00 0.00 C ATOM 753 O GLU A 52 3.520 9.890 -23.849 1.00 0.00 O ATOM 754 CB GLU A 52 6.363 8.730 -25.325 1.00 0.00 C ATOM 755 CG GLU A 52 7.613 9.194 -26.067 1.00 0.00 C ATOM 756 CD GLU A 52 8.096 8.187 -27.097 1.00 0.00 C ATOM 757 OE1 GLU A 52 8.806 7.231 -26.715 1.00 0.00 O ATOM 758 OE2 GLU A 52 7.771 8.343 -28.295 1.00 0.00 O ATOM 0 H GLU A 52 7.102 10.890 -23.003 1.00 0.00 H new ATOM 0 HA GLU A 52 5.727 10.678 -24.726 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.563 7.764 -24.862 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.559 8.578 -26.045 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.404 10.142 -26.563 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.409 9.380 -25.346 1.00 0.00 H new ATOM 765 N GLY A 53 4.595 8.178 -22.858 1.00 0.00 N ATOM 766 CA GLY A 53 3.404 7.692 -22.185 1.00 0.00 C ATOM 767 C GLY A 53 2.480 6.936 -23.120 1.00 0.00 C ATOM 768 O GLY A 53 1.666 7.542 -23.823 1.00 0.00 O ATOM 0 H GLY A 53 5.435 7.626 -22.685 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.696 7.040 -21.361 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.866 8.534 -21.750 1.00 0.00 H new ATOM 772 N ASN A 54 2.610 5.611 -23.134 1.00 0.00 N ATOM 773 CA ASN A 54 1.771 4.754 -23.975 1.00 0.00 C ATOM 774 C ASN A 54 0.327 4.744 -23.469 1.00 0.00 C ATOM 775 O ASN A 54 -0.613 4.524 -24.238 1.00 0.00 O ATOM 776 CB ASN A 54 2.341 3.321 -24.032 1.00 0.00 C ATOM 777 CG ASN A 54 2.472 2.652 -22.668 1.00 0.00 C ATOM 778 OD1 ASN A 54 1.686 2.900 -21.755 1.00 0.00 O ATOM 779 ND2 ASN A 54 3.475 1.802 -22.518 1.00 0.00 N ATOM 0 H ASN A 54 3.292 5.104 -22.570 1.00 0.00 H new ATOM 0 HA ASN A 54 1.773 5.162 -24.986 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.698 2.710 -24.665 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.322 3.349 -24.507 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.614 1.330 -21.625 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.109 1.619 -23.296 1.00 0.00 H new ATOM 786 N GLY A 55 0.165 4.980 -22.169 1.00 0.00 N ATOM 787 CA GLY A 55 -1.155 5.053 -21.569 1.00 0.00 C ATOM 788 C GLY A 55 -1.192 4.405 -20.199 1.00 0.00 C ATOM 789 O GLY A 55 -1.783 4.947 -19.263 1.00 0.00 O ATOM 0 H GLY A 55 0.935 5.123 -21.515 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.458 6.097 -21.485 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.878 4.563 -22.222 1.00 0.00 H new ATOM 793 N ARG A 56 -0.539 3.251 -20.075 1.00 0.00 N ATOM 794 CA ARG A 56 -0.535 2.503 -18.821 1.00 0.00 C ATOM 795 C ARG A 56 0.490 3.095 -17.855 1.00 0.00 C ATOM 796 O ARG A 56 1.697 2.889 -18.009 1.00 0.00 O ATOM 797 CB ARG A 56 -0.235 1.016 -19.068 1.00 0.00 C ATOM 798 CG ARG A 56 -1.116 0.364 -20.135 1.00 0.00 C ATOM 799 CD ARG A 56 -2.606 0.595 -19.890 1.00 0.00 C ATOM 800 NE ARG A 56 -3.041 0.141 -18.564 1.00 0.00 N ATOM 801 CZ ARG A 56 -4.060 -0.696 -18.355 1.00 0.00 C ATOM 802 NH1 ARG A 56 -4.698 -1.255 -19.376 1.00 0.00 N ATOM 803 NH2 ARG A 56 -4.435 -0.983 -17.119 1.00 0.00 N ATOM 0 H ARG A 56 -0.006 2.815 -20.828 1.00 0.00 H new ATOM 0 HA ARG A 56 -1.527 2.581 -18.376 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.809 0.912 -19.363 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.357 0.472 -18.131 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.847 0.760 -21.114 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -0.918 -0.708 -20.159 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.827 1.657 -19.996 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.181 0.072 -20.655 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.533 0.487 -17.750 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.411 -1.047 -20.332 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.475 -1.893 -19.204 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.946 -0.565 -16.328 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.213 -1.622 -16.958 1.00 0.00 H new ATOM 817 N SER A 57 0.003 3.842 -16.873 1.00 0.00 N ATOM 818 CA SER A 57 0.872 4.503 -15.907 1.00 0.00 C ATOM 819 C SER A 57 1.309 3.522 -14.815 1.00 0.00 C ATOM 820 O SER A 57 0.523 2.678 -14.378 1.00 0.00 O ATOM 821 CB SER A 57 0.146 5.708 -15.297 1.00 0.00 C ATOM 822 OG SER A 57 -0.321 6.587 -16.315 1.00 0.00 O ATOM 0 H SER A 57 -0.993 4.006 -16.724 1.00 0.00 H new ATOM 0 HA SER A 57 1.768 4.855 -16.419 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.694 5.364 -14.694 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.820 6.244 -14.629 1.00 0.00 H new ATOM 0 HG SER A 57 -0.782 7.348 -15.904 1.00 0.00 H new ATOM 828 N GLY A 58 2.566 3.634 -14.393 1.00 0.00 N ATOM 829 CA GLY A 58 3.109 2.737 -13.387 1.00 0.00 C ATOM 830 C GLY A 58 2.879 3.245 -11.979 1.00 0.00 C ATOM 831 O GLY A 58 2.206 4.258 -11.780 1.00 0.00 O ATOM 0 H GLY A 58 3.223 4.336 -14.733 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.651 1.754 -13.495 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.179 2.611 -13.555 1.00 0.00 H new ATOM 835 N PHE A 59 3.443 2.552 -10.999 1.00 0.00 N ATOM 836 CA PHE A 59 3.284 2.922 -9.597 1.00 0.00 C ATOM 837 C PHE A 59 4.631 2.921 -8.887 1.00 0.00 C ATOM 838 O PHE A 59 5.469 2.049 -9.114 1.00 0.00 O ATOM 839 CB PHE A 59 2.312 1.964 -8.893 1.00 0.00 C ATOM 840 CG PHE A 59 0.889 2.075 -9.384 1.00 0.00 C ATOM 841 CD1 PHE A 59 0.458 1.342 -10.480 1.00 0.00 C ATOM 842 CD2 PHE A 59 -0.012 2.920 -8.753 1.00 0.00 C ATOM 843 CE1 PHE A 59 -0.843 1.449 -10.935 1.00 0.00 C ATOM 844 CE2 PHE A 59 -1.313 3.031 -9.206 1.00 0.00 C ATOM 845 CZ PHE A 59 -1.727 2.294 -10.298 1.00 0.00 C ATOM 0 H PHE A 59 4.019 1.724 -11.150 1.00 0.00 H new ATOM 0 HA PHE A 59 2.870 3.930 -9.555 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.658 0.940 -9.036 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.334 2.161 -7.821 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.147 0.680 -10.984 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.307 3.498 -7.898 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.167 0.871 -11.788 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.005 3.693 -8.707 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.743 2.379 -10.653 1.00 0.00 H new ATOM 855 N LEU A 60 4.837 3.914 -8.037 1.00 0.00 N ATOM 856 CA LEU A 60 6.046 4.015 -7.236 1.00 0.00 C ATOM 857 C LEU A 60 5.658 3.990 -5.764 1.00 0.00 C ATOM 858 O LEU A 60 5.002 4.916 -5.274 1.00 0.00 O ATOM 859 CB LEU A 60 6.804 5.316 -7.578 1.00 0.00 C ATOM 860 CG LEU A 60 8.323 5.329 -7.285 1.00 0.00 C ATOM 861 CD1 LEU A 60 8.953 6.635 -7.764 1.00 0.00 C ATOM 862 CD2 LEU A 60 8.620 5.114 -5.802 1.00 0.00 C ATOM 0 H LEU A 60 4.172 4.672 -7.883 1.00 0.00 H new ATOM 0 HA LEU A 60 6.707 3.175 -7.452 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.659 5.526 -8.638 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.343 6.134 -7.025 1.00 0.00 H new ATOM 0 HG LEU A 60 8.764 4.498 -7.835 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.021 6.624 -7.549 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.800 6.740 -8.838 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.487 7.474 -7.248 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.698 5.130 -5.641 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.154 5.908 -5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.221 4.150 -5.487 1.00 0.00 H new ATOM 874 N ILE A 61 6.027 2.918 -5.072 1.00 0.00 N ATOM 875 CA ILE A 61 5.791 2.822 -3.639 1.00 0.00 C ATOM 876 C ILE A 61 6.810 3.695 -2.910 1.00 0.00 C ATOM 877 O ILE A 61 7.937 3.267 -2.646 1.00 0.00 O ATOM 878 CB ILE A 61 5.877 1.360 -3.131 1.00 0.00 C ATOM 879 CG1 ILE A 61 4.925 0.453 -3.936 1.00 0.00 C ATOM 880 CG2 ILE A 61 5.554 1.285 -1.634 1.00 0.00 C ATOM 881 CD1 ILE A 61 3.465 0.850 -3.843 1.00 0.00 C ATOM 0 H ILE A 61 6.490 2.106 -5.480 1.00 0.00 H new ATOM 0 HA ILE A 61 4.779 3.171 -3.434 1.00 0.00 H new ATOM 0 HB ILE A 61 6.898 1.007 -3.277 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.228 0.465 -4.983 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.034 -0.573 -3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.620 0.250 -1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.267 1.893 -1.077 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.545 1.659 -1.460 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.862 0.163 -4.437 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.142 0.809 -2.803 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.339 1.864 -4.223 1.00 0.00 H new ATOM 893 N HIS A 62 6.418 4.936 -2.648 1.00 0.00 N ATOM 894 CA HIS A 62 7.299 5.926 -2.041 1.00 0.00 C ATOM 895 C HIS A 62 6.923 6.109 -0.569 1.00 0.00 C ATOM 896 O HIS A 62 6.021 6.878 -0.239 1.00 0.00 O ATOM 897 CB HIS A 62 7.174 7.257 -2.807 1.00 0.00 C ATOM 898 CG HIS A 62 8.408 8.107 -2.784 1.00 0.00 C ATOM 899 ND1 HIS A 62 8.811 8.865 -1.707 1.00 0.00 N ATOM 900 CD2 HIS A 62 9.331 8.323 -3.757 1.00 0.00 C ATOM 901 CE1 HIS A 62 9.936 9.505 -2.053 1.00 0.00 C ATOM 902 NE2 HIS A 62 10.294 9.210 -3.288 1.00 0.00 N ATOM 0 H HIS A 62 5.481 5.284 -2.850 1.00 0.00 H new ATOM 0 HA HIS A 62 8.334 5.588 -2.095 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.916 7.042 -3.844 1.00 0.00 H new ATOM 0 HB3 HIS A 62 6.347 7.828 -2.385 1.00 0.00 H new ATOM 0 HD1 HIS A 62 8.337 8.928 -0.806 1.00 0.00 H new ATOM 0 HD2 HIS A 62 9.319 7.876 -4.740 1.00 0.00 H new ATOM 0 HE1 HIS A 62 10.480 10.176 -1.404 1.00 0.00 H new ATOM 910 N GLY A 63 7.592 5.368 0.307 1.00 0.00 N ATOM 911 CA GLY A 63 7.257 5.387 1.723 1.00 0.00 C ATOM 912 C GLY A 63 8.221 6.227 2.542 1.00 0.00 C ATOM 913 O GLY A 63 9.392 5.871 2.683 1.00 0.00 O ATOM 0 H GLY A 63 8.366 4.750 0.062 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.246 5.776 1.848 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.255 4.366 2.106 1.00 0.00 H new ATOM 917 N GLU A 64 7.726 7.337 3.080 1.00 0.00 N ATOM 918 CA GLU A 64 8.530 8.220 3.928 1.00 0.00 C ATOM 919 C GLU A 64 8.357 7.861 5.405 1.00 0.00 C ATOM 920 O GLU A 64 7.405 7.175 5.778 1.00 0.00 O ATOM 921 CB GLU A 64 8.107 9.683 3.732 1.00 0.00 C ATOM 922 CG GLU A 64 8.238 10.196 2.306 1.00 0.00 C ATOM 923 CD GLU A 64 9.685 10.359 1.887 1.00 0.00 C ATOM 924 OE1 GLU A 64 10.382 11.217 2.473 1.00 0.00 O ATOM 925 OE2 GLU A 64 10.129 9.637 0.980 1.00 0.00 O ATOM 0 H GLU A 64 6.765 7.651 2.944 1.00 0.00 H new ATOM 0 HA GLU A 64 9.573 8.092 3.640 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.070 9.793 4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.710 10.312 4.387 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.740 9.505 1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.726 11.154 2.218 1.00 0.00 H new ATOM 932 N ARG A 65 9.279 8.322 6.245 1.00 0.00 N ATOM 933 CA ARG A 65 9.086 8.273 7.694 1.00 0.00 C ATOM 934 C ARG A 65 8.236 9.475 8.116 1.00 0.00 C ATOM 935 O ARG A 65 8.252 10.507 7.440 1.00 0.00 O ATOM 936 CB ARG A 65 10.437 8.279 8.436 1.00 0.00 C ATOM 937 CG ARG A 65 10.303 8.294 9.960 1.00 0.00 C ATOM 938 CD ARG A 65 11.654 8.283 10.675 1.00 0.00 C ATOM 939 NE ARG A 65 12.306 6.967 10.640 1.00 0.00 N ATOM 940 CZ ARG A 65 12.714 6.306 11.733 1.00 0.00 C ATOM 941 NH1 ARG A 65 12.511 6.814 12.943 1.00 0.00 N ATOM 942 NH2 ARG A 65 13.324 5.137 11.610 1.00 0.00 N ATOM 0 H ARG A 65 10.165 8.733 5.950 1.00 0.00 H new ATOM 0 HA ARG A 65 8.575 7.347 7.957 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.008 7.399 8.139 1.00 0.00 H new ATOM 0 HB3 ARG A 65 11.010 9.152 8.122 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.745 9.180 10.262 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.722 7.428 10.277 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.310 9.021 10.213 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.513 8.586 11.712 1.00 0.00 H new ATOM 0 HE ARG A 65 12.457 6.530 9.731 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.041 7.714 13.046 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.825 6.305 13.769 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.483 4.740 10.684 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.635 4.634 12.441 1.00 0.00 H new ATOM 956 N GLN A 66 7.481 9.337 9.208 1.00 0.00 N ATOM 957 CA GLN A 66 6.624 10.422 9.693 1.00 0.00 C ATOM 958 C GLN A 66 7.454 11.665 10.014 1.00 0.00 C ATOM 959 O GLN A 66 7.913 11.845 11.144 1.00 0.00 O ATOM 960 CB GLN A 66 5.817 9.983 10.921 1.00 0.00 C ATOM 961 CG GLN A 66 4.851 8.836 10.646 1.00 0.00 C ATOM 962 CD GLN A 66 3.880 9.138 9.515 1.00 0.00 C ATOM 963 OE1 GLN A 66 2.800 9.684 9.730 1.00 0.00 O ATOM 964 NE2 GLN A 66 4.257 8.775 8.298 1.00 0.00 N ATOM 0 H GLN A 66 7.445 8.488 9.772 1.00 0.00 H new ATOM 0 HA GLN A 66 5.921 10.672 8.899 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.507 9.683 11.709 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.254 10.837 11.298 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.420 7.940 10.400 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.288 8.617 11.553 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.161 8.324 8.157 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.643 8.947 7.502 1.00 0.00 H new ATOM 973 N LYS A 67 7.649 12.493 8.994 1.00 0.00 N ATOM 974 CA LYS A 67 8.468 13.702 9.076 1.00 0.00 C ATOM 975 C LYS A 67 8.590 14.314 7.684 1.00 0.00 C ATOM 976 O LYS A 67 8.888 15.500 7.539 1.00 0.00 O ATOM 977 CB LYS A 67 9.867 13.395 9.641 1.00 0.00 C ATOM 978 CG LYS A 67 10.768 14.623 9.773 1.00 0.00 C ATOM 979 CD LYS A 67 12.077 14.292 10.482 1.00 0.00 C ATOM 980 CE LYS A 67 12.997 15.505 10.576 1.00 0.00 C ATOM 981 NZ LYS A 67 14.208 15.212 11.385 1.00 0.00 N ATOM 0 H LYS A 67 7.238 12.343 8.073 1.00 0.00 H new ATOM 0 HA LYS A 67 7.985 14.406 9.754 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.758 12.930 10.621 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.356 12.666 8.995 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.983 15.024 8.783 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.242 15.402 10.326 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.863 13.921 11.484 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.587 13.491 9.947 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.294 15.815 9.574 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.455 16.340 11.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.810 16.059 11.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.925 14.940 12.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.738 14.432 10.947 1.00 0.00 H new ATOM 995 N ASP A 68 8.362 13.473 6.666 1.00 0.00 N ATOM 996 CA ASP A 68 8.351 13.898 5.264 1.00 0.00 C ATOM 997 C ASP A 68 9.766 14.230 4.798 1.00 0.00 C ATOM 998 O ASP A 68 10.007 15.295 4.217 1.00 0.00 O ATOM 999 CB ASP A 68 7.414 15.110 5.052 1.00 0.00 C ATOM 1000 CG ASP A 68 5.977 14.873 5.511 1.00 0.00 C ATOM 1001 OD1 ASP A 68 5.622 13.717 5.848 1.00 0.00 O ATOM 1002 OD2 ASP A 68 5.192 15.847 5.535 1.00 0.00 O ATOM 0 H ASP A 68 8.180 12.478 6.794 1.00 0.00 H new ATOM 0 HA ASP A 68 7.969 13.071 4.666 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.819 15.968 5.589 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.408 15.371 3.994 1.00 0.00 H new ATOM 1007 N LYS A 69 10.698 13.312 5.062 1.00 0.00 N ATOM 1008 CA LYS A 69 12.102 13.501 4.691 1.00 0.00 C ATOM 1009 C LYS A 69 12.913 12.242 5.032 1.00 0.00 C ATOM 1010 O LYS A 69 13.843 12.291 5.839 1.00 0.00 O ATOM 1011 CB LYS A 69 12.672 14.744 5.414 1.00 0.00 C ATOM 1012 CG LYS A 69 13.883 15.397 4.739 1.00 0.00 C ATOM 1013 CD LYS A 69 15.193 14.659 5.007 1.00 0.00 C ATOM 1014 CE LYS A 69 16.401 15.441 4.504 1.00 0.00 C ATOM 1015 NZ LYS A 69 17.678 14.711 4.730 1.00 0.00 N ATOM 0 H LYS A 69 10.505 12.428 5.533 1.00 0.00 H new ATOM 0 HA LYS A 69 12.173 13.667 3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.880 15.488 5.501 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.953 14.457 6.428 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.712 15.440 3.663 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.975 16.425 5.089 1.00 0.00 H new ATOM 0 HD2 LYS A 69 15.296 14.481 6.077 1.00 0.00 H new ATOM 0 HD3 LYS A 69 15.165 13.683 4.522 1.00 0.00 H new ATOM 0 HE2 LYS A 69 16.283 15.642 3.439 1.00 0.00 H new ATOM 0 HE3 LYS A 69 16.442 16.406 5.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 18.471 15.280 4.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.805 14.541 5.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 17.651 13.801 4.228 1.00 0.00 H new ATOM 1029 N LEU A 70 12.537 11.112 4.429 1.00 0.00 N ATOM 1030 CA LEU A 70 13.250 9.841 4.622 1.00 0.00 C ATOM 1031 C LEU A 70 12.521 8.693 3.929 1.00 0.00 C ATOM 1032 O LEU A 70 11.490 8.226 4.415 1.00 0.00 O ATOM 1033 CB LEU A 70 13.418 9.502 6.116 1.00 0.00 C ATOM 1034 CG LEU A 70 14.150 8.177 6.413 1.00 0.00 C ATOM 1035 CD1 LEU A 70 15.546 8.171 5.791 1.00 0.00 C ATOM 1036 CD2 LEU A 70 14.223 7.929 7.916 1.00 0.00 C ATOM 0 H LEU A 70 11.738 11.049 3.798 1.00 0.00 H new ATOM 0 HA LEU A 70 14.238 9.965 4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.963 10.315 6.597 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.431 9.464 6.576 1.00 0.00 H new ATOM 0 HG LEU A 70 13.580 7.366 5.961 1.00 0.00 H new ATOM 0 HD11 LEU A 70 16.040 7.226 6.015 1.00 0.00 H new ATOM 0 HD12 LEU A 70 15.463 8.290 4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 70 16.131 8.993 6.203 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.743 6.990 8.105 1.00 0.00 H new ATOM 0 HD22 LEU A 70 14.764 8.746 8.394 1.00 0.00 H new ATOM 0 HD23 LEU A 70 13.214 7.874 8.325 1.00 0.00 H new ATOM 1048 N VAL A 71 13.067 8.244 2.802 1.00 0.00 N ATOM 1049 CA VAL A 71 12.540 7.082 2.090 1.00 0.00 C ATOM 1050 C VAL A 71 12.824 5.793 2.875 1.00 0.00 C ATOM 1051 O VAL A 71 13.915 5.225 2.797 1.00 0.00 O ATOM 1052 CB VAL A 71 13.136 6.967 0.659 1.00 0.00 C ATOM 1053 CG1 VAL A 71 12.493 7.980 -0.284 1.00 0.00 C ATOM 1054 CG2 VAL A 71 14.650 7.164 0.690 1.00 0.00 C ATOM 0 H VAL A 71 13.881 8.671 2.359 1.00 0.00 H new ATOM 0 HA VAL A 71 11.462 7.219 2.000 1.00 0.00 H new ATOM 0 HB VAL A 71 12.920 5.966 0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.928 7.878 -1.278 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.420 7.798 -0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.672 8.989 0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 71 15.049 7.080 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.880 8.152 1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 71 15.103 6.401 1.323 1.00 0.00 H new ATOM 1064 N VAL