USER MOD reduce.3.24.130724 H: found=0, std=0, add=1238, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1233 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 13 HIS : no HD1:sc= 0.277 K(o=0.95,f=-3.7!) USER MOD Set 1.2: A 45 THR OG1 : rot 175:sc= 0.673 USER MOD Set 2.1: A 25 LYS NZ :NH3+ 172:sc= -0.48 (180deg=-0.559) USER MOD Set 2.2: A 106 SER OG : rot -140:sc= -0.117 USER MOD Set 3.1: A 14 GLN :FLIP amide:sc= -8.86! C(o=-9.7!,f=-8.9!) USER MOD Set 3.2: A 18 SER OG : rot 180:sc= -0.059 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 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 21:sc= 0.752 USER MOD Single : A 11 SER OG : rot 3:sc= 0.0106 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 132:sc= 0.319 USER MOD Single : A 34 THR OG1 : rot 80:sc= -0.582 USER MOD Single : A 36 HIS : no HD1:sc= -0.525 X(o=-0.53,f=-0.61) USER MOD Single : A 47 LYS NZ :NH3+ 168:sc= -0.0647 (180deg=-0.343) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN :FLIP amide:sc= -0.72 F(o=-1.5,f=-0.72) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc= -1.01 F(o=-2.8!,f=-1) USER MOD Single : A 60 THR OG1 : rot 80:sc= 0.427 USER MOD Single : A 61 TYR OH : rot -156:sc= -2.04! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0.161 X(o=0.16,f=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 27:sc= 0.362 USER MOD Single : A 83 CYS SG : rot -128:sc= -0.48 USER MOD Single : A 89 CYS SG : rot 106:sc= 1.14 USER MOD Single : A 91 SER OG : rot 39:sc= 1 USER MOD Single : A 92 GLN :FLIP amide:sc= -4.98! C(o=-6.1!,f=-5!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ -150:sc= -0.19 (180deg=-1.04) USER MOD Single : A 98 GLN : amide:sc= -0.595 K(o=-0.59,f=-2.2) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -12.2! C(o=-12!,f=-15!) USER MOD Single : A 108 SER OG : rot 110:sc= -0.0153 USER MOD Single : A 114 CYS SG : rot 44:sc= 0.047 USER MOD Single : A 115 LYS NZ :NH3+ 146:sc= -0.413 (180deg=-1.74!) USER MOD Single : A 116 ASN :FLIP amide:sc= -1.56 F(o=-4.9!,f=-1.6) USER MOD Single : A 118 GLN : amide:sc= -0.0737 K(o=-0.074,f=-1.4) USER MOD Single : A 120 MET CE :methyl 167:sc= -5.5! (180deg=-6.3!) USER MOD Single : A 123 LYS NZ :NH3+ -145:sc= 0.0597 (180deg=-0.605) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 ASN : amide:sc= -8.31! C(o=-8.3!,f=-18!) USER MOD Single : A 131 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0477) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 HIS : no HD1:sc= -0.145 K(o=-0.14,f=-0.67) USER MOD Single : A 141 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 144 LYS NZ :NH3+ 165:sc= -0.0223 (180deg=-0.255) USER MOD Single : A 145 LYS NZ :NH3+ -105:sc= -0.0634 (180deg=-0.675) USER MOD Single : A 148 MET CE :methyl 179:sc= 0 (180deg=-0.0021) USER MOD Single : A 149 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0572) USER MOD Single : A 150 GLN :FLIP amide:sc= -6.4! C(o=-7!,f=-6.4!) USER MOD Single : A 151 ASN : amide:sc= -1.56 K(o=-1.6,f=-2.3!) USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.451 -11.593 -14.704 1.00 0.00 N ATOM 2 CA GLY A 1 11.576 -11.477 -15.856 1.00 0.00 C ATOM 3 C GLY A 1 10.987 -12.809 -16.273 1.00 0.00 C ATOM 4 O GLY A 1 11.658 -13.620 -16.912 1.00 0.00 O ATOM 0 H1 GLY A 1 12.828 -10.655 -14.459 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.915 -11.972 -13.898 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.238 -12.235 -14.929 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.768 -10.782 -15.626 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.134 -11.053 -16.691 1.00 0.00 H new ATOM 8 N SER A 2 9.729 -13.038 -15.910 1.00 0.00 N ATOM 9 CA SER A 2 9.051 -14.284 -16.246 1.00 0.00 C ATOM 10 C SER A 2 7.619 -14.019 -16.702 1.00 0.00 C ATOM 11 O SER A 2 6.766 -13.624 -15.907 1.00 0.00 O ATOM 12 CB SER A 2 9.048 -15.228 -15.042 1.00 0.00 C ATOM 13 OG SER A 2 10.366 -15.475 -14.584 1.00 0.00 O ATOM 0 H SER A 2 9.159 -12.377 -15.383 1.00 0.00 H new ATOM 0 HA SER A 2 9.594 -14.754 -17.066 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.455 -14.794 -14.237 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.572 -16.170 -15.316 1.00 0.00 H new ATOM 0 HG SER A 2 10.337 -16.080 -13.813 1.00 0.00 H new ATOM 19 N SER A 3 7.364 -14.237 -17.988 1.00 0.00 N ATOM 20 CA SER A 3 6.037 -14.018 -18.552 1.00 0.00 C ATOM 21 C SER A 3 4.977 -14.771 -17.755 1.00 0.00 C ATOM 22 O SER A 3 4.952 -16.001 -17.741 1.00 0.00 O ATOM 23 CB SER A 3 6.003 -14.461 -20.015 1.00 0.00 C ATOM 24 OG SER A 3 4.974 -13.795 -20.726 1.00 0.00 O ATOM 0 H SER A 3 8.059 -14.565 -18.659 1.00 0.00 H new ATOM 0 HA SER A 3 5.817 -12.952 -18.498 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.965 -14.254 -20.483 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.848 -15.539 -20.068 1.00 0.00 H new ATOM 0 HG SER A 3 4.974 -14.094 -21.659 1.00 0.00 H new ATOM 30 N GLY A 4 4.101 -14.023 -17.091 1.00 0.00 N ATOM 31 CA GLY A 4 3.050 -14.636 -16.300 1.00 0.00 C ATOM 32 C GLY A 4 3.025 -14.125 -14.873 1.00 0.00 C ATOM 33 O GLY A 4 2.901 -14.906 -13.930 1.00 0.00 O ATOM 0 H GLY A 4 4.101 -13.003 -17.087 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.086 -14.441 -16.769 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.188 -15.717 -16.293 1.00 0.00 H new ATOM 37 N SER A 5 3.146 -12.811 -14.714 1.00 0.00 N ATOM 38 CA SER A 5 3.142 -12.198 -13.391 1.00 0.00 C ATOM 39 C SER A 5 1.717 -12.028 -12.875 1.00 0.00 C ATOM 40 O SER A 5 0.979 -11.156 -13.333 1.00 0.00 O ATOM 41 CB SER A 5 3.847 -10.841 -13.433 1.00 0.00 C ATOM 42 OG SER A 5 4.019 -10.315 -12.129 1.00 0.00 O ATOM 0 H SER A 5 3.248 -12.151 -15.485 1.00 0.00 H new ATOM 0 HA SER A 5 3.679 -12.858 -12.710 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.818 -10.947 -13.917 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.265 -10.144 -14.036 1.00 0.00 H new ATOM 0 HG SER A 5 4.473 -9.448 -12.183 1.00 0.00 H new ATOM 48 N SER A 6 1.336 -12.869 -11.918 1.00 0.00 N ATOM 49 CA SER A 6 -0.002 -12.816 -11.341 1.00 0.00 C ATOM 50 C SER A 6 -0.161 -11.587 -10.451 1.00 0.00 C ATOM 51 O SER A 6 0.771 -11.186 -9.755 1.00 0.00 O ATOM 52 CB SER A 6 -0.283 -14.084 -10.534 1.00 0.00 C ATOM 53 OG SER A 6 -0.019 -15.246 -11.301 1.00 0.00 O ATOM 0 H SER A 6 1.936 -13.595 -11.526 1.00 0.00 H new ATOM 0 HA SER A 6 -0.721 -12.747 -12.158 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.333 -14.090 -9.635 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.323 -14.088 -10.208 1.00 0.00 H new ATOM 0 HG SER A 6 -0.205 -16.043 -10.762 1.00 0.00 H new ATOM 59 N GLY A 7 -1.350 -10.993 -10.479 1.00 0.00 N ATOM 60 CA GLY A 7 -1.611 -9.816 -9.671 1.00 0.00 C ATOM 61 C GLY A 7 -1.755 -10.145 -8.198 1.00 0.00 C ATOM 62 O GLY A 7 -2.852 -10.444 -7.727 1.00 0.00 O ATOM 0 H GLY A 7 -2.137 -11.306 -11.047 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.799 -9.101 -9.803 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.522 -9.332 -10.023 1.00 0.00 H new ATOM 66 N TRP A 8 -0.646 -10.089 -7.470 1.00 0.00 N ATOM 67 CA TRP A 8 -0.653 -10.385 -6.042 1.00 0.00 C ATOM 68 C TRP A 8 -1.210 -9.210 -5.246 1.00 0.00 C ATOM 69 O TRP A 8 -1.268 -8.084 -5.742 1.00 0.00 O ATOM 70 CB TRP A 8 0.760 -10.719 -5.562 1.00 0.00 C ATOM 71 CG TRP A 8 1.291 -12.002 -6.125 1.00 0.00 C ATOM 72 CD1 TRP A 8 1.957 -12.165 -7.306 1.00 0.00 C ATOM 73 CD2 TRP A 8 1.198 -13.302 -5.532 1.00 0.00 C ATOM 74 NE1 TRP A 8 2.284 -13.488 -7.483 1.00 0.00 N ATOM 75 CE2 TRP A 8 1.830 -14.206 -6.408 1.00 0.00 C ATOM 76 CE3 TRP A 8 0.643 -13.790 -4.346 1.00 0.00 C ATOM 77 CZ2 TRP A 8 1.921 -15.568 -6.134 1.00 0.00 C ATOM 78 CZ3 TRP A 8 0.734 -15.142 -4.075 1.00 0.00 C ATOM 79 CH2 TRP A 8 1.370 -16.018 -4.965 1.00 0.00 C ATOM 0 H TRP A 8 0.270 -9.841 -7.845 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.297 -11.249 -5.878 1.00 0.00 H new ATOM 0 HB2 TRP A 8 1.431 -9.905 -5.836 1.00 0.00 H new ATOM 0 HB3 TRP A 8 0.761 -10.780 -4.474 1.00 0.00 H new ATOM 0 HD1 TRP A 8 2.192 -11.371 -7.999 1.00 0.00 H new ATOM 0 HE1 TRP A 8 2.784 -13.873 -8.285 1.00 0.00 H new ATOM 0 HE3 TRP A 8 0.152 -13.122 -3.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 2.409 -16.245 -6.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.308 -15.530 -3.162 1.00 0.00 H new ATOM 0 HH2 TRP A 8 1.426 -17.069 -4.723 1.00 0.00 H new ATOM 90 N CYS A 9 -1.616 -9.478 -4.010 1.00 0.00 N ATOM 91 CA CYS A 9 -2.169 -8.441 -3.145 1.00 0.00 C ATOM 92 C CYS A 9 -1.638 -8.580 -1.722 1.00 0.00 C ATOM 93 O CYS A 9 -1.614 -9.677 -1.161 1.00 0.00 O ATOM 94 CB CYS A 9 -3.697 -8.511 -3.142 1.00 0.00 C ATOM 95 SG CYS A 9 -4.491 -7.262 -2.104 1.00 0.00 S ATOM 0 H CYS A 9 -1.573 -10.404 -3.584 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.858 -7.472 -3.536 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.057 -8.400 -4.165 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.004 -9.500 -2.801 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.665 -6.279 -1.900 1.00 0.00 H new ATOM 101 N LEU A 10 -1.211 -7.463 -1.144 1.00 0.00 N ATOM 102 CA LEU A 10 -0.678 -7.460 0.214 1.00 0.00 C ATOM 103 C LEU A 10 -1.486 -6.531 1.114 1.00 0.00 C ATOM 104 O LEU A 10 -1.492 -5.315 0.922 1.00 0.00 O ATOM 105 CB LEU A 10 0.790 -7.032 0.206 1.00 0.00 C ATOM 106 CG LEU A 10 1.475 -6.957 1.571 1.00 0.00 C ATOM 107 CD1 LEU A 10 1.547 -8.336 2.209 1.00 0.00 C ATOM 108 CD2 LEU A 10 2.867 -6.357 1.437 1.00 0.00 C ATOM 0 H LEU A 10 -1.223 -6.548 -1.594 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.752 -8.473 0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.347 -7.729 -0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.860 -6.053 -0.267 1.00 0.00 H new ATOM 0 HG LEU A 10 0.882 -6.310 2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.038 -8.263 3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.539 -8.729 2.341 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.116 -9.006 1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.340 -6.311 2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.468 -6.978 0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.791 -5.351 1.024 1.00 0.00 H new ATOM 120 N SER A 11 -2.165 -7.111 2.098 1.00 0.00 N ATOM 121 CA SER A 11 -2.978 -6.335 3.027 1.00 0.00 C ATOM 122 C SER A 11 -2.100 -5.460 3.917 1.00 0.00 C ATOM 123 O SER A 11 -0.931 -5.768 4.150 1.00 0.00 O ATOM 124 CB SER A 11 -3.832 -7.265 3.891 1.00 0.00 C ATOM 125 OG SER A 11 -5.000 -6.605 4.349 1.00 0.00 O ATOM 0 H SER A 11 -2.168 -8.116 2.273 1.00 0.00 H new ATOM 0 HA SER A 11 -3.634 -5.688 2.444 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.111 -8.147 3.315 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.249 -7.612 4.744 1.00 0.00 H new ATOM 0 HG SER A 11 -5.031 -5.699 3.976 1.00 0.00 H new ATOM 131 N VAL A 12 -2.672 -4.367 4.413 1.00 0.00 N ATOM 132 CA VAL A 12 -1.944 -3.448 5.278 1.00 0.00 C ATOM 133 C VAL A 12 -2.804 -3.003 6.456 1.00 0.00 C ATOM 134 O VAL A 12 -4.033 -3.030 6.385 1.00 0.00 O ATOM 135 CB VAL A 12 -1.471 -2.203 4.503 1.00 0.00 C ATOM 136 CG1 VAL A 12 -1.037 -1.108 5.465 1.00 0.00 C ATOM 137 CG2 VAL A 12 -0.341 -2.566 3.551 1.00 0.00 C ATOM 0 H VAL A 12 -3.638 -4.097 4.230 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.073 -3.988 5.651 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.306 -1.825 3.913 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.706 -0.237 4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.876 -0.830 6.102 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.217 -1.472 6.084 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.019 -1.675 3.012 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.498 -2.969 4.119 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.691 -3.314 2.840 1.00 0.00 H new ATOM 147 N HIS A 13 -2.150 -2.594 7.538 1.00 0.00 N ATOM 148 CA HIS A 13 -2.855 -2.142 8.732 1.00 0.00 C ATOM 149 C HIS A 13 -3.149 -0.647 8.656 1.00 0.00 C ATOM 150 O HIS A 13 -2.235 0.176 8.675 1.00 0.00 O ATOM 151 CB HIS A 13 -2.031 -2.448 9.983 1.00 0.00 C ATOM 152 CG HIS A 13 -2.162 -3.863 10.456 1.00 0.00 C ATOM 153 ND1 HIS A 13 -3.379 -4.465 10.698 1.00 0.00 N ATOM 154 CD2 HIS A 13 -1.221 -4.796 10.730 1.00 0.00 C ATOM 155 CE1 HIS A 13 -3.180 -5.707 11.102 1.00 0.00 C ATOM 156 NE2 HIS A 13 -1.879 -5.933 11.129 1.00 0.00 N ATOM 0 H HIS A 13 -1.133 -2.566 7.613 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.802 -2.678 8.789 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -0.981 -2.238 9.777 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.339 -1.776 10.784 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -0.151 -4.670 10.650 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -3.950 -6.417 11.365 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -1.435 -6.810 11.402 1.00 0.00 H new ATOM 164 N GLN A 14 -4.431 -0.305 8.568 1.00 0.00 N ATOM 165 CA GLN A 14 -4.845 1.091 8.487 1.00 0.00 C ATOM 166 C GLN A 14 -4.402 1.863 9.725 1.00 0.00 C ATOM 167 O GLN A 14 -4.095 1.286 10.769 1.00 0.00 O ATOM 168 CB GLN A 14 -6.363 1.186 8.328 1.00 0.00 C ATOM 169 CG GLN A 14 -6.831 1.085 6.885 1.00 0.00 