A 72 11.842 5.355 3.655 1.00 0.00 N ATOM 1065 CA VAL A 72 11.972 4.135 4.454 1.00 0.00 C ATOM 1066 C VAL A 72 11.570 2.905 3.641 1.00 0.00 C ATOM 1067 O VAL A 72 11.759 1.768 4.080 1.00 0.00 O ATOM 1068 CB VAL A 72 11.116 4.204 5.743 1.00 0.00 C ATOM 1069 CG1 VAL A 72 11.526 5.399 6.598 1.00 0.00 C ATOM 1070 CG2 VAL A 72 9.625 4.260 5.414 1.00 0.00 C ATOM 0 H VAL A 72 10.943 5.826 3.753 1.00 0.00 H new ATOM 0 HA VAL A 72 13.021 4.050 4.739 1.00 0.00 H new ATOM 0 HB VAL A 72 11.297 3.294 6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.913 5.429 7.499 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.576 5.304 6.877 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.383 6.319 6.030 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.050 4.308 6.339 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.418 5.145 4.812 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.342 3.367 4.856 1.00 0.00 H new ATOM 1080 N LEU A 73 11.008 3.147 2.460 1.00 0.00 N ATOM 1081 CA LEU A 73 10.615 2.075 1.552 1.00 0.00 C ATOM 1082 C LEU A 73 10.488 2.643 0.142 1.00 0.00 C ATOM 1083 O LEU A 73 9.715 3.571 -0.090 1.00 0.00 O ATOM 1084 CB LEU A 73 9.281 1.442 2.013 1.00 0.00 C ATOM 1085 CG LEU A 73 8.960 0.026 1.473 1.00 0.00 C ATOM 1086 CD1 LEU A 73 8.715 0.029 -0.034 1.00 0.00 C ATOM 1087 CD2 LEU A 73 10.075 -0.953 1.836 1.00 0.00 C ATOM 0 H LEU A 73 10.814 4.084 2.108 1.00 0.00 H new ATOM 0 HA LEU A 73 11.373 1.292 1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.283 1.398 3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.469 2.109 1.722 1.00 0.00 H new ATOM 0 HG LEU A 73 8.036 -0.301 1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.494 -0.984 -0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.871 0.680 -0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.605 0.394 -0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.831 -1.942 1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.014 -0.613 1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.176 -1.003 2.920 1.00 0.00 H new ATOM 1099 N GLU A 74 11.262 2.094 -0.784 1.00 0.00 N ATOM 1100 CA GLU A 74 11.234 2.528 -2.175 1.00 0.00 C ATOM 1101 C GLU A 74 11.065 1.311 -3.079 1.00 0.00 C ATOM 1102 O GLU A 74 11.864 0.372 -3.027 1.00 0.00 O ATOM 1103 CB GLU A 74 12.527 3.300 -2.504 1.00 0.00 C ATOM 1104 CG GLU A 74 12.564 3.956 -3.889 1.00 0.00 C ATOM 1105 CD GLU A 74 12.858 2.978 -5.022 1.00 0.00 C ATOM 1106 OE1 GLU A 74 13.977 2.415 -5.052 1.00 0.00 O ATOM 1107 OE2 GLU A 74 11.982 2.766 -5.887 1.00 0.00 O ATOM 0 H GLU A 74 11.923 1.340 -0.595 1.00 0.00 H new ATOM 0 HA GLU A 74 10.391 3.199 -2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.671 4.074 -1.750 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.371 2.615 -2.422 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.606 4.440 -4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.322 4.739 -3.891 1.00 0.00 H new ATOM 1114 N CYS A 75 10.011 1.322 -3.886 1.00 0.00 N ATOM 1115 CA CYS A 75 9.744 0.234 -4.818 1.00 0.00 C ATOM 1116 C CYS A 75 9.032 0.758 -6.066 1.00 0.00 C ATOM 1117 O CYS A 75 7.801 0.820 -6.121 1.00 0.00 O ATOM 1118 CB CYS A 75 8.916 -0.867 -4.137 1.00 0.00 C ATOM 1119 SG CYS A 75 8.479 -2.251 -5.217 1.00 0.00 S ATOM 0 H CYS A 75 9.325 2.076 -3.913 1.00 0.00 H new ATOM 0 HA CYS A 75 10.696 -0.198 -5.127 1.00 0.00 H new ATOM 0 HB2 CYS A 75 9.476 -1.251 -3.284 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.000 -0.425 -3.744 1.00 0.00 H new ATOM 0 HG CYS A 75 7.785 -3.122 -4.547 1.00 0.00 H new ATOM 1125 N TYR A 76 9.828 1.184 -7.044 1.00 0.00 N ATOM 1126 CA TYR A 76 9.312 1.615 -8.339 1.00 0.00 C ATOM 1127 C TYR A 76 8.942 0.400 -9.189 1.00 0.00 C ATOM 1128 O TYR A 76 9.779 -0.471 -9.434 1.00 0.00 O ATOM 1129 CB TYR A 76 10.363 2.470 -9.069 1.00 0.00 C ATOM 1130 CG TYR A 76 9.956 2.900 -10.472 1.00 0.00 C ATOM 1131 CD1 TYR A 76 9.249 4.079 -10.685 1.00 0.00 C ATOM 1132 CD2 TYR A 76 10.284 2.127 -11.584 1.00 0.00 C ATOM 1133 CE1 TYR A 76 8.882 4.471 -11.960 1.00 0.00 C ATOM 1134 CE2 TYR A 76 9.920 2.513 -12.858 1.00 0.00 C ATOM 1135 CZ TYR A 76 9.219 3.686 -13.041 1.00 0.00 C ATOM 1136 OH TYR A 76 8.851 4.072 -14.311 1.00 0.00 O ATOM 0 H TYR A 76 10.843 1.240 -6.961 1.00 0.00 H new ATOM 0 HA TYR A 76 8.418 2.217 -8.178 1.00 0.00 H new ATOM 0 HB2 TYR A 76 10.567 3.360 -8.474 1.00 0.00 H new ATOM 0 HB3 TYR A 76 11.294 1.907 -9.130 1.00 0.00 H new ATOM 0 HD1 TYR A 76 8.982 4.698 -9.841 1.00 0.00 H new ATOM 0 HD2 TYR A 76 10.834 1.208 -11.446 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.333 5.389 -12.108 1.00 0.00 H new ATOM 0 HE2 TYR A 76 10.183 1.900 -13.707 1.00 0.00 H new ATOM 0 HH TYR A 76 9.167 3.408 -14.959 1.00 0.00 H new ATOM 1146 N VAL A 77 7.684 0.348 -9.622 1.00 0.00 N ATOM 1147 CA VAL A 77 7.200 -0.718 -10.496 1.00 0.00 C ATOM 1148 C VAL A 77 6.388 -0.124 -11.650 1.00 0.00 C ATOM 1149 O VAL A 77 5.305 0.427 -11.450 1.00 0.00 O ATOM 1150 CB VAL A 77 6.345 -1.760 -9.720 1.00 0.00 C ATOM 1151 CG1 VAL A 77 7.215 -2.562 -8.752 1.00 0.00 C ATOM 1152 CG2 VAL A 77 5.196 -1.083 -8.969 1.00 0.00 C ATOM 0 H VAL A 77 6.975 1.040 -9.378 1.00 0.00 H new ATOM 0 HA VAL A 77 8.071 -1.238 -10.895 1.00 0.00 H new ATOM 0 HB VAL A 77 5.915 -2.446 -10.450 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.596 -3.285 -8.220 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.990 -3.088 -9.310 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.680 -1.886 -8.035 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.616 -1.836 -8.436 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.601 -0.365 -8.256 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.552 -0.565 -9.680 1.00 0.00 H new ATOM 1162 N ARG A 78 6.930 -0.221 -12.857 1.00 0.00 N ATOM 1163 CA ARG A 78 6.280 0.338 -14.043 1.00 0.00 C ATOM 1164 C ARG A 78 5.198 -0.607 -14.565 1.00 0.00 C ATOM 1165 O ARG A 78 4.323 -0.202 -15.334 1.00 0.00 O ATOM 1166 CB ARG A 78 7.323 0.613 -15.139 1.00 0.00 C ATOM 1167 CG ARG A 78 8.019 -0.641 -15.664 1.00 0.00 C ATOM 1168 CD ARG A 78 9.198 -0.302 -16.571 1.00 0.00 C ATOM 1169 NE ARG A 78 8.790 0.454 -17.757 1.00 0.00 N ATOM 1170 CZ ARG A 78 9.641 0.916 -18.675 1.00 0.00 C ATOM 1171 NH1 ARG A 78 10.945 0.695 -18.549 1.00 0.00 N ATOM 1172 NH2 ARG A 78 9.184 1.591 -19.723 1.00 0.00 N ATOM 0 H ARG A 78 7.820 -0.682 -13.044 1.00 0.00 H new ATOM 0 HA ARG A 78 5.805 1.279 -13.764 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.835 1.120 -15.971 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.076 1.296 -14.746 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.369 -1.241 -14.824 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.302 -1.251 -16.214 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.931 0.277 -16.009 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.690 -1.223 -16.882 1.00 0.00 H new ATOM 0 HE ARG A 78 7.796 0.638 -17.889 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.298 0.171 -17.749 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.593 1.050 -19.253 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.183 1.756 -19.826 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.834 1.944 -20.425 1.00 0.00 H new ATOM 1186 N LYS A 79 5.261 -1.866 -14.131 1.00 0.00 N ATOM 1187 CA LYS A 79 4.327 -2.897 -14.587 1.00 0.00 C ATOM 1188 C LYS A 79 4.517 -4.182 -13.780 1.00 0.00 C ATOM 1189 O LYS A 79 5.610 -4.439 -13.271 1.00 0.00 O ATOM 1190 CB LYS A 79 4.545 -3.185 -16.084 1.00 0.00 C ATOM 1191 CG LYS A 79 3.629 -4.267 -16.657 1.00 0.00 C ATOM 1192 CD LYS A 79 3.998 -4.610 -18.096 1.00 0.00 C ATOM 1193 CE LYS A 79 3.155 -5.758 -18.639 1.00 0.00 C ATOM 1194 NZ LYS A 79 3.570 -6.150 -20.011 1.00 0.00 N ATOM 0 H LYS A 79 5.954 -2.198 -13.460 1.00 0.00 H new ATOM 0 HA LYS A 79 3.310 -2.534 -14.437 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.394 -2.263 -16.645 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.582 -3.485 -16.237 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.694 -5.164 -16.040 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.594 -3.927 -16.617 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.863 -3.730 -18.725 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.053 -4.879 -18.146 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.241 -6.618 -17.974 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.105 -5.465 -18.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.972 -6.933 -20.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.464 -5.337 -20.