C ATOM 170 CD GLN A 14 -8.341 1.115 6.758 1.00 0.00 C ATOM 171 OE1 GLN A 14 -8.830 1.541 5.599 1.00 0.00 O flip ATOM 172 NE2 GLN A 14 -9.062 0.761 7.691 1.00 0.00 N flip ATOM 0 H GLN A 14 -5.200 -0.975 8.551 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.367 1.536 7.614 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.831 0.392 8.910 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.705 2.132 8.747 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.405 1.908 6.311 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.452 0.161 6.448 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.645 0.440 8.565 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.077 0.788 7.590 1.00 0.00 H new ATOM 181 N PRO A 15 -4.366 3.198 9.610 1.00 0.00 N ATOM 182 CA PRO A 15 -4.728 3.895 8.372 1.00 0.00 C ATOM 183 C PRO A 15 -3.706 3.674 7.262 1.00 0.00 C ATOM 184 O PRO A 15 -4.050 3.679 6.080 1.00 0.00 O ATOM 185 CB PRO A 15 -4.754 5.368 8.789 1.00 0.00 C ATOM 186 CG PRO A 15 -3.837 5.446 9.961 1.00 0.00 C ATOM 187 CD PRO A 15 -3.969 4.131 10.678 1.00 0.00 C ATOM 0 HA PRO A 15 -5.673 3.536 7.964 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.417 6.015 7.979 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.762 5.687 9.053 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.809 5.615 9.641 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.108 6.276 10.614 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.030 3.832 11.144 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.717 4.178 11.469 1.00 0.00 H new ATOM 195 N TRP A 16 -2.451 3.480 7.650 1.00 0.00 N ATOM 196 CA TRP A 16 -1.380 3.256 6.686 1.00 0.00 C ATOM 197 C TRP A 16 -1.919 2.619 5.410 1.00 0.00 C ATOM 198 O TRP A 16 -1.686 3.118 4.310 1.00 0.00 O ATOM 199 CB TRP A 16 -0.295 2.366 7.296 1.00 0.00 C ATOM 200 CG TRP A 16 0.502 3.049 8.365 1.00 0.00 C ATOM 201 CD1 TRP A 16 1.464 4.002 8.188 1.00 0.00 C ATOM 202 CD2 TRP A 16 0.406 2.831 9.777 1.00 0.00 C ATOM 203 NE1 TRP A 16 1.973 4.388 9.405 1.00 0.00 N ATOM 204 CE2 TRP A 16 1.340 3.685 10.395 1.00 0.00 C ATOM 205 CE3 TRP A 16 -0.379 1.998 10.579 1.00 0.00 C ATOM 206 CZ2 TRP A 16 1.509 3.728 11.777 1.00 0.00 C ATOM 207 CZ3 TRP A 16 -0.210 2.041 11.950 1.00 0.00 C ATOM 208 CH2 TRP A 16 0.727 2.902 12.538 1.00 0.00 C ATOM 0 H TRP A 16 -2.150 3.473 8.625 1.00 0.00 H new ATOM 0 HA TRP A 16 -0.947 4.223 6.431 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -0.760 1.473 7.714 1.00 0.00 H new ATOM 0 HB3 TRP A 16 0.379 2.034 6.506 1.00 0.00 H new ATOM 0 HD1 TRP A 16 1.779 4.395 7.232 1.00 0.00 H new ATOM 0 HE1 TRP A 16 2.704 5.085 9.548 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -1.105 1.333 10.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 2.231 4.390 12.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -0.810 1.400 12.579 1.00 0.00 H new ATOM 0 HH2 TRP A 16 0.834 2.914 13.613 1.00 0.00 H new ATOM 219 N ALA A 17 -2.641 1.514 5.565 1.00 0.00 N ATOM 220 CA ALA A 17 -3.215 0.810 4.425 1.00 0.00 C ATOM 221 C ALA A 17 -3.639 1.788 3.334 1.00 0.00 C ATOM 222 O ALA A 17 -3.112 1.758 2.221 1.00 0.00 O ATOM 223 CB ALA A 17 -4.401 -0.034 4.868 1.00 0.00 C ATOM 0 H ALA A 17 -2.842 1.087 6.469 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.449 0.153 4.012 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.820 -0.554 4.006 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.072 -0.764 5.608 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.162 0.610 5.308 1.00 0.00 H new ATOM 229 N SER A 18 -4.594 2.653 3.659 1.00 0.00 N ATOM 230 CA SER A 18 -5.092 3.637 2.704 1.00 0.00 C ATOM 231 C SER A 18 -3.998 4.633 2.331 1.00 0.00 C ATOM 232 O SER A 18 -3.801 4.945 1.155 1.00 0.00 O ATOM 233 CB SER A 18 -6.296 4.379 3.286 1.00 0.00 C ATOM 234 OG SER A 18 -7.508 3.718 2.962 1.00 0.00 O ATOM 0 H SER A 18 -5.039 2.693 4.576 1.00 0.00 H new ATOM 0 HA SER A 18 -5.401 3.108 1.802 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.195 4.450 4.369 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.320 5.398 2.901 1.00 0.00 H new ATOM 0 HG SER A 18 -8.262 4.211 3.347 1.00 0.00 H new ATOM 240 N LEU A 19 -3.290 5.129 3.339 1.00 0.00 N ATOM 241 CA LEU A 19 -2.215 6.091 3.118 1.00 0.00 C ATOM 242 C LEU A 19 -1.321 5.653 1.963 1.00 0.00 C ATOM 243 O LEU A 19 -0.744 6.484 1.260 1.00 0.00 O ATOM 244 CB LEU A 19 -1.381 6.253 4.390 1.00 0.00 C ATOM 245 CG LEU A 19 -2.049 7.007 5.540 1.00 0.00 C ATOM 246 CD1 LEU A 19 -1.180 6.959 6.787 1.00 0.00 C ATOM 247 CD2 LEU A 19 -2.333 8.448 5.140 1.00 0.00 C ATOM 0 H LEU A 19 -3.440 4.882 4.317 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.665 7.050 2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.102 5.261 4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.457 6.770 4.131 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.998 6.520 5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.672 7.501 7.595 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.029 5.922 7.086 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.215 7.420 6.576 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.809 8.969 5.971 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.397 8.946 4.887 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.997 8.462 4.276 1.00 0.00 H new ATOM 259 N LEU A 20 -1.213 4.343 1.769 1.00 0.00 N ATOM 260 CA LEU A 20 -0.391 3.794 0.696 1.00 0.00 C ATOM 261 C LEU A 20 -0.996 4.106 -0.668 1.00 0.00 C ATOM 262 O LEU A 20 -0.417 4.848 -1.461 1.00 0.00 O ATOM 263 CB LEU A 20 -0.240 2.281 0.866 1.00 0.00 C ATOM 264 CG LEU A 20 0.862 1.818 1.820 1.00 0.00 C ATOM 265 CD1 LEU A 20 0.415 1.971 3.265 1.00 0.00 C ATOM 266 CD2 LEU A 20 1.249 0.376 1.528 1.00 0.00 C ATOM 0 H LEU A 20 -1.684 3.642 2.340 1.00 0.00 H new ATOM 0 HA LEU A 20 0.593 4.260 0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.190 1.879 1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.052 1.843 -0.114 1.00 0.00 H new ATOM 0 HG LEU A 20 1.739 2.446 1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.212 1.637 3.930 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.189 3.018 3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.477 1.368 3.436 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.034 0.064 2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.378 -0.267 1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.612 0.297 0.503 1.00 0.00 H new ATOM 278 N VAL A 21 -2.168 3.536 -0.935 1.00 0.00 N ATOM 279 CA VAL A 21 -2.854 3.756 -2.202 1.00 0.00 C ATOM 280 C VAL A 21 -3.190 5.231 -2.396 1.00 0.00 C ATOM 281 O VAL A 21 -3.535 5.660 -3.497 1.00 0.00 O ATOM 282 CB VAL A 21 -4.151 2.930 -2.288 1.00 0.00 C ATOM 283 CG1 VAL A 21 -3.865 1.458 -2.033 1.00 0.00 C ATOM 284 CG2 VAL A 21 -5.186 3.459 -1.306 1.00 0.00 C ATOM 0 H VAL A 21 -2.661 2.919 -0.290 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.174 3.434 -2.991 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.557 3.027 -3.295 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.793 0.890 -2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.161 1.089 -2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.435 1.338 -1.039 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.096 2.864 -1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.792 3.394 -0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.413 4.499 -1.541 1.00 0.00 H new ATOM 294 N ARG A 22 -3.086 6.003 -1.319 1.00 0.00 N ATOM 295 CA ARG A 22 -3.379 7.430 -1.371 1.00 0.00 C ATOM 296 C ARG A 22 -2.189 8.210 -1.921 1.00 0.00 C ATOM 297 O ARG A 22 -2.356 9.156 -2.690 1.00 0.00 O ATOM 298 CB ARG A 22 -3.742 7.948 0.022 1.00 0.00 C ATOM 299 CG ARG A 22 -5.026 7.353 0.578 1.00 0.00 C ATOM 300 CD ARG A 22 -6.237 8.193 0.204 1.00 0.00 C ATOM 301 NE ARG A 22 -7.456 7.392 0.125 1.00 0.00 N ATOM 302 CZ ARG A 22 -8.538 7.764 -0.549 1.00 0.00 C ATOM 303 NH1 ARG A 22 -8.552 8.919 -1.201 1.00 0.00 N ATOM 304 NH2 ARG A 22 -9.608 6.980 -0.574 1.00 0.00 N ATOM 0 H ARG A 22 -2.801 5.664 -0.400 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.228 7.577 -2.039 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.923 7.728 0.707 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.842 9.033 -0.018 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.153 6.340 0.197 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.954 7.279 1.663 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.371 8.985 0.941 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.059 8.678 -0.756 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.477 6.497 0.615 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.731 9.523 -1.185 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.384 9.203 -1.718 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.600 6.090 -0.075 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.438 7.267 -1.092 1.00 0.00 H new ATOM 318 N GLY A 23 -0.987 7.806 -1.521 1.00 0.00 N ATOM 319 CA GLY A 23 0.213 8.478 -1.984 1.00 0.00 C ATOM 320 C GLY A 23 1.144 8.850 -0.847 1.00 0.00 C ATOM 321 O GLY A 23 2.334 9.084 -1.061 1.00 0.00 O ATOM 0 H GLY A 23 -0.823 7.026 -0.885 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.741 7.831 -2.685 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.066 9.379 -2.530 1.00 0.00 H new ATOM 325 N ILE A 24 0.602 8.906 0.365 1.00 0.00 N ATOM 326 CA ILE A 24 1.393 9.252 1.540 1.00 0.00 C ATOM 327 C ILE A 24 2.458 8.197 1.817 1.00 0.00 C ATOM 328 O ILE A 24 3.654 8.490 1.812 1.00 0.00 O ATOM 329 CB ILE A 24 0.506 9.410 2.789 1.00 0.00 C ATOM 330 CG1 ILE A 24 -0.566 10.476 2.549 1.00 0.00 C ATOM 331 CG2 ILE A 24 1.355 9.768 4.000 1.00 0.00 C ATOM 332 CD1 ILE A 24 -1.843 9.925 1.955 1.00 0.00 C ATOM 0 H ILE A 24 -0.381 8.716 0.559 1.00 0.00 H new ATOM 0 HA ILE A 24 1.877 10.205 1.325 1.00 0.00 H new ATOM 0 HB ILE A 24 0.009 8.460 2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.797 10.967 3.494 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.165 11.240 1.883 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.714 9.876 4.875 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.084 8.978 4.180 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.877 10.707 3.814 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.557 10.736 1.812 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.626 9.459 0.994 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.268 9.182 2.630 1.00 0.00 H new ATOM 344 N LYS A 25 2.016 6.967 2.056 1.00 0.00 N ATOM 345 CA LYS A 25 2.930 5.865 2.332 1.00 0.00 C ATOM 346 C LYS A 25 3.465 5.264 1.036 1.00 0.00 C ATOM 347 O LYS A 25 2.698 4.793 0.197 1.00 0.00 O ATOM 348 CB LYS A 25 2.226 4.785 3.155 1.00 0.00 C ATOM 349 CG LYS A 25 3.177 3.776 3.776 1.00 0.00 C ATOM 350 CD LYS A 25 3.624 4.211 5.162 1.00 0.00 C ATOM 351 CE LYS A 25 3.877 3.015 6.067 1.00 0.00 C ATOM 352 NZ LYS A 25 5.203 2.392 5.804 1.00 0.00 N ATOM 0 H LYS A 25 1.029 6.708 2.064 1.00 0.00 H new ATOM 0 HA LYS A 25 3.771 6.258 2.904 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.648 5.262 3.947 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.517 4.258 2.517 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.688 2.804 3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.049 3.653 3.133 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.533 4.807 5.082 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.862 4.851 5.607 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.824 3.330 7.109 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.092 2.274 5.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.396 1.669 6.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.198 1.948 4.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.943 3.122 5.838 1.00 0.00 H new ATOM 366 N ARG A 26 4.785 5.284 0.880 1.00 0.00 N ATOM 367 CA ARG A 26 5.421 4.740 -0.314 1.00 0.00 C ATOM 368 C ARG A 26 6.249 3.504 0.026 1.00 0.00 C ATOM 369 O ARG A 26 7.032 3.024 -0.793 1.00 0.00 O ATOM 370 CB ARG A 26 6.310 5.798 -0.970 1.00 0.00 C ATOM 371 CG ARG A 26 7.510 6.195 -0.125 1.00 0.00 C ATOM 372 CD ARG A 26 8.705 6.561 -0.991 1.00 0.00 C ATOM 373 NE ARG A 26 8.430 7.715 -1.843 1.00 0.00 N ATOM 374 CZ ARG A 26 9.375 8.517 -2.321 1.00 0.00 C ATOM 375 NH1 ARG A 26 10.649 8.291 -2.033 1.00 0.00 N ATOM 376 NH2 ARG A 26 9.046 9.547 -3.090 1.00 0.00 N ATOM 0 H ARG A 26 5.434 5.671 1.565 1.00 0.00 H new ATOM 0 HA ARG A 26 4.637 4.449 -1.013 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.662 5.420 -1.930 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.712 6.686 -1.176 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.246 7.042 0.509 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.778 5.372 0.538 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.562 6.777 -0.353 1.00 0.00 H new ATOM 0 HD3 ARG A 26 8.977 5.708 -1.613 1.00 0.00 H new ATOM 0 HE ARG A 26 7.460 7.916 -2.084 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.906 7.500 -1.443 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.372 8.908 -2.401 1.00 0.00 H new ATOM 0 HH21 ARG A 26 8.067 9.724 -3.315 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.772 10.162 -3.457 1.00 0.00 H new ATOM 390 N VAL A 27 6.070 2.994 1.241 1.00 0.00 N ATOM 391 CA VAL A 27 6.800 1.814 1.690 1.00 0.00 C ATOM 392 C VAL A 27 5.918 0.917 2.550 1.00 0.00 C ATOM 393 O VAL A 27 4.936 1.373 3.135 1.00 0.00 O ATOM 394 CB VAL A 27 8.056 2.202 2.492 1.00 0.00 C ATOM 395 CG1 VAL A 27 9.003 3.029 1.636 1.00 0.00 C ATOM 396 CG2 VAL A 27 7.669 2.958 3.755 1.00 0.00 C ATOM 0 H VAL A 27 5.426 3.380 1.932 1.00 0.00 H new ATOM 0 HA VAL A 27 7.104 1.270 0.795 1.00 0.00 H new ATOM 0 HB VAL A 27 8.574 1.289 2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.884 3.294 2.220 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.306 2.449 0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.498 3.938 1.309 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.569 3.224 4.310 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.127 3.865 3.485 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.033 2.327 4.376 1.00 0.00 H new ATOM 406 N GLU A 28 6.275 -0.361 2.622 1.00 0.00 N ATOM 407 CA GLU A 28 5.514 -1.323 3.412 1.00 0.00 C ATOM 408 C GLU A 28 6.392 -1.962 4.484 1.00 0.00 C ATOM 409 O GLU A 28 7.546 -2.308 4.233 1.00 0.00 O ATOM 410 CB GLU A 28 4.926 -2.407 2.507 1.00 0.00 C ATOM 411 CG GLU A 28 3.586 -2.939 2.987 1.00 0.00 C ATOM 412 CD GLU A 28 2.708 -3.422 1.848 1.00 0.00 C ATOM 413 OE1 GLU A 28 3.226 -3.573 0.722 1.00 0.00 O ATOM 414 OE2 GLU A 28 1.503 -3.649 2.084 1.00 0.00 O ATOM 0 H GLU A 28 7.085 -0.755 2.144 1.00 0.00 H new ATOM 0 HA GLU A 28 4.701 -0.789 3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.808 -2.004 1.501 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.633 -3.234 2.439 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.754 -3.760 3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.064 -2.156 3.536 1.00 0.00 H new ATOM 421 N GLY A 29 5.836 -2.114 5.682 1.00 0.00 N ATOM 422 CA GLY A 29 6.582 -2.709 6.776 1.00 0.00 C ATOM 423 C GLY A 29 6.186 -4.150 7.030 1.00 0.00 C ATOM 424 O GLY A 29 5.015 -4.447 7.266 1.00 0.00 O ATOM 0 H GLY A 29 4.883 -1.836 5.915 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.648 -2.662 6.553 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.420 -2.125 7.682 1.00 0.00 H new ATOM 428 N ARG A 30 7.164 -5.048 6.982 1.00 0.00 N ATOM 429 CA ARG A 30 6.911 -6.467 7.206 1.00 0.00 C ATOM 430 C ARG A 30 8.125 -7.142 7.837 1.00 0.00 C ATOM 431 O ARG A 30 9.262 -6.719 7.628 1.00 0.00 O ATOM 432 CB ARG A 30 6.558 -7.158 5.888 1.00 0.00 C ATOM 433 CG ARG A 30 5.184 -6.786 5.354 1.00 0.00 C ATOM 434 CD ARG A 30 4.080 -7.518 6.100 1.00 0.00 C ATOM 435 NE ARG A 30 2.753 -7.034 5.727 1.00 0.00 N ATOM 436 CZ ARG A 30 2.136 -6.033 6.346 1.00 0.00 C ATOM 437 NH1 ARG A 30 2.723 -5.415 7.361 1.00 0.00 N ATOM 438 NH2 ARG A 30 0.930 -5.650 5.949 1.00 0.00 N ATOM 0 H ARG A 30 8.139 -4.819 6.790 1.00 0.00 H new ATOM 0 HA ARG A 30 6.069 -6.557 7.892 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.310 -6.903 5.141 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.603 -8.238 6.030 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.036 -5.710 5.446 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.128 -7.026 4.292 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.148 -8.586 5.892 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.223 -7.393 7.173 1.00 0.00 H new ATOM 0 HE ARG A 30 2.274 -7.489 4.950 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.650 -5.707 7.669 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.247 -4.647 7.834 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.476 -6.124 5.168 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.457 -4.882 6.424 1.00 0.00 H new ATOM 452 N SER A 31 7.875 -8.194 8.611 1.00 0.00 N ATOM 453 CA SER A 31 8.947 -8.925 9.276 1.00 0.00 C ATOM 454 C SER A 31 9.502 -10.019 8.370 1.00 0.00 C ATOM 455 O SER A 31 10.155 -10.954 8.835 1.00 0.00 O ATOM 456 CB SER A 31 8.439 -9.538 10.583 1.00 0.00 C ATOM 457 OG SER A 31 7.751 -8.577 11.364 1.00 0.00 O ATOM 0 H SER A 31 6.940 -8.559 8.793 1.00 0.00 H new ATOM 0 HA SER A 31 9.749 -8.222 9.500 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.775 -10.374 10.362 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.279 -9.939 11.151 1.00 0.00 H new ATOM 0 HG SER A 31 7.435 -8.994 12.193 1.00 0.00 H new ATOM 463 N TRP A 32 9.238 -9.895 7.074 1.00 0.00 N ATOM 464 CA TRP A 32 9.711 -10.873 6.101 1.00 0.00 C ATOM 465 C TRP A 32 10.131 -10.191 4.804 1.00 0.00 C ATOM 466 O TRP A 32 9.748 -9.051 4.538 1.00 0.00 O ATOM 467 CB TRP A 32 8.622 -11.909 5.818 1.00 0.00 C ATOM 468 CG TRP A 32 7.247 -11.319 5.739 1.00 0.00 C ATOM 469 CD1 TRP A 32 6.438 -10.985 6.788 1.00 0.00 C ATOM 470 CD2 TRP A 32 6.520 -10.995 4.549 1.00 0.00 C ATOM 471 NE1 TRP A 32 5.251 -10.473 6.321 1.00 0.00 N ATOM 472 CE2 TRP A 32 5.277 -10.467 4.951 1.00 0.00 C ATOM 473 CE3 TRP A 32 6.799 -11.096 3.184 1.00 0.00 C ATOM 474 CZ2 TRP A 32 4.317 -10.046 4.035 1.00 0.00 C ATOM 475 CZ3 TRP A 32 5.844 -10.678 2.276 1.00 0.00 C ATOM 476 CH2 TRP A 32 4.616 -10.157 2.705 1.00 0.00 C ATOM 0 H TRP A 32 8.699 -9.127 6.673 1.00 0.00 H new ATOM 0 HA TRP A 32 10.581 -11.377 6.523 1.00 0.00 H new ATOM 0 HB2 TRP A 32 8.847 -12.415 4.879 1.00 0.00 H new ATOM 0 HB3 TRP A 32 8.640 -12.667 6.601 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.693 -11.105 7.830 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.476 -10.150 6.900 1.00 0.00 H new ATOM 0 HE3 TRP A 32 7.744 -11.494 2.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 3.369 -9.646 4.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 6.048 -10.754 1.218 1.00 0.00 H new ATOM 0 HH2 TRP A 32 3.891 -9.837 1.971 1.00 0.00 H new ATOM 487 N TYR A 33 10.920 -10.895 3.999 1.00 0.00 N ATOM 488 CA TYR A 33 11.393 -10.355 2.730 1.00 0.00 C ATOM 489 C TYR A 33 10.605 -10.939 1.561 1.00 0.00 C ATOM 490 O TYR A 33 10.159 -12.086 1.608 1.00 0.00 O ATOM 491 CB TYR A 33 12.884 -10.649 2.551 1.00 0.00 C ATOM 492 CG TYR A 33 13.521 -9.877 1.418 1.00 0.00 C ATOM 493 CD1 TYR A 33 13.189 -10.144 0.095 1.00 0.00 C ATOM 494 CD2 TYR A 33 14.456 -8.880 1.670 1.00 0.00 C ATOM 495 CE1 TYR A 33 13.770 -9.442 -0.943 1.00 0.00 C ATOM 496 CE2 TYR A 33 15.041 -8.172 0.638 1.00 0.00 C ATOM 497 CZ TYR A 33 14.695 -8.457 -0.667 1.00 0.00 C ATOM 498 OH TYR A 33 15.275 -7.754 -1.697 1.00 0.00 O ATOM 0 H TYR A 33 11.245 -11.840 4.203 1.00 0.00 H new ATOM 0 HA TYR A 33 11.241 -9.276 2.744 1.00 0.00 H new ATOM 0 HB2 TYR A 33 13.406 -10.414 3.478 1.00 0.00 H new ATOM 0 HB3 TYR A 33 13.017 -11.716 2.372 1.00 0.00 H new ATOM 0 HD1 TYR A 33 12.464 -10.914 -0.125 1.00 0.00 H new ATOM 0 HD2 TYR A 33 14.730 -8.655 2.690 1.00 0.00 H new ATOM 0 HE1 TYR A 33 13.501 -9.663 -1.965 1.00 0.00 H new ATOM 0 HE2 TYR A 33 15.765 -7.400 0.851 1.00 0.00 H new ATOM 0 HH TYR A 33 15.235 -6.795 -1.501 1.00 0.00 H new ATOM 508 N THR A 34 10.436 -10.141 0.512 1.00 0.00 N ATOM 509 CA THR A 34 9.702 -10.576 -0.670 1.00 0.00 C ATOM 510 C THR A 34 10.367 -10.075 -1.946 1.00 0.00 C ATOM 511 O THR A 34 10.309 -8.892 -2.282 1.00 0.00 O ATOM 512 CB THR A 34 8.243 -10.083 -0.637 1.00 0.00 C ATOM 513 OG1 THR A 34 7.574 -10.451 -1.849 1.00 0.00 O ATOM 514 CG2 THR A 34 8.186 -8.573 -0.459 1.00 0.00 C ATOM 0 H THR A 34 10.798 -9.189 0.457 1.00 0.00 H new ATOM 0 HA THR A 34 9.710 -11.666 -0.664 1.00 0.00 H new ATOM 0 HB THR A 34 7.743 -10.552 0.210 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.300 -11.391 -1.799 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.146 -8.248 -0.439 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.670 -8.299 0.478 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.701 -8.089 -1.289 1.00 0.00 H new ATOM 522 N PRO A 35 11.014 -10.995 -2.677 1.00 0.00 N ATOM 523 CA PRO A 35 11.702 -10.670 -3.930 1.00 0.00 C ATOM 524 C PRO A 35 10.730 -10.321 -5.052 1.00 0.00 C ATOM 525 O PRO A 35 11.139 -10.074 -6.187 1.00 0.00 O ATOM 526 CB PRO A 35 12.462 -11.957 -4.262 1.00 0.00 C ATOM 527 CG PRO A 35 11.689 -13.037 -3.588 1.00 0.00 C ATOM 528 CD PRO A 35 11.124 -12.424 -2.337 1.00 0.00 C ATOM 0 HA PRO A 35 12.343 -9.795 -3.827 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.514 -12.120 -5.339 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.488 -11.917 -3.896 1.00 0.00 H new ATOM 0 HG2 PRO A 35 10.894 -13.409 -4.234 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.330 -13.886 -3.351 1.00 0.00 H new ATOM 0 HD2 PRO A 35 10.155 -12.852 -2.082 1.00 0.00 H new ATOM 0 HD3 PRO A 35 11.778 -12.584 -1.480 1.00 0.00 H new ATOM 536 N HIS A 36 9.441 -10.301 -4.727 1.00 0.00 N ATOM 537 CA HIS A 36 8.411 -9.980 -5.707 1.00 0.00 C ATOM 538 C HIS A 36 8.554 -8.542 -6.196 1.00 0.00 C ATOM 539 O HIS A 36 8.389 -7.595 -5.427 1.00 0.00 O ATOM 540 CB HIS A 36 7.021 -10.190 -5.105 1.00 0.00 C ATOM 541 CG HIS A 36 5.940 -9.436 -5.816 1.00 0.00 C ATOM 542 ND1 HIS A 36 5.150 -9.998 -6.797 1.00 0.00 N ATOM 543 CD2 HIS A 36 5.518 -8.156 -5.683 1.00 0.00 C ATOM 544 CE1 HIS A 36 4.290 -9.096 -7.237 1.00 0.00 C ATOM 545 NE2 HIS A 36 4.493 -7.970 -6.577 1.00 0.00 N ATOM 0 H HIS A 36 9.086 -10.503 -3.793 1.00 0.00 H new ATOM 0 HA HIS A 36 8.535 -10.649 -6.559 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.783 -11.254 -5.123 1.00 0.00 H new ATOM 0 HB3 HIS A 36 7.037 -9.885 -4.059 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.914 -7.419 -5.001 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.548 -9.253 -8.005 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.973 -7.103 -6.710 1.00 0.00 H new ATOM 553 N ARG A 37 8.864 -8.386 -7.479 1.00 0.00 N ATOM 554 CA ARG A 37 9.032 -7.064 -8.070 1.00 0.00 C ATOM 555 C ARG A 37 8.033 -6.844 -9.202 1.00 0.00 C ATOM 556 O ARG A 37 8.020 -7.584 -10.185 1.00 0.00 O ATOM 557 CB ARG A 37 10.459 -6.893 -8.593 1.00 0.00 C ATOM 558 CG ARG A 37 11.527 -7.119 -7.536 1.00 0.00 C ATOM 559 CD ARG A 37 11.502 -6.028 -6.477 1.00 0.00 C ATOM 560 NE ARG A 37 11.885 -6.533 -5.161 1.00 0.00 N ATOM 561 CZ ARG A 37 13.095 -7.003 -4.879 1.00 0.00 C ATOM 562 NH1 ARG A 37 14.034 -7.032 -5.815 1.00 0.00 N ATOM 563 NH2 ARG A 37 13.368 -7.445 -3.658 1.00 0.00 N ATOM 0 H ARG A 37 9.004 -9.159 -8.129 1.00 0.00 H new ATOM 0 HA ARG A 37 8.846 -6.321 -7.295 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.621 -7.589 -9.416 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.570 -5.888 -9.000 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.374 -8.089 -7.064 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.509 -7.146 -8.009 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.179 -5.225 -6.768 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.502 -5.598 -6.423 1.00 0.00 H new ATOM 0 HE ARG A 37 11.186 -6.524 -4.419 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.828 -6.693 -6.755 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.962 -7.393 -5.595 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.649 -7.424 -2.935 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.297 -7.806 -3.442 1.00 0.00 H new ATOM 577 N GLY A 38 7.197 -5.820 -9.057 1.00 0.00 N ATOM 578 CA GLY A 38 6.206 -5.521 -10.074 1.00 0.00 C ATOM 579 C GLY A 38 4.989 -4.816 -9.508 1.00 0.00 C ATOM 580 O GLY A 38 5.106 -3.751 -8.902 1.00 0.00 O ATOM 0 H GLY A 38 7.189 -5.192 -8.253 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.658 -4.897 -10.845 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.894 -6.447 -10.556 1.00 0.00 H new ATOM 584 N ARG A 39 3.817 -5.410 -9.708 1.00 0.00 N ATOM 585 CA ARG A 39 2.573 -4.831 -9.216 1.00 0.00 C ATOM 586 C ARG A 39 2.067 -5.589 -7.993 1.00 0.00 C ATOM 587 O ARG A 39 2.132 -6.818 -7.940 1.00 0.00 O ATOM 588 CB ARG A 39 1.509 -4.845 -10.315 1.00 0.00 C ATOM 589 CG ARG A 39 0.391 -3.840 -10.093 1.00 0.00 C ATOM 590 CD ARG A 39 -0.916 -4.316 -10.707 1.00 0.00 C ATOM 591 NE ARG A 39 -0.939 -4.134 -12.156 1.00 0.00 N ATOM 592 CZ ARG A 39 -1.699 -4.851 -12.975 1.00 0.00 C ATOM 593 NH1 ARG A 39 -2.496 -5.794 -12.490 1.00 0.00 N ATOM 594 NH2 ARG A 39 -1.665 -4.626 -14.282 1.00 0.00 N ATOM 0 H ARG A 39 3.703 -6.292 -10.207 1.00 0.00 H new ATOM 0 HA ARG A 39 2.772 -3.799 -8.926 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.986 -4.639 -11.273 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.080 -5.845 -10.381 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.254 -3.677 -9.024 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.671 -2.881 -10.529 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.064 -5.370 -10.472 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.747 -3.770 -10.260 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.338 -3.416 -12.561 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.526 -5.970 -11.486 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.079 -6.343 -13.121 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.054 -3.901 -14.659 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.250 -5.178 -14.910 1.00 0.00 H new ATOM 608 N LEU A 40 1.562 -4.850 -7.011 1.00 0.00 N ATOM 609 CA LEU A 40 1.044 -5.452 -5.788 1.00 