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.565 -6.454 -19.999 1.00 0.00 H new ATOM 1208 N ASP A 80 3.443 -4.969 -13.667 1.00 0.00 N ATOM 1209 CA ASP A 80 3.483 -6.296 -13.040 1.00 0.00 C ATOM 1210 C ASP A 80 3.655 -6.214 -11.520 1.00 0.00 C ATOM 1211 O ASP A 80 4.746 -5.929 -11.019 1.00 0.00 O ATOM 1212 CB ASP A 80 4.592 -7.164 -13.662 1.00 0.00 C ATOM 1213 CG ASP A 80 4.753 -8.505 -12.962 1.00 0.00 C ATOM 1214 OD1 ASP A 80 3.862 -9.369 -13.103 1.00 0.00 O ATOM 1215 OD2 ASP A 80 5.779 -8.711 -12.277 1.00 0.00 O ATOM 0 H ASP A 80 2.519 -4.704 -14.008 1.00 0.00 H new ATOM 0 HA ASP A 80 2.519 -6.767 -13.233 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.367 -7.334 -14.715 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.537 -6.622 -13.621 1.00 0.00 H new ATOM 1220 N LEU A 81 2.561 -6.473 -10.802 1.00 0.00 N ATOM 1221 CA LEU A 81 2.550 -6.502 -9.340 1.00 0.00 C ATOM 1222 C LEU A 81 1.135 -6.845 -8.867 1.00 0.00 C ATOM 1223 O LEU A 81 0.164 -6.234 -9.316 1.00 0.00 O ATOM 1224 CB LEU A 81 3.004 -5.140 -8.757 1.00 0.00 C ATOM 1225 CG LEU A 81 3.492 -5.154 -7.287 1.00 0.00 C ATOM 1226 CD1 LEU A 81 4.105 -3.809 -6.908 1.00 0.00 C ATOM 1227 CD2 LEU A 81 2.363 -5.503 -6.319 1.00 0.00 C ATOM 0 H LEU A 81 1.652 -6.670 -11.222 1.00 0.00 H new ATOM 0 HA LEU A 81 3.250 -7.259 -8.987 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.808 -4.751 -9.381 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.173 -4.440 -8.835 1.00 0.00 H new ATOM 0 HG LEU A 81 4.255 -5.928 -7.209 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.441 -3.841 -5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.954 -3.600 -7.558 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.358 -3.023 -7.023 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.746 -5.502 -5.298 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.566 -4.765 -6.408 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.971 -6.491 -6.559 1.00 0.00 H new ATOM 1239 N VAL A 82 1.023 -7.835 -7.983 1.00 0.00 N ATOM 1240 CA VAL A 82 -0.267 -8.232 -7.415 1.00 0.00 C ATOM 1241 C VAL A 82 -0.188 -8.264 -5.889 1.00 0.00 C ATOM 1242 O VAL A 82 0.732 -8.854 -5.321 1.00 0.00 O ATOM 1243 CB VAL A 82 -0.720 -9.625 -7.934 1.00 0.00 C ATOM 1244 CG1 VAL A 82 -2.060 -10.034 -7.318 1.00 0.00 C ATOM 1245 CG2 VAL A 82 -0.803 -9.632 -9.460 1.00 0.00 C ATOM 0 H VAL A 82 1.815 -8.381 -7.642 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.002 -7.492 -7.732 1.00 0.00 H new ATOM 0 HB VAL A 82 0.028 -10.356 -7.627 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.352 -11.012 -7.699 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.963 -10.081 -6.233 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.821 -9.300 -7.582 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.122 -10.616 -9.803 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.523 -8.883 -9.789 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.177 -9.402 -9.879 1.00 0.00 H new ATOM 1255 N TYR A 83 -1.147 -7.615 -5.236 1.00 0.00 N ATOM 1256 CA TYR A 83 -1.222 -7.594 -3.776 1.00 0.00 C ATOM 1257 C TYR A 83 -1.917 -8.846 -3.245 1.00 0.00 C ATOM 1258 O TYR A 83 -2.654 -9.523 -3.966 1.00 0.00 O ATOM 1259 CB TYR A 83 -1.966 -6.339 -3.287 1.00 0.00 C ATOM 1260 CG TYR A 83 -1.104 -5.091 -3.204 1.00 0.00 C ATOM 1261 CD1 TYR A 83 -0.386 -4.631 -4.303 1.00 0.00 C ATOM 1262 CD2 TYR A 83 -1.020 -4.366 -2.019 1.00 0.00 C ATOM 1263 CE1 TYR A 83 0.395 -3.492 -4.218 1.00 0.00 C ATOM 1264 CE2 TYR A 83 -0.246 -3.229 -1.930 1.00 0.00 C ATOM 1265 CZ TYR A 83 0.461 -2.794 -3.031 1.00 0.00 C ATOM 1266 OH TYR A 83 1.233 -1.659 -2.944 1.00 0.00 O ATOM 0 H TYR A 83 -1.890 -7.092 -5.699 1.00 0.00 H new ATOM 0 HA TYR A 83 -0.202 -7.573 -3.393 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.803 -6.144 -3.957 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -2.387 -6.542 -2.302 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -0.439 -5.171 -5.237 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -1.572 -4.701 -1.153 1.00 0.00 H new ATOM 0 HE1 TYR A 83 0.951 -3.151 -5.079 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -0.193 -2.681 -1.001 1.00 0.00 H new ATOM 0 HH TYR A 83 1.168 -1.288 -2.039 1.00 0.00 H new ATOM 1276 N THR A 84 -1.674 -9.138 -1.978 1.00 0.00 N ATOM 1277 CA THR A 84 -2.286 -10.263 -1.288 1.00 0.00 C ATOM 1278 C THR A 84 -2.428 -9.930 0.198 1.00 0.00 C ATOM 1279 O THR A 84 -1.507 -9.383 0.808 1.00 0.00 O ATOM 1280 CB THR A 84 -1.442 -11.551 -1.453 1.00 0.00 C ATOM 1281 OG1 THR A 84 -1.285 -11.864 -2.850 1.00 0.00 O ATOM 1282 CG2 THR A 84 -2.091 -12.734 -0.733 1.00 0.00 C ATOM 0 H THR A 84 -1.039 -8.595 -1.393 1.00 0.00 H new ATOM 0 HA THR A 84 -3.267 -10.442 -1.727 1.00 0.00 H new ATOM 0 HB THR A 84 -0.464 -11.370 -1.007 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.749 -12.679 -2.944 1.00 0.00 H new ATOM 0 HG21 THR A 84 -1.476 -13.624 -0.867 1.00 0.00 H new ATOM 0 HG22 THR A 84 -2.178 -12.510 0.330 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.083 -12.913 -1.148 1.00 0.00 H new ATOM 1290 N LYS A 85 -3.584 -10.242 0.773 1.00 0.00 N ATOM 1291 CA LYS A 85 -3.841 -9.943 2.178 1.00 0.00 C ATOM 1292 C LYS A 85 -3.777 -11.219 3.015 1.00 0.00 C ATOM 1293 O LYS A 85 -4.439 -12.212 2.704 1.00 0.00 O ATOM 1294 CB LYS A 85 -5.208 -9.251 2.363 1.00 0.00 C ATOM 1295 CG LYS A 85 -6.416 -10.054 1.860 1.00 0.00 C ATOM 1296 CD LYS A 85 -6.641 -9.903 0.356 1.00 0.00 C ATOM 1297 CE LYS A 85 -7.026 -8.476 -0.016 1.00 0.00 C ATOM 1298 NZ LYS A 85 -8.253 -8.028 0.699 1.00 0.00 N ATOM 0 H LYS A 85 -4.357 -10.701 0.290 1.00 0.00 H new ATOM 0 HA LYS A 85 -3.067 -9.256 2.520 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.349 -9.037 3.422 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.186 -8.293 1.844 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.271 -11.108 2.097 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.310 -9.728 2.391 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.734 -10.186 -0.178 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.426 -10.587 0.035 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.201 -7.804 0.222 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.189 -8.413 -1.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.911 -7.594 0.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.710 -8.846 1.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.996 -7.330 1.426 1.00 0.00 H new ATOM 1312 N ALA A 86 -2.960 -11.194 4.062 1.00 0.00 N ATOM 1313 CA ALA A 86 -2.870 -12.312 4.998 1.00 0.00 C ATOM 1314 C ALA A 86 -3.722 -12.017 6.225 1.00 0.00 C ATOM 1315 O ALA A 86 -4.467 -12.871 6.708 1.00 0.00 O ATOM 1316 CB ALA A 86 -1.421 -12.564 5.396 1.00 0.00 C ATOM 0 H ALA A 86 -2.348 -10.409 4.286 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.245 -13.214 4.514 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.375 -13.400 6.093 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -0.835 -12.800 4.507 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.014 -11.672 5.872 1.00 0.00 H new ATOM 1322 N ASN A 87 -3.583 -10.802 6.739 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.406 -10.303 7.842 1.00 0.00 C ATOM 1324 C ASN A 87 -5.057 -8.993 7.407 1.00 0.00 C ATOM 1325 O ASN A 87 -4.503 -8.282 6.569 1.00 0.00 O ATOM 1326 CB ASN A 87 -3.560 -10.060 9.111 1.00 0.00 C ATOM 1327 CG ASN A 87 -3.252 -11.312 9.930 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -3.123 -12.458 9.284 1.00 0.00 O flip ATOM 1329 ND2 ASN A 87 -3.118 -11.237 11.152 1.00 0.00 N flip ATOM 0 H ASN A 87 -2.894 -10.129 6.404 1.00 0.00 H new ATOM 0 HA ASN A 87 -5.163 -11.050 8.082 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.619 -9.595 8.819 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -4.084 -9.347 9.748 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.224 -10.338 11.622 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -2.901 -12.074 11.694 1.00 0.00 H new ATOM 1336 N PRO A 88 -6.237 -8.650 7.958 1.00 0.00 N ATOM 1337 CA PRO A 88 -6.917 -7.383 7.643 1.00 0.00 C ATOM 1338 C PRO A 88 -6.017 -6.163 7.873 1.00 0.00 C ATOM 1339 O PRO A 88 -6.210 -5.115 7.258 1.00 0.00 O ATOM 1340 CB PRO A 88 -8.110 -7.369 8.608 1.00 0.00 C ATOM 1341 CG PRO A 88 -8.369 -8.808 8.902 1.00 0.00 C ATOM 1342 CD PRO A 88 -7.017 -9.474 8.901 1.00 0.00 C ATOM 0 HA PRO A 88 -7.204 -7.324 6.593 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.879 -6.814 9.517 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -8.980 -6.893 8.156 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.864 -8.928 9.866 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.024 -9.250 8.151 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.570 -9.480 9.895 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.079 -10.512 8.573 1.00 0.00 H new ATOM 1350 N THR A 89 -5.041 -6.307 8.769 1.00 0.00 N ATOM 1351 CA THR A 89 -4.097 -5.234 9.069 1.00 0.00 C ATOM 1352 C THR A 89 -2.675 -5.583 8.610 1.00 0.00 C ATOM 1353 O THR A 89 -1.717 -4.890 8.948 1.00 0.00 O ATOM 1354 CB THR A 89 -4.103 -4.909 10.581 1.00 0.00 C ATOM 1355 OG1 THR A 89 -4.056 -6.124 11.346 1.00 0.00 O ATOM 1356 CG2 THR A 89 -5.346 -4.110 10.967 1.00 0.00 C ATOM 0 H THR A 89 -4.884 -7.162 9.302 1.00 0.00 H new ATOM 0 HA THR A 89 -4.421 -4.353 8.515 1.00 0.00 H new ATOM 0 HB THR A 89 -3.222 -4.305 10.799 1.00 0.00 H new ATOM 0 HG1 THR A 89 -4.058 -5.909 12.302 1.00 0.00 H new ATOM 0 HG21 THR A 89 -5.324 -3.896 12.036 1.00 0.00 H new ATOM 0 HG22 THR A 89 -5.364 -3.174 10.409 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.239 -4.690 10.732 1.00 0.00 H new ATOM 1364 N PHE A 90 -2.548 -6.644 7.814 1.00 0.00 N ATOM 1365 CA PHE A 90 -1.255 -7.066 7.269 1.00 0.00 C ATOM 1366 C PHE A 90 -1.415 -7.436 5.794 1.00 0.00 C ATOM 1367 O PHE A 90 -1.849 -8.544 5.453 1.00 0.00 O ATOM 1368 CB PHE A 90 -0.671 -8.246 8.082 1.00 0.00 C ATOM 1369 CG PHE A 90 0.633 -8.814 7.541 1.00 0.00 C ATOM 1370 CD1 PHE A 90 0.619 -9.747 6.511 1.00 0.00 C ATOM 1371 CD2 PHE A 90 1.869 -8.423 8.057 1.00 0.00 C ATOM 1372 CE1 PHE A 90 1.791 -10.272 6.011 1.00 0.00 C ATOM 1373 CE2 PHE A 90 3.041 -8.950 7.555 1.00 0.00 C ATOM 1374 CZ PHE A 90 3.001 -9.873 6.532 1.00 0.00 C ATOM 0 H PHE A 90 -3.331 -7.232 7.529 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.550 -6.238 7.347 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.509 -7.916 9.108 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.411 -9.045 8.118 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.326 -10.066 6.096 1.00 0.00 H new ATOM 0 HD2 PHE A 90 1.909 -7.700 8.858 1.00 0.00 H new ATOM 0 HE1 PHE A 90 1.760 -10.996 5.211 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.991 -8.639 7.964 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.919 -10.283 6.139 1.00 0.00 H new ATOM 1384 N HIS A 91 -1.097 -6.480 4.930 1.00 0.00 N ATOM 1385 CA HIS A 91 -1.120 -6.679 3.483 1.00 0.00 C ATOM 1386 C HIS A 91 0.300 -6.993 3.015 1.00 0.00 C ATOM 1387 O HIS A 91 1.258 -6.748 3.755 1.00 0.00 O ATOM 1388 CB HIS A 91 -1.646 -5.404 2.793 1.00 0.00 C ATOM 1389 CG HIS A 91 -2.565 -5.650 1.631 1.00 0.00 C ATOM 1390 ND1 HIS A 91 -3.838 -5.127 1.547 1.00 0.00 N ATOM 1391 CD2 HIS A 91 -2.374 -6.351 0.482 1.00 0.00 C ATOM 1392 CE1 HIS A 91 -4.366 -5.513 0.381 1.00 0.00 C ATOM 1393 NE2 HIS A 91 -3.519 -6.258 -0.304 1.00 0.00 N ATOM 0 H HIS A 91 -0.815 -5.541 5.212 1.00 0.00 H new ATOM 0 HA HIS A 91 -1.780 -7.507 3.224 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -2.171 -4.798 3.532 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.795 -4.818 2.447 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -4.296 -4.548 2.250 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.477 -6.893 0.221 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -5.357 -5.249 0.043 1.00 0.00 H new ATOM 1401 N HIS A 92 0.445 -7.538 1.813 1.00 0.00 N ATOM 1402 CA HIS A 92 1.770 -7.832 1.268 1.00 0.00 C ATOM 1403 C HIS A 92 1.698 -8.138 -0.221 1.00 0.00 C ATOM 1404 O HIS A 92 0.614 -8.287 -0.784 1.00 0.00 O ATOM 1405 CB HIS A 92 2.410 -9.016 2.009 1.00 0.00 C ATOM 1406 CG HIS A 92 1.685 -10.316 1.831 1.00 0.00 C ATOM 1407 ND1 HIS A 92 1.954 -11.213 0.821 1.00 0.00 N ATOM 1408 CD2 HIS A 92 0.697 -10.878 2.573 1.00 0.00 C ATOM 1409 CE1 HIS A 92 1.145 -12.266 0.975 1.00 0.00 C ATOM 1410 NE2 HIS A 92 0.360 -12.114 2.027 1.00 0.00 N ATOM 0 H HIS A 92 -0.331 -7.785 1.199 1.00 0.00 H new ATOM 0 HA HIS A 92 2.388 -6.945 1.410 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.437 -9.135 1.663 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.457 -8.782 3.072 1.00 0.00 H new ATOM 0 HD2 HIS A 92 0.244 -10.436 3.448 1.00 0.00 H new ATOM 0 HE1 HIS A 92 1.134 -13.128 0.325 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -0.346 -12.766 2.368 1.00 0.00 H new ATOM 1418 N TRP A 93 2.864 -8.215 -0.856 1.00 0.00 N ATOM 1419 CA TRP A 93 2.964 -8.614 -2.252 1.00 0.00 C ATOM 1420 C TRP A 93 4.295 -9.322 -2.509 1.00 0.00 C ATOM 1421 O TRP A 93 5.350 -8.884 -2.036 1.00 0.00 O ATOM 1422 CB TRP A 93 2.780 -7.409 -3.194 1.00 0.00 C ATOM 1423 CG TRP A 93 3.712 -6.248 -2.949 1.00 0.00 C ATOM 1424 CD1 TRP A 93 4.885 -5.978 -3.601 1.00 0.00 C ATOM 1425 CD2 TRP A 93 3.531 -5.184 -2.002 1.00 0.00 C ATOM 1426 NE1 TRP A 93 5.432 -4.813 -3.125 1.00 0.00 N ATOM 1427 CE2 TRP A 93 4.622 -4.308 -2.141 1.00 0.00 C ATOM 1428 CE3 TRP A 93 2.551 -4.889 -1.048 1.00 0.00 C ATOM 1429 CZ2 TRP A 93 4.761 -3.159 -1.366 1.00 0.00 C ATOM 1430 CZ3 TRP A 93 2.689 -3.747 -0.279 1.00 0.00 C ATOM 1431 CH2 TRP A 93 3.787 -2.894 -0.442 1.00 0.00 C ATOM 0 H TRP A 93 3.761 -8.003 -0.418 1.00 0.00 H new ATOM 0 HA TRP A 93 2.157 -9.316 -2.464 1.00 0.00 H new ATOM 0 HB2 TRP A 93 2.912 -7.749 -4.221 1.00 0.00 H new ATOM 0 HB3 TRP A 93 1.753 -7.054 -3.106 1.00 0.00 H new ATOM 0 HD1 TRP A 93 5.317 -6.592 -4.377 1.00 0.00 H new ATOM 0 HE1 TRP A 93 6.301 -4.391 -3.451 1.00 0.00 H new ATOM 0 HE3 TRP A 93 1.701 -5.542 -0.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 5.608 -2.500 -1.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 1.937 -3.510 0.459 1.00 0.00 H new ATOM 0 HH2 TRP A 93 3.867 -2.010 0.173 1.00 0.00 H new ATOM 1442 N LYS A 94 4.229 -10.435 -3.231 1.00 0.00 N ATOM 1443 CA LYS A 94 5.406 -11.233 -3.555 1.00 0.00 C ATOM 1444 C LYS A 94 5.831 -10.966 -4.993 1.00 0.00 C ATOM 1445 O LYS A 94 5.083 -11.251 -5.932 1.00 0.00 O ATOM 1446 CB LYS A 94 5.100 -12.732 -3.336 1.00 0.00 C ATOM 1447 CG LYS A 94 6.254 -13.695 -3.665 1.00 0.00 C ATOM 1448 CD LYS A 94 6.257 -14.130 -5.131 1.00 0.00 C ATOM 1449 CE LYS A 94 7.331 -15.175 -5.423 1.00 0.00 C ATOM 1450 NZ LYS A 94 8.706 -14.657 -5.178 1.00 0.00 N ATOM 0 H LYS A 94 3.358 -10.810 -3.608 1.00 0.00 H new ATOM 0 HA LYS A 94 6.229 -10.953 -2.897 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.812 -12.879 -2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.238 -13.003 -3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.203 -13.212 -3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.179 -14.577 -3.028 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.279 -14.536 -5.389 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.419 -13.259 -5.766 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.160 -16.053 -4.800 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.247 -15.499 -6.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.367 -15.093 -5.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.715 -13.625 -5.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.997 -14.891 -4.207 1.00 0.00 H new ATOM 1464 N VAL A 95 7.028 -10.416 -5.164 1.00 0.00 N ATOM 1465 CA VAL A 95 7.551 -10.120 -6.493 1.00 0.00 C ATOM 1466 C VAL A 95 8.636 -11.129 -6.872 1.00 0.00 C ATOM 1467 O VAL A 95 8.829 -12.132 -6.175 1.00 0.00 O ATOM 1468 CB VAL A 95 8.110 -8.673 -6.578 1.00 0.00 C ATOM 1469 CG1 VAL A 95 7.006 -7.652 -6.309 1.00 0.00 C ATOM 1470 CG2 VAL A 95 9.275 -8.482 -5.613 1.00 0.00 C ATOM 0 H VAL A 95 7.655 -10.166 -4.399 1.00 0.00 H new ATOM 0 HA VAL A 95 6.725 -10.200 -7.200 1.00 0.00 H new ATOM 0 HB VAL A 95 8.483 -8.512 -7.589 1.00 0.00 H new ATOM 0 HG11 VAL A 95 7.418 -6.645 -6.373 1.00 0.00 H new ATOM 0 HG12 VAL A 95 6.215 -7.768 -7.050 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.596 -7.813 -5.312 1.00 0.00 H new ATOM 0 HG21 VAL A 95 9.649 -7.461 -5.691 1.00 0.00 H new ATOM 0 HG22 VAL A 95 8.937 -8.667 -4.593 1.00 0.00 H new ATOM 0 HG23 VAL A 95 10.073 -9.181 -5.863 1.00 0.00 H new ATOM 1480 N ASP A 96 9.331 -10.858 -7.977 1.00 0.00 N ATOM 1481 CA ASP A 96 10.358 -11.761 -8.515 1.00 0.00 C ATOM 1482 C ASP A 96 11.419 -12.099 -7.469 1.00 0.00 C ATOM 1483 O ASP A 96 12.064 -13.146 -7.540 1.00 0.00 O ATOM 1484 CB ASP A 96 11.025 -11.121 -9.742 1.00 0.00 C ATOM 1485 CG ASP A 96 10.025 -10.772 -10.833 1.00 0.00 C ATOM 1486 OD1 ASP A 96 9.312 -9.757 -10.686 1.00 0.00 O ATOM 1487 OD2 ASP A 96 9.943 -11.509 -11.837 1.00 0.00 O ATOM 0 H ASP A 96 9.201 -10.008 -8.526 1.00 0.00 H new ATOM 0 HA ASP A 96 9.865 -12.689 -8.804 1.00 0.00 H new ATOM 0 HB2 ASP A 96 11.553 -10.218 -9.435 1.00 0.00 H new ATOM 0 HB3 ASP A 96 11.772 -11.806 -10.144 1.00 0.00 H new ATOM 1492 N ASN A 97 11.597 -11.204 -6.505 1.00 0.00 N ATOM 1493 CA ASN A 97 12.544 -11.413 -5.416 1.00 0.00 C ATOM 1494 C ASN A 97 12.123 -10.598 -4.195 1.00 0.00 C ATOM 1495 O ASN A 97 11.828 -9.407 -4.304 1.00 0.00 O ATOM 1496 CB ASN A 97 13.974 -11.057 -5.860 1.00 0.00 C ATOM 1497 CG ASN A 97 14.108 -9.627 -6.361 1.00 0.00 C ATOM 1498 OD1 ASN A 97 13.842 -9.338 -7.530 1.00 0.00 O ATOM 1499 ND2 ASN A 97 14.554 -8.731 -5.497 1.00 0.00 N ATOM 0 H ASN A 97 11.093 -10.319 -6.455 1.00 0.00 H new ATOM 0 HA ASN A 97 12.539 -12.468 -5.142 1.00 0.00 H new ATOM 0 HB2 ASN A 97 14.655 -11.207 -5.023 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.283 -11.742 -6.649 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.689 -7.763 -5.790 1.00 0.00 H new ATOM 0 HD22 ASN A 97 14.763 -9.008 -4.538 1.00 0.00 H new ATOM 1506 N ARG A 98 12.100 -11.265 -3.042 1.00 0.00 N ATOM 1507 CA ARG A 98 11.601 -10.704 -1.786 1.00 0.00 C ATOM 1508 C ARG A 98 10.076 -10.584 -1.771 1.00 0.00 C ATOM 1509 O ARG A 98 9.404 -10.630 -2.807 1.00 0.00 O ATOM 1510 CB ARG A 98 12.230 -9.339 -1.454 1.00 0.00 C ATOM 1511 CG ARG A 98 13.624 -9.427 -0.842 1.00 0.00 C ATOM 1512 CD ARG A 98 14.060 -8.085 -0.266 1.00 0.00 C ATOM 1513 NE ARG A 98 15.345 -8.169 0.433 1.00 0.00 N ATOM 1514 CZ ARG A 98 15.677 -7.424 1.491 1.00 0.00 C ATOM 1515 NH1 ARG A 98 14.796 -6.586 2.033 1.00 0.00 N ATOM 1516 NH2 ARG A 98 16.886 -7.533 2.018 1.00 0.00 N ATOM 0 H ARG A 98 12.432 -12.225 -2.952 1.00 0.00 H new ATOM 0 HA ARG A 98 11.902 -11.413 -1.015 1.00 0.00 H new ATOM 0 HB2 ARG A 98 12.282 -8.744 -2.366 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.575 -8.808 -0.764 1.00 0.00 H new ATOM 0 HG2 ARG A 98 13.632 -10.182 -0.056 1.00 0.00 H new ATOM 0 HG3 ARG A 98 14.337 -9.749 -1.601 1.00 0.00 H new ATOM 0 HD2 ARG A 98 14.134 -7.354 -1.071 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.297 -7.723 0.424 1.00 0.00 H new ATOM 0 HE ARG A 98 16.031 -8.841 0.089 1.00 0.00 H new ATOM 0 HH11 ARG A 98 13.858 -6.508 1.641 1.00 0.00 H new ATOM 0 HH12 ARG A 98 15.059 -6.022 2.841 1.00 0.00 H new ATOM 0 HH21 ARG A 98 17.561 -8.184 1.616 1.00 0.00 H new ATOM 0 HH22 ARG A 98 17.143 -6.966 2.826 1.00 0.00 H new ATOM 1530 N LYS A 99 9.553 -10.444 -0.560 1.00 0.00 N ATOM 1531 CA LYS A 99 8.140 -10.200 -0.322 1.00 0.00 C ATOM 1532 C LYS A 99 8.011 -8.902 0.466 1.00 0.00 C ATOM 1533 O LYS A 99 8.625 -8.753 1.523 1.00 0.00 O ATOM 1534 CB LYS A 99 7.507 -11.357 0.471 1.00 0.00 C ATOM 1535 CG LYS A 99 7.380 -12.666 -0.300 1.00 0.00 C ATOM 1536 CD LYS A 99 6.775 -13.770 0.567 1.00 0.00 C ATOM 1537 CE LYS A 99 6.562 -15.073 -0.204 1.00 0.00 C ATOM 1538 NZ LYS A 99 7.841 -15.713 -0.612 1.00 0.00 N ATOM 0 H LYS A 99 10.107 -10.498 0.295 1.00 0.00 H new ATOM 0 HA LYS A 99 7.617 -10.125 -1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 99 8.104 -11.535 1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 99 6.516 -11.051 0.805 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.757 -12.512 -1.181 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.363 -12.978 -0.655 1.00 0.00 H new ATOM 0 HD2 LYS A 99 7.430 -13.959 1.418 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.821 -13.430 0.969 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.994 -15.768 0.414 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.962 -14.872 -1.