0.00 C ATOM 610 C LEU A 40 -0.176 -4.690 -5.280 1.00 0.00 C ATOM 611 O LEU A 40 -0.073 -3.532 -4.876 1.00 0.00 O ATOM 612 CB LEU A 40 2.129 -5.477 -4.710 1.00 0.00 C ATOM 613 CG LEU A 40 1.800 -6.272 -3.446 1.00 0.00 C ATOM 614 CD1 LEU A 40 1.811 -7.765 -3.736 1.00 0.00 C ATOM 615 CD2 LEU A 40 2.784 -5.936 -2.334 1.00 0.00 C ATOM 0 H LEU A 40 1.500 -3.832 -7.038 1.00 0.00 H new ATOM 0 HA LEU A 40 0.742 -6.474 -6.015 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.039 -5.888 -5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.351 -4.449 -4.422 1.00 0.00 H new ATOM 0 HG LEU A 40 0.799 -5.994 -3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.575 -8.314 -2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.068 -7.993 -4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.799 -8.059 -4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.535 -6.511 -1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.795 -6.185 -2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.727 -4.871 -2.107 1.00 0.00 H new ATOM 627 N TRP A 41 -1.329 -5.349 -5.303 1.00 0.00 N ATOM 628 CA TRP A 41 -2.569 -4.735 -4.842 1.00 0.00 C ATOM 629 C TRP A 41 -2.578 -4.597 -3.324 1.00 0.00 C ATOM 630 O TRP A 41 -2.325 -5.562 -2.603 1.00 0.00 O ATOM 631 CB TRP A 41 -3.772 -5.562 -5.299 1.00 0.00 C ATOM 632 CG TRP A 41 -3.881 -5.681 -6.789 1.00 0.00 C ATOM 633 CD1 TRP A 41 -3.366 -6.675 -7.571 1.00 0.00 C ATOM 634 CD2 TRP A 41 -4.544 -4.773 -7.675 1.00 0.00 C ATOM 635 NE1 TRP A 41 -3.669 -6.439 -8.890 1.00 0.00 N ATOM 636 CE2 TRP A 41 -4.392 -5.279 -8.981 1.00 0.00 C ATOM 637 CE3 TRP A 41 -5.253 -3.582 -7.493 1.00 0.00 C ATOM 638 CZ2 TRP A 41 -4.922 -4.635 -10.095 1.00 0.00 C ATOM 639 CZ3 TRP A 41 -5.778 -2.944 -8.600 1.00 0.00 C ATOM 640 CH2 TRP A 41 -5.611 -3.471 -9.888 1.00 0.00 C ATOM 0 H TRP A 41 -1.431 -6.308 -5.636 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.635 -3.738 -5.278 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.703 -6.560 -4.866 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.684 -5.109 -4.910 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.803 -7.522 -7.206 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.399 -7.032 -9.675 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.388 -3.168 -6.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -4.794 -5.040 -11.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -6.327 -2.023 -8.471 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -6.034 -2.948 -10.733 1.00 0.00 H new ATOM 651 N ILE A 42 -2.869 -3.392 -2.845 1.00 0.00 N ATOM 652 CA ILE A 42 -2.911 -3.130 -1.412 1.00 0.00 C ATOM 653 C ILE A 42 -4.343 -3.164 -0.889 1.00 0.00 C ATOM 654 O ILE A 42 -5.242 -2.555 -1.469 1.00 0.00 O ATOM 655 CB ILE A 42 -2.284 -1.765 -1.070 1.00 0.00 C ATOM 656 CG1 ILE A 42 -0.834 -1.710 -1.555 1.00 0.00 C ATOM 657 CG2 ILE A 42 -2.358 -1.508 0.427 1.00 0.00 C ATOM 658 CD1 ILE A 42 0.015 -2.856 -1.051 1.00 0.00 C ATOM 0 H ILE A 42 -3.079 -2.582 -3.428 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.332 -3.918 -0.930 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.848 -0.984 -1.581 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.824 -1.713 -2.645 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.387 -0.769 -1.234 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.911 -0.540 0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.400 -1.509 0.745 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.816 -2.290 0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.030 -2.753 -1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.035 -2.842 0.039 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.408 -3.800 -1.394 1.00 0.00 H new ATOM 670 N ALA A 43 -4.548 -3.879 0.213 1.00 0.00 N ATOM 671 CA ALA A 43 -5.870 -3.990 0.817 1.00 0.00 C ATOM 672 C ALA A 43 -5.834 -3.599 2.291 1.00 0.00 C ATOM 673 O ALA A 43 -4.790 -3.675 2.937 1.00 0.00 O ATOM 674 CB ALA A 43 -6.407 -5.404 0.656 1.00 0.00 C ATOM 0 H ALA A 43 -3.815 -4.390 0.705 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.538 -3.300 0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.395 -5.472 1.112 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.479 -5.647 -0.404 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.733 -6.107 1.145 1.00 0.00 H new ATOM 680 N ALA A 44 -6.982 -3.182 2.815 1.00 0.00 N ATOM 681 CA ALA A 44 -7.081 -2.781 4.213 1.00 0.00 C ATOM 682 C ALA A 44 -7.459 -3.964 5.098 1.00 0.00 C ATOM 683 O ALA A 44 -8.522 -4.565 4.930 1.00 0.00 O ATOM 684 CB ALA A 44 -8.096 -1.658 4.369 1.00 0.00 C ATOM 0 H ALA A 44 -7.856 -3.113 2.293 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.103 -2.420 4.532 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.160 -1.368 5.418 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.784 -0.800 3.774 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -9.073 -2.000 4.027 1.00 0.00 H new ATOM 690 N THR A 45 -6.583 -4.297 6.041 1.00 0.00 N ATOM 691 CA THR A 45 -6.824 -5.409 6.951 1.00 0.00 C ATOM 692 C THR A 45 -8.141 -5.234 7.697 1.00 0.00 C ATOM 693 O THR A 45 -8.789 -4.192 7.595 1.00 0.00 O ATOM 694 CB THR A 45 -5.682 -5.556 7.974 1.00 0.00 C ATOM 695 OG1 THR A 45 -5.455 -4.307 8.637 1.00 0.00 O ATOM 696 CG2 THR A 45 -4.401 -6.014 7.294 1.00 0.00 C ATOM 0 H THR A 45 -5.699 -3.811 6.194 1.00 0.00 H new ATOM 0 HA THR A 45 -6.873 -6.311 6.341 1.00 0.00 H new ATOM 0 HB THR A 45 -5.975 -6.309 8.706 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.790 -4.429 9.346 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.609 -6.111 8.037 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.568 -6.979 6.815 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.106 -5.282 6.542 1.00 0.00 H new ATOM 704 N ALA A 46 -8.531 -6.258 8.449 1.00 0.00 N ATOM 705 CA ALA A 46 -9.770 -6.215 9.215 1.00 0.00 C ATOM 706 C ALA A 46 -9.659 -5.242 10.384 1.00 0.00 C ATOM 707 O ALA A 46 -10.667 -4.773 10.913 1.00 0.00 O ATOM 708 CB ALA A 46 -10.130 -7.606 9.716 1.00 0.00 C ATOM 0 H ALA A 46 -8.006 -7.128 8.544 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.563 -5.862 8.556 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.058 -7.558 10.286 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.260 -8.276 8.866 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.330 -7.981 10.355 1.00 0.00 H new ATOM 714 N LYS A 47 -8.428 -4.942 10.783 1.00 0.00 N ATOM 715 CA LYS A 47 -8.184 -4.024 11.890 1.00 0.00 C ATOM 716 C LYS A 47 -8.652 -2.615 11.540 1.00 0.00 C ATOM 717 O LYS A 47 -8.574 -2.192 10.387 1.00 0.00 O ATOM 718 CB LYS A 47 -6.696 -4.006 12.246 1.00 0.00 C ATOM 719 CG LYS A 47 -6.310 -2.880 13.189 1.00 0.00 C ATOM 720 CD LYS A 47 -4.843 -2.513 13.048 1.00 0.00 C ATOM 721 CE LYS A 47 -4.648 -1.358 12.078 1.00 0.00 C ATOM 722 NZ LYS A 47 -3.487 -0.505 12.455 1.00 0.00 N ATOM 0 H LYS A 47 -7.583 -5.321 10.356 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.752 -4.373 12.752 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.429 -4.959 12.703 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.113 -3.917 11.329 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.926 -2.005 12.983 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.514 -3.179 14.217 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.439 -2.242 14.024 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.282 -3.380 12.700 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.499 -1.750 11.072 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.552 -0.750 12.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.262 0.141 11.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.724 0.048 13.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.663 -1.108 12.653 1.00 0.00 H new ATOM 736 N LYS A 48 -9.135 -1.891 12.544 1.00 0.00 N ATOM 737 CA LYS A 48 -9.613 -0.528 12.344 1.00 0.00 C ATOM 738 C LYS A 48 -8.636 0.483 12.937 1.00 0.00 C ATOM 739 O LYS A 48 -8.136 0.320 14.051 1.00 0.00 O ATOM 740 CB LYS A 48 -10.994 -0.351 12.979 1.00 0.00 C ATOM 741 CG LYS A 48 -11.033 -0.698 14.458 1.00 0.00 C ATOM 742 CD LYS A 48 -11.466 -2.137 14.682 1.00 0.00 C ATOM 743 CE LYS A 48 -11.268 -2.560 16.129 1.00 0.00 C ATOM 744 NZ LYS A 48 -10.986 -4.017 16.247 1.00 0.00 N ATOM 0 H LYS A 48 -9.206 -2.226 13.505 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.688 -0.350 11.271 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.315 0.682 12.848 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.711 -0.977 12.449 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.047 -0.542 14.895 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.720 -0.026 14.972 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.515 -2.249 14.410 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.895 -2.796 14.028 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.444 -1.994 16.563 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.161 -2.315 16.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.857 -4.266 17.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.784 -4.558 15.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.120 -4.247 15.719 1.00 0.00 H new ATOM 758 N PRO A 49 -8.357 1.553 12.178 1.00 0.00 N ATOM 759 CA PRO A 49 -7.440 2.612 12.610 1.00 0.00 C ATOM 760 C PRO A 49 -8.014 3.447 13.749 1.00 0.00 C ATOM 761 O PRO A 49 -9.119 3.979 13.646 1.00 0.00 O ATOM 762 CB PRO A 49 -7.270 3.468 11.352 1.00 0.00 C ATOM 763 CG PRO A 49 -8.512 3.233 10.563 1.00 0.00 C ATOM 764 CD PRO A 49 -8.916 1.812 10.841 1.00 0.00 C ATOM 0 HA PRO A 49 -6.505 2.208 12.998 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.154 4.522 11.603 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.383 3.175 10.791 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.299 3.927 10.858 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.333 3.387 9.499 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.999 1.693 10.829 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.511 1.126 10.097 1.00 0.00 H new ATOM 772 N SER A 50 -7.256 3.559 14.835 1.00 0.00 N ATOM 773 CA SER A 50 -7.691 4.327 15.996 1.00 0.00 C ATOM 774 C SER A 50 -7.661 5.823 15.699 1.00 0.00 C ATOM 775 O SER A 50 -6.983 6.287 14.782 1.00 0.00 O ATOM 776 CB SER A 50 -6.802 4.017 17.201 1.00 0.00 C ATOM 777 OG SER A 50 -7.254 2.860 17.884 1.00 0.00 O ATOM 0 H SER A 50 -6.337 3.127 14.935 1.00 0.00 H new ATOM 0 HA SER A 50 -8.717 4.040 16.227 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.774 3.869 16.870 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.798 4.867 17.883 1.00 0.00 H new ATOM 0 HG SER A 50 -6.668 2.682 18.649 1.00 0.00 H new ATOM 783 N PRO A 51 -8.414 6.598 16.493 1.00 0.00 N ATOM 784 CA PRO A 51 -8.491 8.054 16.336 1.00 0.00 C ATOM 785 C PRO A 51 -7.191 8.749 16.727 1.00 0.00 C ATOM 786 O PRO A 51 -7.019 9.943 16.484 1.00 0.00 O ATOM 787 CB PRO A 51 -9.619 8.454 17.291 1.00 0.00 C ATOM 788 CG PRO A 51 -9.645 7.376 18.319 1.00 0.00 C ATOM 789 CD PRO A 51 -9.248 6.113 17.606 1.00 0.00 C ATOM 0 HA PRO A 51 -8.668 8.344 15.300 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.429 9.427 17.743 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.573 8.526 16.769 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.956 7.597 19.134 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.638 7.280 18.759 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.694 5.440 18.260 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.118 5.564 17.247 1.00 0.00 H new ATOM 797 N GLN A 52 -6.280 7.993 17.331 1.00 0.00 N ATOM 798 CA GLN A 52 -4.996 8.538 17.755 1.00 0.00 C ATOM 799 C GLN A 52 -3.929 8.308 16.689 1.00 0.00 C ATOM 800 O GLN A 52 -3.077 9.165 16.456 1.00 0.00 O ATOM 801 CB GLN A 52 -4.559 7.903 19.076 1.00 0.00 C ATOM 802 CG GLN A 52 -5.118 8.605 20.303 1.00 0.00 C ATOM 803 CD GLN A 52 -5.023 10.115 20.205 1.00 0.00 C ATOM 804 OE1 GLN A 52 -3.928 10.603 19.633 1.00 0.00 O flip ATOM 805 NE2 GLN A 52 -5.922 10.834 20.639 1.00 0.00 N flip ATOM 0 H GLN A 52 -6.407 7.002 17.538 1.00 0.00 H new ATOM 0 HA GLN A 52 -5.115 9.612 17.899 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.874 6.860 19.090 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.470 7.908 19.129 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.161 8.318 20.437 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.578 8.267 21.188 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.746 10.416 21.071 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.843 11.848 20.567 1.00 0.00 H new ATOM 814 N GLU A 53 -3.983 7.146 16.045 1.00 0.00 N ATOM 815 CA GLU A 53 -3.020 6.805 15.005 1.00 0.00 C ATOM 816 C GLU A 53 -3.268 7.626 13.743 1.00 0.00 C ATOM 817 O GLU A 53 -2.329 8.070 13.083 1.00 0.00 O ATOM 818 CB GLU A 53 -3.096 5.312 14.679 1.00 0.00 C ATOM 819 CG GLU A 53 -2.370 4.432 15.682 1.00 0.00 C ATOM 820 CD GLU A 53 -3.252 4.022 16.845 1.00 0.00 C ATOM 821 OE1 GLU A 53 -3.483 4.862 17.740 1.00 0.00 O ATOM 822 OE2 GLU A 53 -3.712 2.861 16.860 1.00 0.00 O ATOM 0 H GLU A 53 -4.683 6.426 16.225 