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.676 -16.719 -0.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.209 -15.242 -1.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.534 -15.626 0.159 1.00 0.00 H new ATOM 1552 N PHE A 100 7.242 -7.960 -0.052 1.00 0.00 N ATOM 1553 CA PHE A 100 7.092 -6.658 0.586 1.00 0.00 C ATOM 1554 C PHE A 100 5.773 -6.608 1.347 1.00 0.00 C ATOM 1555 O PHE A 100 4.725 -6.946 0.799 1.00 0.00 O ATOM 1556 CB PHE A 100 7.147 -5.544 -0.466 1.00 0.00 C ATOM 1557 CG PHE A 100 8.424 -5.515 -1.275 1.00 0.00 C ATOM 1558 CD1 PHE A 100 8.789 -6.602 -2.061 1.00 0.00 C ATOM 1559 CD2 PHE A 100 9.256 -4.405 -1.254 1.00 0.00 C ATOM 1560 CE1 PHE A 100 9.951 -6.582 -2.803 1.00 0.00 C ATOM 1561 CE2 PHE A 100 10.422 -4.380 -1.997 1.00 0.00 C ATOM 1562 CZ PHE A 100 10.770 -5.470 -2.771 1.00 0.00 C ATOM 0 H PHE A 100 6.709 -8.070 -0.915 1.00 0.00 H new ATOM 0 HA PHE A 100 7.911 -6.507 1.289 1.00 0.00 H new ATOM 0 HB2 PHE A 100 6.303 -5.660 -1.146 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.025 -4.583 0.033 1.00 0.00 H new ATOM 0 HD1 PHE A 100 8.153 -7.475 -2.091 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.990 -3.550 -0.650 1.00 0.00 H new ATOM 0 HE1 PHE A 100 10.221 -7.435 -3.408 1.00 0.00 H new ATOM 0 HE2 PHE A 100 11.060 -3.509 -1.972 1.00 0.00 H new ATOM 0 HZ PHE A 100 11.681 -5.453 -3.350 1.00 0.00 H new ATOM 1572 N GLY A 101 5.835 -6.212 2.611 1.00 0.00 N ATOM 1573 CA GLY A 101 4.653 -6.191 3.458 1.00 0.00 C ATOM 1574 C GLY A 101 4.210 -4.786 3.808 1.00 0.00 C ATOM 1575 O GLY A 101 4.970 -3.828 3.657 1.00 0.00 O ATOM 0 H GLY A 101 6.691 -5.901 3.071 1.00 0.00 H new ATOM 0 HA2 GLY A 101 3.839 -6.709 2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 101 4.859 -6.742 4.376 1.00 0.00 H new ATOM 1579 N LEU A 102 2.980 -4.670 4.291 1.00 0.00 N ATOM 1580 CA LEU A 102 2.409 -3.386 4.666 1.00 0.00 C ATOM 1581 C LEU A 102 1.400 -3.597 5.798 1.00 0.00 C ATOM 1582 O LEU A 102 0.301 -4.108 5.581 1.00 0.00 O ATOM 1583 CB LEU A 102 1.755 -2.725 3.433 1.00 0.00 C ATOM 1584 CG LEU A 102 1.377 -1.234 3.572 1.00 0.00 C ATOM 1585 CD1 LEU A 102 1.175 -0.606 2.194 1.00 0.00 C ATOM 1586 CD2 LEU A 102 0.116 -1.054 4.416 1.00 0.00 C ATOM 0 H LEU A 102 2.353 -5.462 4.433 1.00 0.00 H new ATOM 0 HA LEU A 102 3.190 -2.715 5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.437 -2.827 2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.853 -3.284 3.184 1.00 0.00 H new ATOM 0 HG LEU A 102 2.200 -0.730 4.079 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.909 0.445 2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 102 2.097 -0.686 1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.374 -1.128 1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.122 0.007 4.494 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.715 -1.578 3.945 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.284 -1.462 5.413 1.00 0.00 H new ATOM 1598 N THR A 103 1.804 -3.239 7.010 1.00 0.00 N ATOM 1599 CA THR A 103 0.952 -3.357 8.186 1.00 0.00 C ATOM 1600 C THR A 103 0.183 -2.054 8.408 1.00 0.00 C ATOM 1601 O THR A 103 0.782 -1.009 8.667 1.00 0.00 O ATOM 1602 CB THR A 103 1.793 -3.698 9.439 1.00 0.00 C ATOM 1603 OG1 THR A 103 2.583 -4.867 9.176 1.00 0.00 O ATOM 1604 CG2 THR A 103 0.905 -3.946 10.656 1.00 0.00 C ATOM 0 H THR A 103 2.730 -2.859 7.205 1.00 0.00 H new ATOM 0 HA THR A 103 0.242 -4.166 8.018 1.00 0.00 H new ATOM 0 HB THR A 103 2.439 -2.848 9.659 1.00 0.00 H new ATOM 0 HG1 THR A 103 3.118 -5.085 9.967 1.00 0.00 H new ATOM 0 HG21 THR A 103 1.528 -4.183 11.519 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.318 -3.052 10.867 1.00 0.00 H new ATOM 0 HG23 THR A 103 0.234 -4.781 10.453 1.00 0.00 H new ATOM 1612 N PHE A 104 -1.140 -2.125 8.290 1.00 0.00 N ATOM 1613 CA PHE A 104 -1.993 -0.939 8.379 1.00 0.00 C ATOM 1614 C PHE A 104 -1.985 -0.344 9.787 1.00 0.00 C ATOM 1615 O PHE A 104 -1.640 -1.022 10.760 1.00 0.00 O ATOM 1616 CB PHE A 104 -3.424 -1.285 7.957 1.00 0.00 C ATOM 1617 CG PHE A 104 -3.534 -1.718 6.518 1.00 0.00 C ATOM 1618 CD1 PHE A 104 -3.402 -0.794 5.495 1.00 0.00 C ATOM 1619 CD2 PHE A 104 -3.771 -3.045 6.189 1.00 0.00 C ATOM 1620 CE1 PHE A 104 -3.505 -1.183 4.174 1.00 0.00 C ATOM 1621 CE2 PHE A 104 -3.876 -3.438 4.869 1.00 0.00 C ATOM 1622 CZ PHE A 104 -3.742 -2.506 3.860 1.00 0.00 C ATOM 0 H PHE A 104 -1.649 -2.995 8.132 1.00 0.00 H new ATOM 0 HA PHE A 104 -1.591 -0.187 7.700 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -3.802 -2.081 8.598 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.063 -0.416 8.117 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -3.216 0.243 5.733 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.875 -3.779 6.974 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -3.400 -0.452 3.386 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -4.063 -4.474 4.627 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.822 -2.811 2.827 1.00 0.00 H new ATOM 1632 N GLN A 105 -2.373 0.925 9.884 1.00 0.00 N ATOM 1633 CA GLN A 105 -2.388 1.640 11.157 1.00 0.00 C ATOM 1634 C GLN A 105 -3.760 1.525 11.815 1.00 0.00 C ATOM 1635 O GLN A 105 -3.869 1.339 13.031 1.00 0.00 O ATOM 1636 CB GLN A 105 -2.031 3.120 10.939 1.00 0.00 C ATOM 1637 CG GLN A 105 -2.046 3.965 12.213 1.00 0.00 C ATOM 1638 CD GLN A 105 -1.041 3.502 13.260 1.00 0.00 C ATOM 1639 OE1 GLN A 105 0.095 2.977 12.818 1.00 0.00 O flip ATOM 1640 NE2 GLN A 105 -1.279 3.634 14.461 1.00 0.00 N flip ATOM 0 H GLN A 105 -2.684 1.483 9.089 1.00 0.00 H new ATOM 0 HA GLN A 105 -1.645 1.191 11.816 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -1.040 3.180 10.489 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.733 3.549 10.224 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.837 5.003 11.954 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -3.047 3.940 12.645 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -2.163 4.042 14.764 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -0.592 3.335 15.153 1.00 0.00 H new ATOM 1649 N SER A 106 -4.806 1.656 11.013 1.00 0.00 N ATOM 1650 CA SER A 106 -6.175 1.590 11.505 1.00 0.00 C ATOM 1651 C SER A 106 -7.077 0.893 10.482 1.00 0.00 C ATOM 1652 O SER A 106 -6.780 0.895 9.287 1.00 0.00 O ATOM 1653 CB SER A 106 -6.690 3.009 11.794 1.00 0.00 C ATOM 1654 OG SER A 106 -5.867 3.674 12.745 1.00 0.00 O ATOM 0 H SER A 106 -4.731 1.810 10.008 1.00 0.00 H new ATOM 0 HA SER A 106 -6.193 1.010 12.428 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.717 3.584 10.868 1.00 0.00 H new ATOM 0 HB3 SER A 106 -7.713 2.958 12.168 1.00 0.00 H new ATOM 0 HG SER A 106 -6.218 4.575 12.908 1.00 0.00 H new ATOM 1660 N PRO A 107 -8.186 0.273 10.936 1.00 0.00 N ATOM 1661 CA PRO A 107 -9.154 -0.377 10.040 1.00 0.00 C ATOM 1662 C PRO A 107 -9.628 0.554 8.922 1.00 0.00 C ATOM 1663 O PRO A 107 -9.992 0.098 7.838 1.00 0.00 O ATOM 1664 CB PRO A 107 -10.313 -0.750 10.974 1.00 0.00 C ATOM 1665 CG PRO A 107 -9.676 -0.893 12.315 1.00 0.00 C ATOM 1666 CD PRO A 107 -8.576 0.135 12.355 1.00 0.00 C ATOM 0 HA PRO A 107 -8.722 -1.234 9.523 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -11.083 0.022 10.980 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -10.793 -1.677 10.661 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.400 -0.723 13.112 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -9.278 -1.898 12.454 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.925 1.081 12.770 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -7.740 -0.195 12.972 1.00 0.00 H new ATOM 1674 N ALA A 108 -9.614 1.858 9.195 1.00 0.00 N ATOM 1675 CA ALA A 108 -9.999 2.861 8.203 1.00 0.00 C ATOM 1676 C ALA A 108 -9.092 2.797 6.972 1.00 0.00 C ATOM 1677 O ALA A 108 -9.555 2.516 5.861 1.00 0.00 O ATOM 1678 CB ALA A 108 -9.959 4.257 8.817 1.00 0.00 C ATOM 0 H ALA A 108 -9.339 2.245 10.098 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.018 2.645 