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.023 7.038 15.378 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.143 5.011 14.635 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.674 5.143 13.688 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.003 3.539 15.177 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.498 4.964 16.062 1.00 0.00 H new ATOM 829 N VAL A 54 -4.541 7.823 13.413 1.00 0.00 N ATOM 830 CA VAL A 54 -4.914 8.590 12.231 1.00 0.00 C ATOM 831 C VAL A 54 -4.551 10.061 12.393 1.00 0.00 C ATOM 832 O VAL A 54 -3.980 10.674 11.491 1.00 0.00 O ATOM 833 CB VAL A 54 -6.422 8.474 11.939 1.00 0.00 C ATOM 834 CG1 VAL A 54 -6.772 9.189 10.643 1.00 0.00 C ATOM 835 CG2 VAL A 54 -6.842 7.013 11.882 1.00 0.00 C ATOM 0 H VAL A 54 -5.331 7.462 13.948 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.356 8.171 11.394 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.970 8.955 12.750 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.841 9.096 10.454 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.509 10.243 10.727 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.217 8.741 9.819 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.910 6.949 11.675 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.288 6.506 11.092 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.629 6.536 12.838 1.00 0.00 H new ATOM 845 N SER A 55 -4.885 10.624 13.550 1.00 0.00 N ATOM 846 CA SER A 55 -4.598 12.025 13.831 1.00 0.00 C ATOM 847 C SER A 55 -3.094 12.259 13.943 1.00 0.00 C ATOM 848 O SER A 55 -2.570 13.249 13.433 1.00 0.00 O ATOM 849 CB SER A 55 -5.290 12.461 15.124 1.00 0.00 C ATOM 850 OG SER A 55 -5.172 13.860 15.319 1.00 0.00 O ATOM 0 H SER A 55 -5.355 10.130 14.309 1.00 0.00 H new ATOM 0 HA SER A 55 -4.982 12.622 13.003 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.343 12.183 15.088 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.850 11.934 15.971 1.00 0.00 H new ATOM 0 HG SER A 55 -5.624 14.114 16.151 1.00 0.00 H new ATOM 856 N GLU A 56 -2.407 11.340 14.613 1.00 0.00 N ATOM 857 CA GLU A 56 -0.963 11.446 14.792 1.00 0.00 C ATOM 858 C GLU A 56 -0.234 11.244 13.467 1.00 0.00 C ATOM 859 O GLU A 56 0.638 12.032 13.099 1.00 0.00 O ATOM 860 CB GLU A 56 -0.477 10.419 15.817 1.00 0.00 C ATOM 861 CG GLU A 56 -0.727 10.831 17.258 1.00 0.00 C ATOM 862 CD GLU A 56 0.320 10.287 18.210 1.00 0.00 C ATOM 863 OE1 GLU A 56 1.517 10.314 17.856 1.00 0.00 O ATOM 864 OE2 GLU A 56 -0.059 9.833 19.310 1.00 0.00 O ATOM 0 H GLU A 56 -2.826 10.514 15.041 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.741 12.448 15.159 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.974 9.467 15.629 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.591 10.254 15.675 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.742 11.919 17.324 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.711 10.479 17.567 1.00 0.00 H new ATOM 871 N LEU A 57 -0.596 10.182 12.756 1.00 0.00 N ATOM 872 CA LEU A 57 0.023 9.874 11.471 1.00 0.00 C ATOM 873 C LEU A 57 -0.240 10.985 10.460 1.00 0.00 C ATOM 874 O LEU A 57 0.646 11.362 9.693 1.00 0.00 O ATOM 875 CB LEU A 57 -0.505 8.543 10.934 1.00 0.00 C ATOM 876 CG LEU A 57 -0.041 7.289 11.675 1.00 0.00 C ATOM 877 CD1 LEU A 57 -0.805 6.068 11.187 1.00 0.00 C ATOM 878 CD2 LEU A 57 1.457 7.088 11.499 1.00 0.00 C ATOM 0 H LEU A 57 -1.315 9.520 13.047 1.00 0.00 H new ATOM 0 HA LEU A 57 1.099 9.795 11.624 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.594 8.572 10.956 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.210 8.453 9.889 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.247 7.421 12.737 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.462 5.185 11.725 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.871 6.210 11.366 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.631 5.933 10.120 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.769 6.191 12.033 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.687 6.978 10.439 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.989 7.951 11.898 1.00 0.00 H new ATOM 890 N GLN A 58 -1.463 11.506 10.465 1.00 0.00 N ATOM 891 CA GLN A 58 -1.842 12.574 9.549 1.00 0.00 C ATOM 892 C GLN A 58 -0.887 13.758 9.668 1.00 0.00 C ATOM 893 O GLN A 58 -0.449 14.317 8.663 1.00 0.00 O ATOM 894 CB GLN A 58 -3.275 13.030 9.828 1.00 0.00 C ATOM 895 CG GLN A 58 -4.320 12.285 9.014 1.00 0.00 C ATOM 896 CD GLN A 58 -5.737 12.671 9.390 1.00 0.00 C ATOM 897 OE1 GLN A 58 -6.103 12.434 10.644 1.00 0.00 O flip ATOM 898 NE2 GLN A 58 -6.496 13.177 8.562 1.00 0.00 N flip ATOM 0 H GLN A 58 -2.208 11.205 11.094 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.784 12.184 8.533 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.490 12.897 10.888 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.355 14.097 9.618 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.162 12.487 7.955 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.190 11.212 9.157 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.174 13.342 7.608 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.447 13.431 8.830 1.00 0.00 H new ATOM 907 N ALA A 59 -0.569 14.133 10.902 1.00 0.00 N ATOM 908 CA ALA A 59 0.335 15.249 11.152 1.00 0.00 C ATOM 909 C ALA A 59 1.791 14.813 11.033 1.00 0.00 C ATOM 910 O ALA A 59 2.645 15.577 10.582 1.00 0.00 O ATOM 911 CB ALA A 59 0.071 15.844 12.527 1.00 0.00 C ATOM 0 H ALA A 59 -0.924 13.681 11.744 1.00 0.00 H new ATOM 0 HA ALA A 59 0.149 16.012 10.396 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.753 16.676 12.700 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.958 16.201 12.577 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.228 15.081 13.290 1.00 0.00 H new ATOM 917 N THR A 60 2.070 13.578 11.441 1.00 0.00 N ATOM 918 CA THR A 60 3.423 13.041 11.382 1.00 0.00 C ATOM 919 C THR A 60 3.929 12.981 9.945 1.00 0.00 C ATOM 920 O THR A 60 5.014 13.474 9.637 1.00 0.00 O ATOM 921 CB THR A 60 3.496 11.631 11.999 1.00 0.00 C ATOM 922 OG1 THR A 60 3.488 11.721 13.428 1.00 0.00 O ATOM 923 CG2 THR A 60 4.749 10.902 11.538 1.00 0.00 C ATOM 0 H THR A 60 1.376 12.931 11.816 1.00 0.00 H new ATOM 0 HA THR A 60 4.055 13.715 11.959 1.00 0.00 H new ATOM 0 HB THR A 60 2.625 11.067 11.666 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.569 11.849 13.743 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.778 9.909 11.987 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.737 10.809 10.452 1.00 0.00 H new ATOM 0 HG23 THR A 60 5.631 11.465 11.844 1.00 0.00 H new ATOM 931 N TYR A 61 3.136 12.373 9.069 1.00 0.00 N ATOM 932 CA TYR A 61 3.504 12.247 7.664 1.00 0.00 C ATOM 933 C TYR A 61 3.515 13.610 6.979 1.00 0.00 C ATOM 934 O TYR A 61 4.395 13.904 6.170 1.00 0.00 O ATOM 935 CB TYR A 61 2.534 11.310 6.943 1.00 0.00 C ATOM 936 CG TYR A 61 2.933 9.853 7.016 1.00 0.00 C ATOM 937 CD1 TYR A 61 3.872 9.325 6.138 1.00 0.00 C ATOM 938 CD2 TYR A 61 2.370 9.004 7.961 1.00 0.00 C ATOM 939 CE1 TYR A 61 4.239 7.995 6.201 1.00 0.00 C ATOM 940 CE2 TYR A 61 2.732 7.673 8.031 1.00 0.00 C ATOM 941 CZ TYR A 61 3.667 7.173 7.149 1.00 0.00 C ATOM 942 OH TYR A 61 4.029 5.847 7.215 1.00 0.00 O ATOM 0 H TYR A 61 2.234 11.960 9.308 1.00 0.00 H new ATOM 0 HA TYR A 61 4.509 11.827 7.615 1.00 0.00 H new ATOM 0 HB2 TYR A 61 1.540 11.428 7.374 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.465 11.607 5.897 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.322 9.965 5.394 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.637 9.392 8.653 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.970 7.601 5.511 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.285 7.027 8.772 1.00 0.00 H new ATOM 0 HH TYR A 61 3.309 5.332 7.635 1.00 0.00 H new ATOM 952 N ARG A 62 2.531 14.440 7.311 1.00 0.00 N ATOM 953 CA ARG A 62 2.426 15.772 6.728 1.00 0.00 C ATOM 954 C ARG A 62 3.774 16.487 6.760 1.00 0.00 C ATOM 955 O ARG A 62 4.114 17.234 5.842 1.00 0.00 O ATOM 956 CB ARG A 62 1.381 16.599 7.479 1.00 0.00 C ATOM 957 CG ARG A 62 -0.024 16.460 6.916 1.00 0.00 C ATOM 958 CD ARG A 62 -1.061 17.068 7.848 1.00 0.00 C ATOM 959 NE ARG A 62 -2.319 17.345 7.160 1.00 0.00 N ATOM 960 CZ ARG A 62 -3.492 17.426 7.779 1.00 0.00 C ATOM 961 NH1 ARG A 62 -3.566 17.253 9.091 1.00 0.00 N ATOM 962 NH2 ARG A 62 -4.594 17.682 7.085 1.00 0.00 N ATOM 0 H ARG A 62 1.796 14.213 7.980 1.00 0.00 H new ATOM 0 HA ARG A 62 2.116 15.663 5.689 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.375 16.297 8.526 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.672 17.649 7.451 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.077 16.948 5.943 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.250 15.406 6.756 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.245 16.387 8.679 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.669 17.992 8.273 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.296 17.484 6.150 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.721 17.057 9.628 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.468 17.316 9.564 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.541 17.817 6.075 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.494 17.744 7.561 1.00 0.00 H new ATOM 976 N LEU A 63 4.537 16.254 7.822 1.00 0.00 N ATOM 977 CA LEU A 63 5.847 16.876 7.975 1.00 0.00 C ATOM 978 C LEU A 63 6.928 16.041 7.295 1.00 0.00 C ATOM 979 O LEU A 63 8.024 16.531 7.018 1.00 0.00 O ATOM 980 CB LEU A 63 6.181 17.053 9.457 1.00 0.00 C ATOM 981 CG LEU A 63 5.064 17.622 10.333 1.00 0.00 C ATOM 982 CD1 LEU A 63 5.331 17.323 11.800 1.00 0.00 C ATOM 983 CD2 LEU A 63 4.923 19.121 10.110 1.00 0.00 C ATOM 0 H LEU A 63 4.271 15.638 8.590 1.00 0.00 H new ATOM 0 HA LEU A 63 5.814 17.855 7.497 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.475 16.084 9.861 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.048 17.708 9.538 1.00 0.00 H new ATOM 0 HG LEU A 63 4.127 17.142 10.050 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.526 17.736 12.408 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.381 16.244 11.948 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.278 17.775 12.097 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.124 19.509 10.741 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.860 19.616 10.365 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.684 19.312 9.064 1.00 0.00 H new ATOM 995 N LEU A 64 6.612 14.779 7.026 1.00 0.00 N ATOM 996 CA LEU A 64 7.556 13.876 6.375 1.00 0.00 C ATOM 997 C LEU A 64 7.477 14.008 4.858 1.00 0.00 C ATOM 998 O LEU A 64 8.452 13.749 4.151 1.00 0.00 O ATOM 999 CB LEU A 64 7.275 12.431 6.788 1.00 0.00 C ATOM 1000 CG LEU A 64 7.688 12.046 8.210 1.00 0.00 C ATOM 1001 CD1 LEU A 64 7.062 10.718 8.606 1.00 0.00 C ATOM 1002 CD2 LEU A 64 9.203 11.980 8.326 1.00 0.00 C ATOM 0 H LEU A 64 5.710 14.358 7.248 1.00 0.00 H new ATOM 0 HA LEU A 64 8.562 14.150 6.693 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.207 12.244 6.678 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.788 11.769 6.090 1.00 0.00 H new ATOM 0 HG LEU A 64 7.325 12.813 8.894 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.367 10.460 9.620 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.976 10.801 8.563 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.394 9.940 7.919 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.478 11.705 9.344 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.589 11.234 7.631 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.629 12.954 8.086 1.00 0.00 H new ATOM 1014 N ARG A 65 6.313 14.415 4.363 1.00 0.00 N ATOM 1015 CA ARG A 65 6.108 14.583 2.930 1.00 0.00 C ATOM 1016 C ARG A 65 5.646 16.001 2.608 1.00 0.00 C ATOM 1017 O ARG A 65 5.890 16.512 1.516 1.00 0.00 O ATOM 1018 CB ARG A 65 5.080 13.572 2.418 1.00 0.00 C ATOM 1019 CG ARG A 65 5.327 12.153 2.904 1.00 0.00 C ATOM 1020 CD ARG A 65 6.162 11.362 1.910 1.00 0.00 C ATOM 1021 NE ARG A 65 5.506 11.249 0.610 1.00 0.00 N ATOM 1022 CZ ARG A 65 5.727 10.254 -0.241 1.00 0.00 C ATOM 1023 NH1 ARG A 65 6.584 9.290 0.068 1.00 0.00 N ATOM 1024 NH2 ARG A 65 5.091 10.221 -1.405 1.00 0.00 N ATOM 0 H ARG A 65 5.497 14.635 4.934 1.00 0.00 H new ATOM 0 HA ARG A 65 7.061 14.408 2.430 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.085 13.887 2.733 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.087 13.580 1.328 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.836 12.181 3.868 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.373 11.650 3.061 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.131 11.845 1.786 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.351 10.365 2.308 1.00 0.00 H new ATOM 0 HE ARG A 65 4.841 11.974 0.341 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.075 9.312 0.962 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.752 8.527 -0.588 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.431 10.961 -1.647 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.262 9.456 -2.058 1.00 0.00 H new ATOM 1038 N GLY A 66 4.976 16.632 3.569 1.00 0.00 N ATOM 1039 CA GLY A 66 4.490 17.984 3.368 1.00 0.00 C ATOM 1040 C GLY A 66 3.016 18.124 3.691 1.00 0.00 C ATOM 1041 O GLY A 66 2.192 17.342 3.217 1.00 0.00 O ATOM 0 H GLY A 66 4.762 16.231 4.482 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.062 18.669 3.993 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.661 18.278 2.333 1.00 0.00 H new ATOM 1045 N LYS A 67 2.681 19.123 4.501 1.00 0.00 N ATOM 1046 CA LYS A 67 1.296 19.363 4.888 1.00 0.00 C ATOM 1047 C LYS A 67 0.376 19.316 3.672 1.00 0.00 C ATOM 1048 O LYS A 67 -0.836 19.146 3.806 1.00 0.00 O ATOM 1049 CB LYS A 67 1.168 20.720 5.585 1.00 0.00 C ATOM 1050 CG LYS A 67 1.137 21.896 4.626 1.00 0.00 C ATOM 1051 CD LYS A 67 1.274 23.219 5.361 1.00 0.00 C ATOM 1052 CE LYS A 67 2.696 23.435 5.858 1.00 0.00 C ATOM 1053 NZ LYS A 67 2.854 24.756 6.527 1.00 0.00 N ATOM 0 H LYS A 67 3.350 19.780 4.902 1.00 0.00 H new ATOM 0 HA LYS A 67 0.996 18.576 5.580 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.257 20.727 6.184 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.004 20.846 6.274 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.945 21.796 3.901 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.202 21.885 4.066 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.991 24.036 4.698 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.585 23.241 6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.962 22.640 6.555 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.388 23.368 5.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.836 24.866 6.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.625 25.515 5.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.212 24.811 7.343 1.00 0.00 H new ATOM 1067 N ASP A 68 0.959 19.466 2.488 1.00 0.00 N ATOM 1068 CA ASP A 68 0.191 19.437 1.249 1.00 0.00 C ATOM 1069 C ASP A 68 -0.269 18.019 0.927 1.00 0.00 C ATOM 1070 O ASP A 68 -0.875 17.773 -0.116 1.00 0.00 O ATOM 1071 CB ASP A 68 1.027 19.990 0.093 1.00 0.00 C ATOM 1072 CG ASP A 68 1.819 18.910 -0.617 1.00 0.00 C ATOM 1073 OD1 ASP A 68 2.938 18.595 -0.158 1.00 0.00 O ATOM 1074 OD2 ASP A 68 1.320 18.379 -1.631 1.00 0.00 O ATOM 0 H ASP A 68 1.961 19.609 2.360 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.691 20.064 1.383 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.370 20.485 -0.623 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.712 20.748 0.474 1.00 0.00 H new ATOM 1079 N VAL A 69 0.025 17.088 1.829 1.00 0.00 N ATOM 1080 CA VAL A 69 -0.359 15.694 1.642 1.00 0.00 C ATOM 1081 C VAL A 69 -1.874 15.545 1.571 1.00 0.00 C ATOM 1082 O VAL A 69 -2.609 16.527 1.672 1.00 0.00 O ATOM 1083 CB VAL A 69 0.181 14.805 2.778 1.00 0.00 C ATOM 1084 CG1 VAL A 69 1.701 14.848 2.814 1.00 0.00 C ATOM 1085 CG2 VAL A 69 -0.404 15.237 4.115 1.00 0.00 C ATOM 0 H VAL A 69 0.528 17.274 2.697 1.00 0.00 H new ATOM 0 HA VAL A 69 0.079 15.370 0.698 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.125 13.776 2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.064 14.214 3.623 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.098 14.488 1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.032 15.873 2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.012 14.599 4.907 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.129 16.273 4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.490 15.149 4.082 1.00 0.00 H new ATOM 1095 N GLU A 70 -2.335 14.310 1.398 1.00 0.00 N ATOM 1096 CA GLU A 70 -3.764 14.034 1.313 1.00 0.00 C ATOM 1097 C GLU A 70 -4.187 13.025 2.378 1.00 0.00 C ATOM 1098 O GLU A 70 -3.350 12.470 3.090 1.00 0.00 O ATOM 1099 CB GLU A 70 -4.123 13.505 -0.077 1.00 0.00 C ATOM 1100 CG GLU A 70 -3.483 12.166 -0.403 1.00 0.00 C ATOM 1101 CD GLU A 70 -3.657 11.775 -1.857 1.00 0.00 C ATOM 1102 OE1 GLU A 70 -4.673 11.125 -2.181 1.00 0.00 O ATOM 1103 OE2 GLU A 70 -2.776 12.119 -2.673 1.00 0.00 O ATOM 0 H GLU A 70 -1.740 13.486 1.314 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.299 14.967 1.487 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.206 13.408 -0.151 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.817 14.236 -0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.420 12.209 -0.167 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.920 11.395 0.231 1.00 0.00 H new ATOM 1110 N PHE A 71 -5.492 12.793 2.480 1.00 0.00 N ATOM 1111 CA PHE A 71 -6.027 11.853 3.457 1.00 0.00 C ATOM 1112 C PHE A 71 -7.447 11.433 3.088 1.00 0.00 C ATOM 1113 O PHE A 71 -8.271 12.245 2.668 1.00 0.00 O ATOM 1114 CB PHE A 71 -6.014 12.475 4.855 1.00 0.00 C ATOM 1115 CG PHE A 71 -4.632 12.708 5.395 1.00 0.00 C ATOM 1116 CD1 PHE A 71 -3.830 11.641 5.766 1.00 0.00 C ATOM 1117 CD2 PHE A 71 -4.135 13.994 5.532 1.00 0.00 C ATOM 1118 CE1 PHE A 71 -2.557 11.852 6.263 1.00 0.00 C ATOM 1119 CE2 PHE A 71 -2.863 14.211 6.028 1.00 0.00 C ATOM 1120 CZ PHE A 71 -2.074 13.139 6.395 1.00 0.00 C ATOM 0 H PHE A 71 -6.198 13.243 1.898 1.00 0.00 H new ATOM 0 HA PHE A 71 -5.393 10.966 3.455 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.549 13.424 4.827 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.557 11.823 5.539 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.203 10.633 5.666 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.748 14.836 5.248 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.941 11.012 6.548 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.487 15.218 6.128 1.00 0.00 H new ATOM 0 HZ PHE A 71 -1.081 13.307 6.785 1.00 0.00 H new ATOM 1130 N PRO A 72 -7.739 10.134 3.248 1.00 0.00 N ATOM 1131 CA PRO A 72 -9.059 9.576 2.937 1.00 0.00 C ATOM 1132 C PRO A 72 -10.130 10.039 3.919 1.00 0.00 C ATOM 1133 O PRO A 72 -9.827 10.410 5.052 1.00 0.00 O ATOM 1134 CB PRO A 72 -8.842 8.066 3.055 1.00 0.00 C ATOM 1135 CG PRO A 72 -7.691 7.920 3.989 1.00 0.00 C ATOM 1136 CD PRO A 72 -6.805 9.110 3.744 1.00 0.00 C ATOM 0 HA PRO A 72 -9.416 9.894 1.957 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.731 7.567 3.441 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -8.623 7.621 2.085 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.030 7.893 5.025 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.154 6.989 3.804 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.303 9.432 4.656 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.027 8.888 3.014 1.00 0.00 H new ATOM 1144 N ASN A 73 -11.383 10.013 3.477 1.00 0.00 N ATOM 1145 CA ASN A 73 -12.499 10.430 4.318 1.00 0.00 C ATOM 1146 C ASN A 73 -12.783 9.392 5.399 1.00 0.00 C ATOM 1147 O ASN A 73 -13.227 9.729 6.497 1.00 0.00 O ATOM 1148 CB ASN A 73 -13.751 10.652 3.467 1.00 0.00 C ATOM 1149 CG ASN A 73 -14.722 11.623 4.110 1.00 0.00 C ATOM 1150 OD1 ASN A 73 -14.489 12.832 4.128 1.00 0.00 O ATOM 1151 ND2 ASN A 73 -15.819 11.097 4.642 1.00 0.00 N ATOM 0 H ASN A 73 -11.651 9.708 2.541 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.226 11.368 4.802 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -13.459 11.030 2.487 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -14.251 9.697 3.304 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -16.509 11.701 5.088 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -15.971 10.089 4.604 1.00 0.00 H new ATOM 1158 N ASP A 74 -12.524 8.128 5.080 1.00 0.00 N ATOM 1159 CA ASP A 74 -12.750 7.040 6.024 1.00 0.00 C ATOM 1160 C ASP A 74 -11.719 5.933 5.834 1.00 0.00 C ATOM 1161 O ASP A 74 -10.879 6.000 4.936 1.00 0.00 O ATOM 1162 CB ASP A 74 -14.161 6.475 5.855 1.00 0.00 C ATOM 1163 CG ASP A 74 -15.232 7.442 6.319 1.00 0.00 C ATOM 1164 OD1 ASP A 74 -15.438 7.557 7.545 1.00 0.00 O ATOM 1165 OD2 ASP A 74 -15.864 8.085 5.455 1.00 0.00 O ATOM 0 H ASP A 74 -12.158 7.832 4.175 1.00 0.00 H new ATOM 0 HA ASP A 74 -12.645 7.439 7.033 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -14.327 6.229 4.806 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -14.247 5.545 6.418 1.00 0.00 H new ATOM 1170 N TYR A 75 -11.787 4.915 6.686 1.00 0.00 N ATOM 1171 CA TYR A 75 -10.857 3.795 6.614 1.00 0.00 C ATOM 1172 C TYR A 75 -11.594 2.465 6.744 1.00 0.00 C ATOM 1173 O TYR A 75 -11.863 1.981 7.844 1.00 0.00 O ATOM 1174 CB TYR A 75 -9.797 3.913 7.710 1.00 0.00 C ATOM 1175 CG TYR A 75 -8.828 5.053 7.496 1.00 0.00 C ATOM 1176 CD1 TYR A 75 -9.191 6.363 7.783 1.00 0.00 C ATOM 1177 CD2 TYR A 75 -7.549 4.821 7.004 1.00 0.00 C ATOM 1178 CE1 TYR A 75 -8.310 7.409 7.588 1.00 0.00 C ATOM 1179 CE2 TYR A 75 -6.660 5.860 6.807 1.00 0.00 C ATOM 1180 CZ TYR A 75 -7.045 7.152 7.100 1.00 0.00 C ATOM 1181 OH TYR A 75 -6.163 8.190 6.904 1.00 0.00 O ATOM 0 H TYR A 75 -12.477 4.843 7.434 1.00 0.00 H new ATOM 0 HA TYR A 75 -10.368 3.825 5.640 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -10.294 4.045 8.671 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -9.239 2.979 7.766 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -10.180 6.567 8.166 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -7.245 3.811 6.772 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -8.609 8.421 7.816 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -5.669 5.662 6.426 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.316 7.839 6.557 1.00 0.00 H new ATOM 1191 N PRO A 76 -11.929 1.860 5.595 1.00 0.00 N ATOM 1192 CA PRO A 76 -12.638 0.578 5.553 1.00 0.00 C ATOM 1193 C PRO A 76 -11.768 -0.582 6.024 1.00 0.00 C ATOM 1194 O PRO A 76 -10.576 -0.412 6.281 1.00 0.00 O ATOM 1195 CB PRO A 76 -12.990 0.416 4.072 1.00 0.00 C ATOM 1196 CG PRO A 76 -11.965 1.221 3.349 1.00 0.00 C ATOM 1197 CD PRO A 76 -11.640 2.381 4.248 1.00 0.00 C ATOM 0 HA PRO A 76 -13.504 0.570 6.215 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.957 -0.631 3.769 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -13.997 0.777 3.863 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -11.075 0.626 3.143 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -12.347 1.567 2.388 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.598 2.686 4.150 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -12.251 3.253 4.015 1.00 0.00 H new ATOM 1205 N SER A 77 -12.371 -1.761 6.135 1.00 0.00 N ATOM 1206 CA SER A 77 -11.651 -2.949 6.578 1.00 0.00 C ATOM 1207 C SER A 77 -12.125 -4.186 5.821 1.00 0.00 C ATOM 1208 O SER A 77 -13.324 -4.394 5.638 1.00 0.00 O ATOM 1209 CB SER A 77 -11.840 -3.154 8.082 1.00 0.00 C ATOM 1210 OG SER A 77 -13.128 -3.671 8.369 1.00 0.00 O ATOM 0 H SER A 77 -13.356 -1.919 5.924 1.00 0.00 H new ATOM 0 HA SER A 77 -10.592 -2.801 6.369 1.00 0.00 H new ATOM 0 HB2 SER A 77 -11.079 -3.838 8.457 1.00 0.00 H new ATOM 0 HB3 SER A 77 -11.701 -2.206 8.602 1.00 0.00 H new ATOM 0 HG SER A 77 -13.223 -3.795 9.337 1.00 0.00 H new ATOM 1216 N GLY A 78 -11.174 -5.005 5.383 1.00 0.00 N ATOM 1217 CA GLY A 78 -11.512 -6.211 4.650 1.00 0.00 C ATOM 1218 C GLY A 78 -11.990 -5.919 3.241 1.00 0.00 C ATOM 1219 O GLY A 78 -13.036 -6.412 2.818 1.00 0.00 O ATOM 0 H GLY A 78 -10.175 -4.855 5.523 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.639 -6.863 4.606 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -12.289 -6.754 5.189 1.00 0.00 H new ATOM 1223 N CYS A 79 -11.223 -5.114 2.514 1.00 0.00 N ATOM 1224 CA CYS A 79 -11.575 -4.755 1.145 1.00 0.00 C ATOM 1225 C CYS A 79 -10.358 -4.228 0.391 1.00 0.00 C ATOM 1226 O CYS A 79 -9.466 -3.616 0.981 1.00 0.00 O ATOM 1227 CB CYS A 79 -12.687 -3.705 1.140 1.00 0.00 C ATOM 1228 SG CYS A 79 -14.342 -4.381 1.413 1.00 0.00 S ATOM 0 H CYS A 79 -10.354 -4.698 2.849 1.00 0.00 H new ATOM 0 HA CYS A 79 -11.932 -5.653 0.641 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -12.477 -2.965 1.912 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -12.673 -3.181 0.184 1.00 0.00 H new ATOM 0 HG CYS A 79 -14.254 -5.475 2.110 1.00 0.00 H new ATOM 1234 N LEU A 80 -10.327 -4.471 -0.915 1.00 0.00 N ATOM 1235 CA LEU A 80 -9.218 -4.022 -1.750 1.00 0.00 C ATOM 1236 C LEU A 80 -9.305 -2.521 -2.010 1.00 0.00 C ATOM 1237 O LEU A 80 -10.266 -2.038 -2.609 1.00 0.00 O ATOM 1238 CB LEU A 80 -9.214 -4.781 -3.078 1.00 0.00 C ATOM 1239 CG LEU A 80 -7.843 -5.007 -3.717 1.00 0.00 C ATOM 1240 CD1 LEU A 80 -7.996 -5.451 -5.164 1.00 0.00 C ATOM 1241 CD2 LEU A 80 -6.999 -3.744 -3.631 1.00 0.00 C ATOM 0 H LEU A 80 -11.056 -4.976 -1.418 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.289 -4.227 -1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.684 -5.752 -2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.838 -4.236 -3.787 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.333 -5.798 -3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.011 -5.607 -5.603 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.561 -6.382 -5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.526 -4.682 -5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.027 -3.924 -4.091 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.504 -2.933 -4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.861 -3.469 -2.585 1.00 0.00 H new ATOM 1253 N LEU A 81 -8.293 -1.789 -1.557 1.00 0.00 N ATOM 1254 CA LEU A 81 -8.253 -0.342 -1.743 1.00 0.00 C ATOM 1255 C LEU A 81 -7.653 0.017 -3.098 1.00 0.00 C ATOM 1256 O LEU A 81 -8.357 0.471 -3.999 1.00 0.00 O ATOM 1257 