7.884 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.248 4.993 8.067 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -10.651 4.305 9.658 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -8.949 4.472 9.166 1.00 0.00 H new ATOM 1684 N ASP A 109 -7.798 3.049 7.178 1.00 0.00 N ATOM 1685 CA ASP A 109 -6.821 3.012 6.089 1.00 0.00 C ATOM 1686 C ASP A 109 -6.675 1.595 5.548 1.00 0.00 C ATOM 1687 O ASP A 109 -6.382 1.405 4.368 1.00 0.00 O ATOM 1688 CB ASP A 109 -5.456 3.569 6.541 1.00 0.00 C ATOM 1689 CG ASP A 109 -4.975 2.986 7.862 1.00 0.00 C ATOM 1690 OD1 ASP A 109 -5.390 3.508 8.919 1.00 0.00 O ATOM 1691 OD2 ASP A 109 -4.191 2.013 7.854 1.00 0.00 O ATOM 0 H ASP A 109 -7.403 3.281 8.089 1.00 0.00 H new ATOM 0 HA ASP A 109 -7.190 3.651 5.287 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.714 3.363 5.769 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -5.527 4.653 6.634 1.00 0.00 H new ATOM 1696 N ALA A 110 -6.898 0.608 6.410 1.00 0.00 N ATOM 1697 CA ALA A 110 -6.881 -0.794 6.000 1.00 0.00 C ATOM 1698 C ALA A 110 -7.903 -1.042 4.892 1.00 0.00 C ATOM 1699 O ALA A 110 -7.552 -1.476 3.797 1.00 0.00 O ATOM 1700 CB ALA A 110 -7.155 -1.703 7.196 1.00 0.00 C ATOM 0 H ALA A 110 -7.093 0.753 7.401 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.890 -1.027 5.610 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -7.139 -2.744 6.873 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.389 -1.547 7.955 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -8.134 -1.468 7.615 1.00 0.00 H new ATOM 1706 N ARG A 111 -9.164 -0.728 5.182 1.00 0.00 N ATOM 1707 CA ARG A 111 -10.261 -0.919 4.236 1.00 0.00 C ATOM 1708 C ARG A 111 -10.040 -0.092 2.971 1.00 0.00 C ATOM 1709 O ARG A 111 -10.131 -0.607 1.849 1.00 0.00 O ATOM 1710 CB ARG A 111 -11.591 -0.523 4.897 1.00 0.00 C ATOM 1711 CG ARG A 111 -12.007 -1.443 6.043 1.00 0.00 C ATOM 1712 CD ARG A 111 -13.051 -0.796 6.947 1.00 0.00 C ATOM 1713 NE ARG A 111 -14.247 -0.366 6.218 1.00 0.00 N ATOM 1714 CZ ARG A 111 -15.323 0.170 6.800 1.00 0.00 C ATOM 1715 NH1 ARG A 111 -15.361 0.332 8.119 1.00 0.00 N ATOM 1716 NH2 ARG A 111 -16.361 0.542 6.063 1.00 0.00 N ATOM 0 H ARG A 111 -9.454 -0.335 6.078 1.00 0.00 H new ATOM 0 HA ARG A 111 -10.295 -1.971 3.954 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -11.510 0.497 5.273 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -12.376 -0.522 4.141 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -12.406 -2.372 5.635 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -11.129 -1.706 6.634 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -13.340 -1.503 7.724 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -12.608 0.065 7.448 1.00 0.00 H new ATOM 0 HE ARG A 111 -14.259 -0.483 5.205 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -14.566 0.046 8.691 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -16.185 0.742 8.559 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -16.338 0.419 5.051 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -17.182 0.951 6.508 1.00 0.00 H new ATOM 1730 N ALA A 112 -9.731 1.188 3.167 1.00 0.00 N ATOM 1731 CA ALA A 112 -9.570 2.127 2.061 1.00 0.00 C ATOM 1732 C ALA A 112 -8.445 1.698 1.122 1.00 0.00 C ATOM 1733 O ALA A 112 -8.630 1.640 -0.096 1.00 0.00 O ATOM 1734 CB ALA A 112 -9.312 3.533 2.595 1.00 0.00 C ATOM 0 H ALA A 112 -9.586 1.600 4.089 1.00 0.00 H new ATOM 0 HA ALA A 112 -10.497 2.130 1.487 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -9.194 4.223 1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -10.154 3.849 3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.403 3.533 3.197 1.00 0.00 H new ATOM 1740 N PHE A 113 -7.282 1.392 1.691 1.00 0.00 N ATOM 1741 CA PHE A 113 -6.116 1.027 0.892 1.00 0.00 C ATOM 1742 C PHE A 113 -6.296 -0.357 0.276 1.00 0.00 C ATOM 1743 O PHE A 113 -5.895 -0.584 -0.859 1.00 0.00 O ATOM 1744 CB PHE A 113 -4.838 1.070 1.737 1.00 0.00 C ATOM 1745 CG PHE A 113 -3.574 0.838 0.939 1.00 0.00 C ATOM 1746 CD1 PHE A 113 -2.950 1.891 0.285 1.00 0.00 C ATOM 1747 CD2 PHE A 113 -3.015 -0.430 0.839 1.00 0.00 C ATOM 1748 CE1 PHE A 113 -1.800 1.684 -0.451 1.00 0.00 C ATOM 1749 CE2 PHE A 113 -1.862 -0.640 0.105 1.00 0.00 C ATOM 1750 CZ PHE A 113 -1.254 0.418 -0.541 1.00 0.00 C ATOM 0 H PHE A 113 -7.122 1.389 2.698 1.00 0.00 H new ATOM 0 HA PHE A 113 -6.020 1.756 0.087 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.772 2.039 2.232 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.906 0.316 2.521 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -3.369 2.884 0.352 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -3.487 -1.262 1.341 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.327 2.513 -0.957 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -1.437 -1.631 0.037 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.354 0.256 -1.115 1.00 0.00 H new ATOM 1760 N ASP A 114 -6.898 -1.273 1.030 1.00 0.00 N ATOM 1761 CA ASP A 114 -7.155 -2.636 0.547 1.00 0.00 C ATOM 1762 C ASP A 114 -7.958 -2.594 -0.747 1.00 0.00 C ATOM 1763 O ASP A 114 -7.506 -3.039 -1.812 1.00 0.00 O ATOM 1764 CB ASP A 114 -7.944 -3.420 1.603 1.00 0.00 C ATOM 1765 CG ASP A 114 -8.115 -4.892 1.264 1.00 0.00 C ATOM 1766 OD1 ASP A 114 -7.226 -5.697 1.608 1.00 0.00 O ATOM 1767 OD2 ASP A 114 -9.148 -5.262 0.661 1.00 0.00 O ATOM 0 H ASP A 114 -7.220 -1.100 1.982 1.00 0.00 H new ATOM 0 HA ASP A 114 -6.199 -3.126 0.362 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -7.436 -3.333 2.563 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -8.928 -2.966 1.721 1.00 0.00 H new ATOM 1772 N ARG A 115 -9.155 -2.040 -0.636 1.00 0.00 N ATOM 1773 CA ARG A 115 -10.062 -1.911 -1.770 1.00 0.00 C ATOM 1774 C ARG A 115 -9.433 -1.049 -2.866 1.00 0.00 C ATOM 1775 O ARG A 115 -9.451 -1.406 -4.050 1.00 0.00 O ATOM 1776 CB ARG A 115 -11.383 -1.289 -1.304 1.00 0.00 C ATOM 1777 CG ARG A 115 -12.477 -1.281 -2.367 1.00 0.00 C ATOM 1778 CD ARG A 115 -13.719 -0.540 -1.886 1.00 0.00 C ATOM 1779 NE ARG A 115 -14.205 -1.062 -0.604 1.00 0.00 N ATOM 1780 CZ ARG A 115 -14.492 -0.300 0.456 1.00 0.00 C ATOM 1781 NH1 ARG A 115 -14.336 1.018 0.398 1.00 0.00 N ATOM 1782 NH2 ARG A 115 -14.936 -0.856 1.574 1.00 0.00 N ATOM 0 H ARG A 115 -9.526 -1.668 0.238 1.00 0.00 H new ATOM 0 HA ARG A 115 -10.255 -2.902 -2.181 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -11.742 -1.836 -0.432 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -11.196 -0.264 -0.982 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -12.100 -0.810 -3.275 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -12.741 -2.306 -2.626 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -13.492 0.521 -1.783 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -14.506 -0.626 -2.635 1.00 0.00 H new ATOM 0 HE ARG A 115 -14.332 -2.070 -0.516 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -13.995 1.454 -0.459 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -14.557 1.594 1.210 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -15.059 -1.867 1.627 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -15.154 -0.273 2.382 1.00 0.00 H new ATOM 1796 N GLY A 116 -8.859 0.075 -2.451 1.00 0.00 N ATOM 1797 CA GLY A 116 -8.278 1.020 -3.387 1.00 0.00 C ATOM 1798 C GLY A 116 -7.126 0.434 -4.182 1.00 0.00 C ATOM 1799 O GLY A 116 -7.020 0.661 -5.390 1.00 0.00 O ATOM 0 H GLY A 116 -8.785 0.351 -1.472 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -9.050 1.363 -4.076 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.927 1.895 -2.840 1.00 0.00 H new ATOM 1803 N VAL A 117 -6.266 -0.335 -3.515 1.00 0.00 N ATOM 1804 CA VAL A 117 -5.091 -0.899 -4.169 1.00 0.00 C ATOM 1805 C VAL A 117 -5.496 -2.041 -5.089 1.00 0.00 C ATOM 1806 O VAL A 117 -4.882 -2.247 -6.131 1.00 0.00 O ATOM 1807 CB VAL A 117 -4.015 -1.383 -3.161 1.00 0.00 C ATOM 1808 CG1 VAL A 117 -4.431 -2.681 -2.460 1.00 0.00 C ATOM 1809 CG2 VAL A 117 -2.669 -1.544 -3.865 1.00 0.00 C ATOM 0 H VAL A 117 -6.361 -0.579 -2.529 1.00 0.00 H new ATOM 0 HA VAL A 117 -4.642 -0.097 -4.755 1.00 0.00 H new ATOM 0 HB VAL A 117 -3.916 -0.623 -2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -3.650 -2.985 -1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -5.361 -2.518 -1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -4.579 -3.465 -3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.922 -1.884 -3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -2.763 -2.277 -4.666 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -2.361 -0.586 -4.284 1.00 0.00 H new ATOM 1819 N ARG A 118 -6.539 -2.781 -4.705 1.00 0.00 N ATOM 1820 CA ARG A 118 -7.118 -3.788 -5.590 1.00 0.00 C ATOM 1821 C ARG A 118 -7.551 -3.124 -6.896 1.00 0.00 C ATOM 1822 O ARG A 118 -7.187 -3.573 -7.986 1.00 0.00 O ATOM 1823 CB ARG A 118 -8.310 -4.480 -4.911 1.00 0.00 C ATOM 1824 CG ARG A 118 -9.164 -5.338 -5.841 1.00 0.00 C ATOM 1825 CD ARG A 118 -8.374 -6.455 -6.517 1.00 0.00 C ATOM 1826 NE ARG A 118 -9.242 -7.291 -7.352 1.00 0.00 N ATOM 1827 CZ ARG A 118 -8.819 -8.257 -8.170 1.00 0.00 C ATOM 1828 NH1 ARG A 118 -7.523 -8.514 -8.306 1.00 0.00 N ATOM 1829 NH2 ARG A 118 -9.704 -8.963 -8.856 1.00 0.00 N ATOM 0 H ARG A 118 -6.994 -2.702 -3.796 1.00 0.00 H new ATOM 0 HA ARG A 118 -6.369 -4.549 -5.808 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -7.936 -5.107 -4.102 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -8.944 -3.719 -4.457 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -9.985 -5.774 -5.272 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -9.610 -4.702 -6.606 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -7.582 -6.024 -7.129 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -7.891 -7.072 -5.759 1.00 0.00 H new ATOM 0 HE ARG A 118 -10.247 -7.121 -7.304 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -6.837 -7.970 -7.782 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -7.213 -9.255 -8.935 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -10.700 -8.767 -8.757 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -9.390 -9.703 -9.484 1.00 0.00 H new ATOM 1843 N LYS A 119 -8.302 -2.035 -6.763 1.00 0.00 N ATOM 1844 CA LYS A 119 -8.742 -1.247 -7.908 1.00 0.00 C ATOM 1845 C LYS A 119 -7.523 -0.764 -8.703 1.00 0.00 C ATOM 1846 O LYS A 119 -7.539 -0.750 -9.933 1.00 0.00 O ATOM 1847 CB LYS A 119 -9.604 -0.062 -7.420 1.00 0.00 C ATOM 1848 CG LYS A 119 -10.348 0.715 -8.516 1.00 0.00 C ATOM 1849 CD LYS A 119 -9.451 1.702 -9.268 1.00 0.00 C ATOM 1850 CE LYS A 119 -8.838 2.746 -8.340 1.00 0.00 C ATOM 1851 NZ LYS A 119 -9.869 3.562 -7.642 1.00 0.00 N ATOM 0 H LYS A 119 -8.621 -1.676 -5.863 1.00 0.00 H new ATOM 0 HA LYS A 119 -9.353 -1.862 -8.569 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -10.337 -0.439 -6.706 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -8.961 0.633 -6.880 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -10.776 0.008 -9.227 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -11.179 1.258 -8.067 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -8.655 1.155 -9.773 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -10.033 2.203 -10.041 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -8.212 2.247 -7.600 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -8.188 3.404 -8.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -9.406 4.331 -7.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -10.524 3.966 -8.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -10.398 2.960 -6.979 1.00 0.00 H new ATOM 1865 N ALA A 120 -6.465 -0.388 -7.983 1.00 0.00 N ATOM 1866 CA ALA A 120 -5.226 0.087 -8.601 1.00 0.00 C ATOM 1867 C ALA A 120 -4.542 -1.026 -9.400 1.00 0.00 C ATOM 1868 O ALA A 120 -4.033 -0.789 -10.494 1.00 0.00 O ATOM 1869 CB ALA A 120 -4.282 0.644 -7.540 1.00 0.00 C ATOM 0 H ALA A 120 -6.442 -0.404 -6.963 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.481 0.887 -9.296 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.365 0.993 -8.016 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.763 1.476 -7.025 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.042 -0.138 -6.820 1.00 0.00 H new ATOM 1875 N ILE A 121 -4.537 -2.242 -8.850 1.00 0.00 N ATOM 1876 CA ILE A 121 -3.948 -3.391 -9.536 1.00 0.00 C ATOM 1877 C ILE A 121 -4.710 -3.662 -10.828 1.00 0.00 C ATOM 1878 O ILE A 121 -4.114 -3.958 -11.871 1.00 0.00 O ATOM 1879 CB ILE A 121 -3.952 -4.665 -8.645 1.00 0.00 C ATOM 1880 CG1 ILE A 121 -3.105 -4.444 -7.377 1.00 0.00 C ATOM 1881 CG2 ILE A 121 -3.443 -5.881 -9.424 1.00 0.00 C ATOM 1882 CD1 ILE A 121 -1.659 -4.085 -7.655 1.00 0.00 C ATOM 0 H ILE A 121 -4.933 -2.455 -7.934 1.00 0.00 H new ATOM 0 HA ILE A 121 -2.909 -3.148 -9.759 1.00 0.00 H new ATOM 0 HB ILE A 121 -4.981 -4.861 -8.344 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -3.558 -3.650 -6.784 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -3.134 -5.350 -6.771 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -3.456 -6.759 -8.778 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.086 -6.056 -10.286 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -2.424 -5.695 -9.763 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -1.131 -3.946 -6.712 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -1.187 -4.888 -8.220 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -1.618 -3.162 -8.233 1.00 0.00 H new ATOM 1894 N GLU A 122 -6.031 -3.543 -10.752 1.00 0.00 N ATOM 1895 CA GLU A 122 -6.876 -3.657 -11.934 1.00 0.00 C ATOM 1896 C GLU A 122 -6.530 -2.541 -12.921 1.00 0.00 C ATOM 1897 O GLU A 122 -6.377 -2.778 -14.114 1.00 0.00 O ATOM 1898 CB GLU A 122 -8.361 -3.594 -11.538 1.00 0.00 C ATOM 1899 CG GLU A 122 -8.785 -4.698 -10.569 1.00 0.00 C ATOM 1900 CD GLU A 122 -10.262 -4.634 -10.202 1.00 0.00 C ATOM 1901 OE1 GLU A 122 -11.091 -5.193 -10.955 1.00 0.00 O ATOM 1902 OE2 GLU A 122 -10.606 -4.030 -9.165 1.00 0.00 O ATOM 0 H GLU A 122 -6.539 -3.368 -9.885 1.00 0.00 H new ATOM 0 HA GLU A 122 -6.695 -4.619 -12.414 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -8.566 -2.625 -11.083 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -8.971 -3.659 -12.439 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -8.569 -5.668 -11.016 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -8.187 -4.625 -9.660 1.00 0.00 H new ATOM 1909 N ASP A 123 -6.363 -1.329 -12.396 1.00 0.00 N ATOM 1910 CA ASP A 123 -6.021 -0.162 -13.215 1.00 0.00 C ATOM 1911 C ASP A 123 -4.626 -0.312 -13.829 1.00 0.00 C ATOM 1912 O ASP A 123 -4.319 0.292 -14.857 1.00 0.00 O ATOM 1913 CB ASP A 123 -6.092 1.115 -12.361 1.00 0.00 C ATOM 1914 CG ASP A 123 -5.838 2.386 -13.160 1.00 0.00 C ATOM 1915 OD1 ASP A 123 -6.661 2.710 -14.044 1.00 0.00 O ATOM 1916 OD2 ASP A 123 -4.832 3.078 -12.902 1.00 0.00 O ATOM 0 H ASP A 123 -6.459 -1.126 -11.401 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.742 -0.089 -14.029 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -7.075 1.178 -11.894 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.360 1.047 -11.556 1.00 0.00 H new ATOM 1921 N LEU A 124 -3.790 -1.126 -13.193 1.00 0.00 N ATOM 1922 CA LEU A 124 -2.433 -1.381 -13.676 1.00 0.00 C ATOM 1923 C LEU A 124 -2.458 -2.373 -14.846 1.00 0.00 C ATOM 1924 O LEU A 124 -1.908 -2.099 -15.917 1.00 0.00 O ATOM 1925 CB LEU A 124 -1.562 -1.926 -12.518 1.00 0.00 C ATOM 1926 CG LEU A 124 -0.026 -1.882 -12.715 1.00 0.00 C ATOM 1927 CD1 LEU A 124 0.685 -2.208 -11.403 1.00 0.00 C ATOM 1928 CD2 LEU A 124 0.439 -2.846 -13.809 1.00 0.00 C ATOM 0 H LEU A 124 -4.029 -1.625 -12.336 1.00 0.00 H new ATOM 0 HA LEU A 124 -2.001 -0.447 -14.034 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.805 -1.363 -11.617 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.851 -2.961 -12.334 1.00 0.00 H new ATOM 0 HG LEU A 124 0.232 -0.871 -13.030 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.764 -2.174 -11.555 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.402 -1.478 -10.645 1.00 0.00 H new ATOM 0 HD13 LEU A 124 0.397 -3.206 -11.071 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.522 -2.783 -13.914 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.160 -3.864 -13.539 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -0.033 -2.579 -14.754 1.00 0.00 H new ATOM 1940 N ILE A 125 -3.107 -3.515 -14.639 1.00 0.00 N ATOM 1941 CA ILE A 125 -3.048 -4.623 -15.598 1.00 0.00 C ATOM 1942 C ILE A 125 -4.224 -4.604 -16.583 1.00 0.00 C ATOM 1943 O ILE A 125 -4.029 -4.739 -17.794 1.00 0.00 O ATOM 1944 CB ILE A 125 -3.014 -5.984 -14.856 1.00 0.00 C ATOM 1945 CG1 ILE A 125 -1.837 -6.016 -13.865 1.00 0.00 C ATOM 1946 CG2 ILE A 125 -2.918 -7.144 -15.851 1.00 0.00 C ATOM 1947 CD1 ILE A 125 -1.757 -7.283 -13.037 1.00 0.00 C ATOM 0 H ILE A 125 -3.681 -3.701 -13.817 1.00 0.00 H new ATOM 0 HA ILE A 125 -2.130 -4.494 -16.172 1.00 0.00 H new ATOM 0 HB ILE A 125 -3.943 -6.099 -14.297 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -0.906 -5.898 -14.420 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -1.918 -5.161 -13.194 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -2.896 -8.089 -15.308 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -3.783 -7.127 -16.514 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -2.007 -7.043 -16.441 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -0.901 -7.225 -12.365 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -2.670 -7.394 -12.452 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -1.642 -8.143 -13.697 1.00 0.00 H new ATOM 1959 N GLU A 126 -5.434 -4.430 -16.060 1.00 0.00 N ATOM 1960 CA GLU A 126 -6.652 -4.499 -16.870 1.00 0.00 C ATOM 1961 C GLU A 126 -6.717 -3.310 -17.838 1.00 0.00 C ATOM 1962 O GLU A 126 -6.875 -2.170 -17.368 1.00 0.00 O ATOM 1963 CB GLU A 126 -7.890 -4.524 -15.950 1.00 0.00 C ATOM 1964 CG GLU A 126 -9.215 -4.749 -16.670 1.00 0.00 C ATOM 1965 CD GLU A 126 -9.292 -6.101 -17.360 1.00 0.00 C ATOM 1966 OE1 GLU A 126 -9.369 -7.131 -16.656 1.00 0.00 O ATOM 1967 OE2 GLU A 126 -9.268 -6.145 -18.610 1.00 0.00 O ATOM 1968 OXT GLU A 126 -6.605 -3.522 -19.069 1.00 0.00 O ATOM 0 H GLU A 126 -5.600 -4.239 -15.072 1.00 0.00 H new ATOM 0 HA GLU A 126 -6.637 -5.415 -17.460 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -7.758 -5.311 -15.207 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -7.942 -3.580 -15.408 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -10.031 -4.666 -15.952 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -9.359 -3.961 -17.409 1.00 0.00 H new TER 1975 GLU A 126