CB LEU A 81 -7.442 0.313 -0.624 1.00 0.00 C ATOM 1258 CG LEU A 81 -7.814 -0.094 0.802 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -6.871 0.552 1.806 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -9.257 0.281 1.105 1.00 0.00 C ATOM 0 H LEU A 81 -7.490 -2.173 -1.059 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.276 0.032 -1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.389 0.082 -0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.548 1.394 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.715 -1.176 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.152 0.250 2.815 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.849 0.232 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.936 1.637 1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.504 -0.016 2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.382 1.359 1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.920 -0.230 0.407 1.00 0.00 H new ATOM 1272 N GLY A 82 -6.347 -0.192 -3.236 1.00 0.00 N ATOM 1273 CA GLY A 82 -5.675 0.113 -4.486 1.00 0.00 C ATOM 1274 C GLY A 82 -4.522 -0.829 -4.769 1.00 0.00 C ATOM 1275 O GLY A 82 -4.584 -2.014 -4.438 1.00 0.00 O ATOM 0 H GLY A 82 -5.743 -0.567 -2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.394 0.059 -5.304 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.304 1.137 -4.455 1.00 0.00 H new ATOM 1279 N CYS A 83 -3.468 -0.304 -5.383 1.00 0.00 N ATOM 1280 CA CYS A 83 -2.296 -1.107 -5.713 1.00 0.00 C ATOM 1281 C CYS A 83 -1.048 -0.235 -5.807 1.00 0.00 C ATOM 1282 O CYS A 83 -1.135 0.965 -6.066 1.00 0.00 O ATOM 1283 CB CYS A 83 -2.515 -1.849 -7.032 1.00 0.00 C ATOM 1284 SG CYS A 83 -3.212 -0.824 -8.349 1.00 0.00 S ATOM 0 H CYS A 83 -3.401 0.675 -5.663 1.00 0.00 H new ATOM 0 HA CYS A 83 -2.149 -1.835 -4.915 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -1.562 -2.257 -7.370 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -3.179 -2.695 -6.855 1.00 0.00 H new ATOM 0 HG CYS A 83 -4.263 -1.408 -8.844 1.00 0.00 H new ATOM 1290 N VAL A 84 0.113 -0.847 -5.594 1.00 0.00 N ATOM 1291 CA VAL A 84 1.379 -0.127 -5.654 1.00 0.00 C ATOM 1292 C VAL A 84 2.464 -0.977 -6.305 1.00 0.00 C ATOM 1293 O VAL A 84 2.583 -2.170 -6.027 1.00 0.00 O ATOM 1294 CB VAL A 84 1.849 0.300 -4.251 1.00 0.00 C ATOM 1295 CG1 VAL A 84 0.783 1.138 -3.562 1.00 0.00 C ATOM 1296 CG2 VAL A 84 2.203 -0.920 -3.414 1.00 0.00 C ATOM 0 H VAL A 84 0.202 -1.840 -5.378 1.00 0.00 H new ATOM 0 HA VAL A 84 1.208 0.764 -6.258 1.00 0.00 H new ATOM 0 HB VAL A 84 2.745 0.912 -4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.133 1.430 -2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.583 2.031 -4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.132 0.554 -3.465 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.533 -0.600 -2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.326 -1.560 -3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.004 -1.476 -3.902 1.00 0.00 H new ATOM 1306 N ASP A 85 3.254 -0.355 -7.174 1.00 0.00 N ATOM 1307 CA ASP A 85 4.332 -1.054 -7.864 1.00 0.00 C ATOM 1308 C ASP A 85 5.545 -1.216 -6.954 1.00 0.00 C ATOM 1309 O ASP A 85 6.199 -0.237 -6.593 1.00 0.00 O ATOM 1310 CB ASP A 85 4.728 -0.297 -9.133 1.00 0.00 C ATOM 1311 CG ASP A 85 5.248 -1.219 -10.218 1.00 0.00 C ATOM 1312 OD1 ASP A 85 6.390 -1.707 -10.084 1.00 0.00 O ATOM 1313 OD2 ASP A 85 4.514 -1.452 -11.201 1.00 0.00 O ATOM 0 H ASP A 85 3.168 0.632 -7.417 1.00 0.00 H new ATOM 0 HA ASP A 85 3.972 -2.046 -8.139 1.00 0.00 H new ATOM 0 HB2 ASP A 85 3.865 0.252 -9.509 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.493 0.440 -8.889 1.00 0.00 H new ATOM 1318 N LEU A 86 5.838 -2.458 -6.585 1.00 0.00 N ATOM 1319 CA LEU A 86 6.973 -2.750 -5.715 1.00 0.00 C ATOM 1320 C LEU A 86 8.283 -2.704 -6.495 1.00 0.00 C ATOM 1321 O LEU A 86 8.623 -3.645 -7.212 1.00 0.00 O ATOM 1322 CB LEU A 86 6.801 -4.123 -5.064 1.00 0.00 C ATOM 1323 CG LEU A 86 7.542 -4.338 -3.743 1.00 0.00 C ATOM 1324 CD1 LEU A 86 6.793 -5.328 -2.866 1.00 0.00 C ATOM 1325 CD2 LEU A 86 8.963 -4.818 -4.001 1.00 0.00 C ATOM 0 H LEU A 86 5.306 -3.279 -6.874 1.00 0.00 H new ATOM 0 HA LEU A 86 7.009 -1.988 -4.937 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.738 -4.291 -4.892 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.133 -4.883 -5.772 1.00 0.00 H new ATOM 0 HG LEU A 86 7.592 -3.385 -3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.335 -5.468 -1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.796 -4.943 -2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.710 -6.283 -3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.475 -4.966 -3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.935 -5.760 -4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.498 -4.072 -4.589 1.00 0.00 H new ATOM 1337 N ILE A 87 9.015 -1.605 -6.347 1.00 0.00 N ATOM 1338 CA ILE A 87 10.289 -1.438 -7.035 1.00 0.00 C ATOM 1339 C ILE A 87 11.361 -2.340 -6.432 1.00 0.00 C ATOM 1340 O ILE A 87 12.086 -3.026 -7.152 1.00 0.00 O ATOM 1341 CB ILE A 87 10.772 0.023 -6.979 1.00 0.00 C ATOM 1342 CG1 ILE A 87 10.255 0.706 -5.711 1.00 0.00 C ATOM 1343 CG2 ILE A 87 10.316 0.779 -8.218 1.00 0.00 C ATOM 1344 CD1 ILE A 87 8.914 1.382 -5.893 1.00 0.00 C ATOM 0 H ILE A 87 8.748 -0.817 -5.757 1.00 0.00 H new ATOM 0 HA ILE A 87 10.125 -1.718 -8.076 1.00 0.00 H new ATOM 0 HB ILE A 87 11.862 0.029 -6.954 1.00 0.00 H new ATOM 0 HG12 ILE A 87 10.174 -0.035 -4.916 1.00 0.00 H new ATOM 0 HG13 ILE A 87 10.985 1.447 -5.384 1.00 0.00 H new ATOM 0 HG21 ILE A 87 10.665 1.810 -8.164 1.00 0.00 H new ATOM 0 HG22 ILE A 87 10.728 0.302 -9.107 1.00 0.00 H new ATOM 0 HG23 ILE A 87 9.227 0.767 -8.272 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.609 1.845 -4.954 1.00 0.00 H new ATOM 0 HD12 ILE A 87 8.994 2.147 -6.666 1.00 0.00 H new ATOM 0 HD13 ILE A 87 8.171 0.642 -6.191 1.00 0.00 H new ATOM 1356 N ASP A 88 11.455 -2.334 -5.107 1.00 0.00 N ATOM 1357 CA ASP A 88 12.436 -3.153 -4.406 1.00 0.00 C ATOM 1358 C ASP A 88 12.080 -3.282 -2.928 1.00 0.00 C ATOM 1359 O ASP A 88 11.201 -2.580 -2.428 1.00 0.00 O ATOM 1360 CB ASP A 88 13.834 -2.552 -4.556 1.00 0.00 C ATOM 1361 CG ASP A 88 14.571 -3.094 -5.765 1.00 0.00 C ATOM 1362 OD1 ASP A 88 15.093 -4.226 -5.684 1.00 0.00 O ATOM 1363 OD2 ASP A 88 14.626 -2.387 -6.792 1.00 0.00 O ATOM 0 H ASP A 88 10.863 -1.770 -4.497 1.00 0.00 H new ATOM 0 HA ASP A 88 12.427 -4.148 -4.851 1.00 0.00 H new ATOM 0 HB2 ASP A 88 13.753 -1.468 -4.639 1.00 0.00 H new ATOM 0 HB3 ASP A 88 14.414 -2.760 -3.657 1.00 0.00 H new ATOM 1368 N CYS A 89 12.768 -4.184 -2.236 1.00 0.00 N ATOM 1369 CA CYS A 89 12.523 -4.406 -0.816 1.00 0.00 C ATOM 1370 C CYS A 89 13.820 -4.311 -0.019 1.00 0.00 C ATOM 1371 O CYS A 89 14.614 -5.252 0.011 1.00 0.00 O ATOM 1372 CB CYS A 89 11.876 -5.775 -0.597 1.00 0.00 C ATOM 1373 SG CYS A 89 12.067 -6.422 1.080 1.00 0.00 S ATOM 0 H CYS A 89 13.499 -4.773 -2.635 1.00 0.00 H new ATOM 0 HA CYS A 89 11.843 -3.630 -0.464 1.00 0.00 H new ATOM 0 HB2 CYS A 89 10.813 -5.704 -0.829 1.00 0.00 H new ATOM 0 HB3 CYS A 89 12.309 -6.486 -1.301 1.00 0.00 H new ATOM 0 HG CYS A 89 10.938 -6.319 1.716 1.00 0.00 H new ATOM 1379 N LEU A 90 14.029 -3.168 0.625 1.00 0.00 N ATOM 1380 CA LEU A 90 15.232 -2.948 1.422 1.00 0.00 C ATOM 1381 C LEU A 90 14.980 -3.276 2.890 1.00 0.00 C ATOM 1382 O LEU A 90 13.841 -3.505 3.299 1.00 0.00 O ATOM 1383 CB LEU A 90 15.700 -1.498 1.285 1.00 0.00 C ATOM 1384 CG LEU A 90 16.115 -1.057 -0.119 1.00 0.00 C ATOM 1385 CD1 LEU A 90 16.527 0.407 -0.119 1.00 0.00 C ATOM 1386 CD2 LEU A 90 17.245 -1.931 -0.641 1.00 0.00 C ATOM 0 H LEU A 90 13.382 -2.380 0.611 1.00 0.00 H new ATOM 0 HA LEU A 90 16.012 -3.612 1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 90 14.898 -0.844 1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 90 16.545 -1.345 1.957 1.00 0.00 H new ATOM 0 HG LEU A 90 15.258 -1.172 -0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 90 16.819 0.703 -1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 90 15.689 1.021 0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 90 17.369 0.548 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 90 17.527 -1.602 -1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 90 18.105 -1.849 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 90 16.914 -2.969 -0.680 1.00 0.00 H new ATOM 1398 N SER A 91 16.049 -3.295 3.679 1.00 0.00 N ATOM 1399 CA SER A 91 15.944 -3.596 5.102 1.00 0.00 C ATOM 1400 C SER A 91 16.238 -2.358 5.943 1.00 0.00 C ATOM 1401 O SER A 91 16.711 -1.344 5.429 1.00 0.00 O ATOM 1402 CB SER A 91 16.909 -4.723 5.478 1.00 0.00 C ATOM 1403 OG SER A 91 16.756 -5.092 6.838 1.00 0.00 O ATOM 0 H SER A 91 16.998 -3.105 3.357 1.00 0.00 H new ATOM 0 HA SER A 91 14.923 -3.917 5.306 1.00 0.00 H new ATOM 0 HB2 SER A 91 16.729 -5.588 4.840 1.00 0.00 H new ATOM 0 HB3 SER A 91 17.935 -4.403 5.298 1.00 0.00 H new ATOM 0 HG SER A 91 15.805 -5.077 7.076 1.00 0.00 H new ATOM 1409 N GLN A 92 15.955 -2.448 7.238 1.00 0.00 N ATOM 1410 CA GLN A 92 16.188 -1.335 8.150 1.00 0.00 C ATOM 1411 C GLN A 92 17.564 -0.721 7.919 1.00 0.00 C ATOM 1412 O GLN A 92 17.816 0.424 8.296 1.00 0.00 O ATOM 1413 CB GLN A 92 16.062 -1.803 9.601 1.00 0.00 C ATOM 1414 CG GLN A 92 14.655 -2.232 9.983 1.00 0.00 C ATOM 1415 CD GLN A 92 13.827 -1.090 10.538 1.00 0.00 C ATOM 1416 OE1 GLN A 92 13.004 -0.487 9.688 1.00 0.00 O flip ATOM 1417 NE2 GLN A 92 13.926 -0.752 11.718 1.00 0.00 N flip ATOM 0 H GLN A 92 15.564 -3.280 7.679 1.00 0.00 H new ATOM 0 HA GLN A 92 15.433 -0.573 7.954 1.00 0.00 H new ATOM 0 HB2 GLN A 92 16.744 -2.637 9.765 1.00 0.00 H new ATOM 0 HB3 GLN A 92 16.379 -0.997 10.263 1.00 0.00 H new ATOM 0 HG2 GLN A 92 14.155 -2.646 9.107 1.00 0.00 H new ATOM 0 HG3 GLN A 92 14.711 -3.029 10.725 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.571 -1.243 12.337 1.00 0.00 H new ATOM 0 HE22 GLN A 92 13.363 0.019 12.077 1.00 0.00 H new ATOM 1426 N LYS A 93 18.453 -1.488 7.297 1.00 0.00 N ATOM 1427 CA LYS A 93 19.804 -1.020 7.014 1.00 0.00 C ATOM 1428 C LYS A 93 19.865 -0.322 5.659 1.00 0.00 C ATOM 1429 O LYS A 93 20.206 0.857 5.573 1.00 0.00 O ATOM 1430 CB LYS A 93 20.788 -2.192 7.040 1.00 0.00 C ATOM 1431 CG LYS A 93 22.169 -1.839 6.515 1.00 0.00 C ATOM 1432 CD LYS A 93 23.063 -3.065 6.429 1.00 0.00 C ATOM 1433 CE LYS A 93 22.746 -3.900 5.198 1.00 0.00 C ATOM 1434 NZ LYS A 93 23.781 -4.942 4.953 1.00 0.00 N ATOM 0 H LYS A 93 18.261 -2.438 6.979 1.00 0.00 H new ATOM 0 HA LYS A 93 20.082 -0.303 7.786 1.00 0.00 H new ATOM 0 HB2 LYS A 93 20.880 -2.556 8.063 1.00 0.00 H new ATOM 0 HB3 LYS A 93 20.381 -3.010 6.446 1.00 0.00 H new ATOM 0 HG2 LYS A 93 22.079 -1.383 5.529 1.00 0.00 H new ATOM 0 HG3 LYS A 93 22.629 -1.097 7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 93 24.107 -2.754 6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 93 22.936 -3.673 7.325 1.00 0.00 H new ATOM 0 HE2 LYS A 93 21.774 -4.376 5.323 1.00 0.00 H new ATOM 0 HE3 LYS A 93 22.673 -3.249 4.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 23.529 -5.490 4.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 24.705 -4.487 4.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 23.834 -5.579 5.774 1.00 0.00 H new ATOM 1448 N GLN A 94 19.532 -1.058 4.603 1.00 0.00 N ATOM 1449 CA GLN A 94 19.549 -0.508 3.253 1.00 0.00 C ATOM 1450 C GLN A 94 18.442 0.526 3.073 1.00 0.00 C ATOM 1451 O GLN A 94 18.688 1.639 2.607 1.00 0.00 O ATOM 1452 CB GLN A 94 19.391 -1.627 2.222 1.00 0.00 C ATOM 1453 CG GLN A 94 20.407 -2.747 2.378 1.00 0.00 C ATOM 1454 CD GLN A 94 20.748 -3.413 1.060 1.00 0.00 C ATOM 1455 OE1 GLN A 94 20.193 -4.458 0.718 1.00 0.00 O ATOM 1456 NE2 GLN A 94 21.666 -2.812 0.313 1.00 0.00 N ATOM 0 H GLN A 94 19.247 -2.036 4.657 1.00 0.00 H new ATOM 0 HA GLN A 94 20.509 -0.016 3.100 1.00 0.00 H new ATOM 0 HB2 GLN A 94 18.387 -2.045 2.302 1.00 0.00 H new ATOM 0 HB3 GLN A 94 19.481 -1.203 1.222 1.00 0.00 H new ATOM 0 HG2 GLN A 94 21.317 -2.347 2.825 1.00 0.00 H new ATOM 0 HG3 GLN A 94 20.015 -3.494 3.068 1.00 0.00 H new ATOM 0 HE21 GLN A 94 22.100 -1.947 0.636 1.00 0.00 H new ATOM 0 HE22 GLN A 94 21.937 -3.215 -0.584 1.00 0.00 H new ATOM 1465 N PHE A 95 17.222 0.150 3.443 1.00 0.00 N ATOM 1466 CA PHE A 95 16.077 1.045 3.321 1.00 0.00 C ATOM 1467 C PHE A 95 16.463 2.475 3.686 1.00 0.00 C ATOM 1468 O PHE A 95 16.274 3.402 2.899 1.00 0.00 O ATOM 1469 CB PHE A 95 14.933 0.568 4.218 1.00 0.00 C ATOM 1470 CG PHE A 95 13.736 1.476 4.196 1.00 0.00 C ATOM 1471 CD1 PHE A 95 13.099 1.775 3.003 1.00 0.00 C ATOM 1472 CD2 PHE A 95 13.248 2.029 5.369 1.00 0.00 C ATOM 1473 CE1 PHE A 95 11.998 2.610 2.980 1.00 0.00 C ATOM 1474 CE2 PHE A 95 12.148 2.865 5.352 1.00 0.00 C ATOM 1475 CZ PHE A 95 11.521 3.155 4.156 1.00 0.00 C ATOM 0 H PHE A 95 17.001 -0.768 3.830 1.00 0.00 H new ATOM 0 HA PHE A 95 15.745 1.031 2.283 1.00 0.00 H new ATOM 0 HB2 PHE A 95 14.628 -0.430 3.904 1.00 0.00 H new ATOM 0 HB3 PHE A 95 15.296 0.483 5.242 1.00 0.00 H new ATOM 0 HD1 PHE A 95 13.467 1.351 2.080 1.00 0.00 H new ATOM 0 HD2 PHE A 95 13.733 1.804 6.307 1.00 0.00 H new ATOM 0 HE1 PHE A 95 11.511 2.836 2.043 1.00 0.00 H new ATOM 0 HE2 PHE A 95 11.779 3.291 6.273 1.00 0.00 H new ATOM 0 HZ PHE A 95 10.660 3.806 4.140 1.00 0.00 H new ATOM 1485 N LYS A 96 17.004 2.647 4.887 1.00 0.00 N ATOM 1486 CA LYS A 96 17.418 3.963 5.359 1.00 0.00 C ATOM 1487 C LYS A 96 18.621 4.470 4.571 1.00 0.00 C ATOM 1488 O LYS A 96 18.636 5.612 4.112 1.00 0.00 O ATOM 1489 CB LYS A 96 17.758 3.909 6.851 1.00 0.00 C ATOM 1490 CG LYS A 96 19.103 3.268 7.145 1.00 0.00 C ATOM 1491 CD LYS A 96 19.427 3.307 8.629 1.00 0.00 C ATOM 1492 CE LYS A 96 20.220 4.552 8.994 1.00 0.00 C ATOM 1493 NZ LYS A 96 21.509 4.625 8.253 1.00 0.00 N ATOM 0 H LYS A 96 17.166 1.891 5.552 1.00 0.00 H new ATOM 0 HA LYS A 96 16.589 4.654 5.206 1.00 0.00 H new ATOM 0 HB2 LYS A 96 17.752 4.922 7.253 1.00 0.00 H new ATOM 0 HB3 LYS A 96 16.978 3.354 7.373 1.00 0.00 H new ATOM 0 HG2 LYS A 96 19.097 2.234 6.800 1.00 0.00 H new ATOM 0 HG3 LYS A 96 19.883 3.786 6.588 1.00 0.00 H new ATOM 0 HD2 LYS A 96 18.502 3.282 9.205 1.00 0.00 H new ATOM 0 HD3 LYS A 96 19.997 2.419 8.902 1.00 0.00 H new ATOM 0 HE2 LYS A 96 19.625 5.439 8.776 1.00 0.00 H new ATOM 0 HE3 LYS A 96 20.417 4.556 10.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 22.213 5.127 8.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 21.849 3.663 8.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 21.367 5.136 7.358 1.00 0.00 H new ATOM 1507 N GLU A 97 19.626 3.614 4.418 1.00 0.00 N ATOM 1508 CA GLU A 97 20.833 3.977 3.684 1.00 0.00 C ATOM 1509 C GLU A 97 20.482 4.652 2.360 1.00 0.00 C ATOM 1510 O GLU A 97 20.882 5.788 2.107 1.00 0.00 O ATOM 1511 CB GLU A 97 21.692 2.738 3.425 1.00 0.00 C ATOM 1512 CG GLU A 97 22.663 2.424 4.551 1.00 0.00 C ATOM 1513 CD GLU A 97 23.928 1.748 4.059 1.00 0.00 C ATOM 1514 OE1 GLU A 97 23.902 0.517 3.853 1.00 0.00 O ATOM 1515 OE2 GLU A 97 24.944 2.452 3.880 1.00 0.00 O ATOM 0 H GLU A 97 19.629 2.665 4.792 1.00 0.00 H new ATOM 0 HA GLU A 97 21.399 4.682 4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 97 21.039 1.879 3.270 1.00 0.00 H new ATOM 0 HB3 GLU A 97 22.254 2.882 2.502 1.00 0.00 H new ATOM 0 HG2 GLU A 97 22.926 3.347 5.067 1.00 0.00 H new ATOM 0 HG3 GLU A 97 22.172 1.780 5.280 1.00 0.00 H new ATOM 1522 N GLN A 98 19.735 3.943 1.521 1.00 0.00 N ATOM 1523 CA GLN A 98 19.332 4.472 0.224 1.00 0.00 C ATOM 1524 C GLN A 98 18.198 5.481 0.376 1.00 0.00 C ATOM 1525 O GLN A 98 18.275 6.598 -0.137 1.00 0.00 O ATOM 1526 CB GLN A 98 18.897 3.335 -0.702 1.00 0.00 C ATOM 1527 CG GLN A 98 19.614 2.022 -0.431 1.00 0.00 C ATOM 1528 CD GLN A 98 19.444 1.021 -1.557 1.00 0.00 C ATOM 1529 OE1 GLN A 98 18.705 1.263 -2.512 1.00 0.00 O ATOM 1530 NE2 GLN A 98 20.128 -0.112 -1.450 1.00 0.00 N ATOM 0 H GLN A 98 19.397 3.001 1.716 1.00 0.00 H new ATOM 0 HA GLN A 98 20.191 4.980 -0.215 1.00 0.00 H new ATOM 0 HB2 GLN A 98 17.823 3.182 -0.596 1.00 0.00 H new ATOM 0 HB3 GLN A 98 19.076 3.631 -1.736 1.00 0.00 H new ATOM 0 HG2 GLN A 98 20.676 2.217 -0.280 1.00 0.00 H new ATOM 0 HG3 GLN A 98 19.235 1.590 0.495 1.00 0.00 H new ATOM 0 HE21 GLN A 98 20.729 -0.271 -0.641 1.00 0.00 H new ATOM 0 HE22 GLN A 98 20.053 -0.824 -2.177 1.00 0.00 H new ATOM 1539 N PHE A 99 17.147 5.081 1.083 1.00 0.00 N ATOM 1540 CA PHE A 99 15.997 5.950 1.302 1.00 0.00 C ATOM 1541 C PHE A 99 15.921 6.396 2.759 1.00 0.00 C ATOM 1542 O PHE A 99 15.017 6.017 3.504 1.00 0.00 O ATOM 1543 CB PHE A 99 14.705 5.230 0.909 1.00 0.00 C ATOM 1544 CG PHE A 99 14.720 4.693 -0.494 1.00 0.00 C ATOM 1545 CD1 PHE A 99 15.389 3.517 -0.792 1.00 0.00 C ATOM 1546 CD2 PHE A 99 14.067 5.366 -1.514 1.00 0.00 C ATOM 1547 CE1 PHE A 99 15.405 3.020 -2.082 1.00 0.00 C ATOM 1548 CE2 PHE A 99 14.079 4.873 -2.805 1.00 0.00 C ATOM 1549 CZ PHE A 99 14.750 3.700 -3.090 1.00 0.00 C ATOM 0 H PHE A 99 17.068 4.160 1.514 1.00 0.00 H new ATOM 0 HA PHE A 99 16.117 6.834 0.676 1.00 0.00 H new ATOM 0 HB2 PHE A 99 14.532 4.407 1.602 1.00 0.00 H new ATOM 0 HB3 PHE A 99 13.867 5.919 1.017 1.00 0.00 H new ATOM 0 HD1 PHE A 99 15.904 2.982 -0.008 1.00 0.00 H new ATOM 0 HD2 PHE A 99 13.543 6.285 -1.298 1.00 0.00 H new ATOM 0 HE1 PHE A 99 15.929 2.101 -2.301 1.00 0.00 H new ATOM 0 HE2 PHE A 99 13.564 5.405 -3.591 1.00 0.00 H new ATOM 0 HZ PHE A 99 14.762 3.315 -4.099 1.00 0.00 H new ATOM 1559 N PRO A 100 16.893 7.219 3.177 1.00 0.00 N ATOM 1560 CA PRO A 100 16.960 7.735 4.547 1.00 0.00 C ATOM 1561 C PRO A 100 15.850 8.737 4.844 1.00 0.00 C ATOM 1562 O PRO A 100 15.589 9.064 6.002 1.00 0.00 O ATOM 1563 CB PRO A 100 18.328 8.421 4.602 1.00 0.00 C ATOM 1564 CG PRO A 100 18.625 8.787 3.189 1.00 0.00 C ATOM 1565 CD PRO A 100 18.003 7.711 2.343 1.00 0.00 C ATOM 0 HA PRO A 100 16.834 6.944 5.286 1.00 0.00 H new ATOM 0 HB2 PRO A 100 18.303 9.303 5.243 1.00 0.00 H new ATOM 0 HB3 PRO A 100 19.089 7.754 5.007 1.00 0.00 H new ATOM 0 HG2 PRO A 100 18.210 9.765 2.944 1.00 0.00 H new ATOM 0 HG3 PRO A 100 19.700 8.845 3.019 1.00 0.00 H new ATOM 0 HD2 PRO A 100 17.646 8.104 1.391 1.00 0.00 H new ATOM 0 HD3 PRO A 100 18.715 6.918 2.114 1.00 0.00 H new ATOM 1573 N ASP A 101 15.199 9.221 3.792 1.00 0.00 N ATOM 1574 CA ASP A 101 14.115 10.185 3.940 1.00 0.00 C ATOM 1575 C ASP A 101 12.859 9.511 4.485 1.00 0.00 C ATOM 1576 O ASP A 101 11.997 10.165 5.072 1.00 0.00 O ATOM 1577 CB ASP A 101 13.809 10.852 2.598 1.00 0.00 C ATOM 1578 CG ASP A 101 14.751 12.001 2.295 1.00 0.00 C ATOM 1579 OD1 ASP A 101 15.957 11.873 2.590 1.00 0.00 O ATOM 1580 OD2 ASP A 101 14.281 13.029 1.764 1.00 0.00 O ATOM 0 H ASP A 101 15.403 8.961 2.827 1.00 0.00 H new ATOM 0 HA ASP A 101 14.435 10.947 4.651 1.00 0.00 H new ATOM 0 HB2 ASP A 101 13.878 10.110 1.803 1.00 0.00 H new ATOM 0 HB3 ASP A 101 12.783 11.219 2.604 1.00 0.00 H new ATOM 1585 N ILE A 102 12.762 8.201 4.284 1.00 0.00 N ATOM 1586 CA ILE A 102 11.612 7.439 4.755 1.00 0.00 C ATOM 1587 C ILE A 102 12.041 6.329 5.708 1.00 0.00 C ATOM 1588 O ILE A 102 11.272 5.412 5.995 1.00 0.00 O ATOM 1589 CB ILE A 102 10.829 6.820 3.582 1.00 0.00 C ATOM 1590 CG1 ILE A 102 11.791 6.352 2.489 1.00 0.00 C ATOM 1591 CG2 ILE A 102 9.831 7.824 3.023 1.00 0.00 C ATOM 1592 CD1 ILE A 102 11.095 5.728 1.299 1.00 0.00 C ATOM 0 H ILE A 102 13.466 7.645 3.798 1.00 0.00 H new ATOM 0 HA ILE A 102 10.965 8.138 5.284 1.00 0.00 H new ATOM 0 HB ILE A 102 10.277 5.955 3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 102 12.383 7.202 2.149 1.00 0.00 H new ATOM 0 HG13 ILE A 102 12.487 5.628 2.914 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.285 7.372 2.195 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.129 8.113 3.805 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.363 8.707 2.668 1.00 0.00 H new ATOM 0 HD11 ILE A 102 11.838 5.419 0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.525 4.858 1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 102 10.420 6.456 0.849 1.00 0.00 H new ATOM 1604 N SER A 103 13.274 6.420 6.197 1.00 0.00 N ATOM 1605 CA SER A 103 13.806 5.422 7.117 1.00 0.00 C ATOM 1606 C SER A 103 12.906 5.275 8.340 1.00 0.00 C ATOM 1607 O SER A 103 12.975 4.278 9.058 1.00 0.00 O ATOM 1608 CB SER A 103 15.221 5.804 7.554 1.00 0.00 C ATOM 1609 OG SER A 103 15.197 6.874 8.483 1.00 0.00 O ATOM 0 H SER A 103 13.923 7.174 5.971 1.00 0.00 H new ATOM 0 HA SER A 103 13.840 4.465 6.596 1.00 0.00 H new ATOM 0 HB2 SER A 103 15.712 4.940 8.002 1.00 0.00 H new ATOM 0 HB3 SER A 103 15.810 6.089 6.682 1.00 0.00 H new ATOM 0 HG SER A 103 16.114 7.098 8.748 1.00 0.00 H new ATOM 1615 N GLN A 104 12.062 6.276 8.569 1.00 0.00 N ATOM 1616 CA GLN A 104 11.148 6.259 9.706 1.00 0.00 C ATOM 1617 C GLN A 104 9.759 5.795 9.280 1.00 0.00 C ATOM 1618 O GLN A 104 9.037 5.173 10.059 1.00 0.00 O ATOM 1619 CB GLN A 104 11.063 7.648 10.339 1.00 0.00 C ATOM 1620 CG GLN A 104 10.859 8.766 9.329 1.00 0.00 C ATOM 1621 CD GLN A 104 9.565 8.622 8.553 1.00 0.00 C ATOM 1622 OE1 GLN A 104 9.540 8.775 7.331 1.00 0.00 O ATOM 1623 NE2 GLN A 104 8.481 8.324 9.259 1.00 0.00 N ATOM 0 H GLN A 104 11.992 7.108 7.983 1.00 0.00 H new ATOM 0 HA GLN A 104 11.536 5.555 10.442 1.00 0.00 H new ATOM 0 HB2 GLN A 104 10.241 7.662 11.055 1.00 0.00 H new ATOM 0 HB3 GLN A 104 11.978 7.839 10.900 1.00 0.00 H new ATOM 0 HG2 GLN A 104 10.862 9.724 9.848 1.00 0.00 H new ATOM 0 HG3 GLN A 104 11.697 8.778 8.632 1.00 0.00 H new ATOM 0 HE21 GLN A 104 8.547 8.206 10.270 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.582 8.213 8.790 1.00 0.00 H new ATOM 1632 N GLU A 105 9.392 6.103 8.040 1.00 0.00 N ATOM 1633 CA GLU A 105 8.088 5.718 7.513 1.00 0.00 C ATOM 1634 C GLU A 105 7.777 4.261 7.840 1.00 0.00 C ATOM 1635 O GLU A 105 6.614 3.875 7.963 1.00 0.00 O ATOM 1636 CB GLU A 105 8.042 5.933 5.998 1.00 0.00 C ATOM 1637 CG GLU A 105 7.644 7.343 5.596 1.00 0.00 C ATOM 1638 CD GLU A 105 6.962 7.392 4.242 1.00 0.00 C ATOM 1639 OE1 GLU A 105 6.494 6.334 3.774 1.00 0.00 O ATOM 1640 OE2 GLU A 105 6.897 8.491 3.651 1.00 0.00 O ATOM 0 H GLU A 105 9.978 6.617 7.383 1.00 0.00 H new ATOM 0 HA GLU A 105 7.334 6.347 7.986 1.00 0.00 H new ATOM 0 HB2 GLU A 105 9.022 5.707 5.577 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.337 5.227 5.560 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.976 7.757 6.351 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.532 7.975 5.575 1.00 0.00 H new ATOM 1647 N SER A 106 8.825 3.455 7.981 1.00 0.00 N ATOM 1648 CA SER A 106 8.665 2.039 8.289 1.00 0.00 C ATOM 1649 C SER A 106 9.627 1.612 9.394 1.00 0.00 C ATOM 1650 O SER A 106 10.747 2.115 9.486 1.00 0.00 O ATOM 1651 CB SER A 106 8.900 1.193 7.037 1.00 0.00 C ATOM 1652 OG SER A 106 7.690 0.977 6.333 1.00 0.00 O ATOM 0 H SER A 106 9.794 3.759 7.887 1.00 0.00 H new ATOM 0 HA SER A 106 7.645 1.881 8.638 1.00 0.00 H new ATOM 0 HB2 SER A 106 9.619 1.692 6.387 1.00 0.00 H new ATOM 0 HB3 SER A 106 9.337 0.235 7.318 1.00 0.00 H new ATOM 0 HG SER A 106 7.666 0.056 5.999 1.00 0.00 H new ATOM 1658 N ASP A 107 9.181 0.682 10.231 1.00 0.00 N ATOM 1659 CA ASP A 107 10.001 0.185 11.329 1.00 0.00 C ATOM 1660 C ASP A 107 10.417 -1.263 11.086 1.00 0.00 C ATOM 1661 O ASP A 107 11.521 -1.671 11.445 1.00 0.00 O ATOM 1662 CB ASP A 107 9.241 0.294 12.652 1.00 0.00 C ATOM 1663 CG ASP A 107 9.763 -0.667 13.701 1.00 0.00 C ATOM 1664 OD1 ASP A 107 10.707 -0.295 14.429 1.00 0.00 O ATOM 1665 OD2 ASP A 107 9.228 -1.792 13.794 1.00 0.00 O ATOM 0 H ASP A 107 8.256 0.257 10.170 1.00 0.00 H new ATOM 0 HA ASP A 107 10.900 0.798 11.383 1.00 0.00 H new ATOM 0 HB2 ASP A 107 9.317 1.314 13.028 1.00 0.00 H new ATOM 0 HB3 ASP A 107 8.183 0.097 12.477 1.00 0.00 H new ATOM 1670 N SER A 108 9.525 -2.034 10.474 1.00 0.00 N ATOM 1671 CA SER A 108 9.797 -3.438 10.186 1.00 0.00 C ATOM 1672 C SER A 108 11.221 -3.620 9.670 1.00 0.00 C ATOM 1673 O SER A 108 11.873 -2.676 9.224 1.00 0.00 O ATOM 1674 CB SER A 108 8.797 -3.973 9.159 1.00 0.00 C ATOM 1675 OG SER A 108 7.665 -4.539 9.797 1.00 0.00 O ATOM 0 H SER A 108 8.607 -1.711 10.168 1.00 0.00 H new ATOM 0 HA SER A 108 9.690 -4.001 11.113 1.00 0.00 H new ATOM 0 HB2 SER A 108 8.481 -3.165 8.500 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.280 -4.724 8.534 1.00 0.00 H new ATOM 0 HG SER A 108 6.884 -3.966 9.647 1.00 0.00 H new ATOM 1681 N PRO A 109 11.716 -4.865 9.730 1.00 0.00 N ATOM 1682 CA PRO A 109 13.067 -5.203 9.273 1.00 0.00 C ATOM 1683 C PRO A 109 13.205 -5.117 7.757 1.00 0.00 C ATOM 1684 O PRO A 109 14.140 -4.504 7.242 1.00 0.00 O ATOM 1685 CB PRO A 109 13.252 -6.647 9.745 1.00 0.00 C ATOM 1686 CG PRO A 109 11.869 -7.193 9.841 1.00 0.00 C ATOM 1687 CD PRO A 109 10.995 -6.040 10.249 1.00 0.00 C ATOM 0 HA PRO A 109 13.814 -4.513 9.666 1.00 0.00 H new ATOM 0 HB2 PRO A 109 13.856 -7.220 9.041 1.00 0.00 H new ATOM 0 HB3 PRO A 109 13.761 -6.687 10.708 1.00 0.00 H new ATOM 0 HG2 PRO A 109 11.546 -7.608 8.886 1.00 0.00 H new ATOM 0 HG3 PRO A 109 11.818 -7.999 10.573 1.00 0.00 H new ATOM 0 HD2 PRO A 109 9.997 -6.121 9.819 1.00 0.00 H new ATOM 0 HD3 PRO A 109 10.873 -5.991 11.331 1.00 0.00 H new ATOM 1695 N PHE A 110 12.266 -5.734 7.046 1.00 0.00 N ATOM 1696 CA PHE A 110 12.283 -5.727 5.588 1.00 0.00 C ATOM 1697 C PHE A 110 11.201 -4.804 5.036 1.00 0.00 C ATOM 1698 O PHE A 110 10.019 -5.150 5.029 1.00 0.00 O ATOM 1699 CB PHE A 110 12.085 -7.145 5.048 1.00 0.00 C ATOM 1700 CG PHE A 110 13.289 -8.026 5.219 1.00 0.00 C ATOM 1701 CD1 PHE A 110 14.551 -7.571 4.873 1.00 0.00 C ATOM 1702 CD2 PHE A 110 13.159 -9.309 5.726 1.00 0.00 C ATOM 1703 CE1 PHE A 110 15.662 -8.379 5.030 1.00 0.00 C ATOM 1704 CE2 PHE A 110 14.266 -10.121 5.885 1.00 0.00 C ATOM 1705 CZ PHE A 110 15.519 -9.656 5.536 1.00 0.00 C ATOM 0 H PHE A 110 11.484 -6.245 7.456 1.00 0.00 H new ATOM 0 HA PHE A 110 13.254 -5.354 5.262 1.00 0.00 H new ATOM 0 HB2 PHE A 110 11.235 -7.603 5.555 1.00 0.00 H new ATOM 0 HB3 PHE A 110 11.833 -7.090 3.989 1.00 0.00 H new ATOM 0 HD1 PHE A 110 14.668 -6.573 4.476 1.00 0.00 H new ATOM 0 HD2 PHE A 110 12.182 -9.679 6.000 1.00 0.00 H new ATOM 0 HE1 PHE A 110 16.640 -8.012 4.757 1.00 0.00 H new ATOM 0 HE2 PHE A 110 14.151 -11.119 6.282 1.00 0.00 H new ATOM 0 HZ PHE A 110 16.385 -10.290 5.659 1.00 0.00 H new ATOM 1715 N VAL A 111 11.613 -3.628 4.575 1.00 0.00 N ATOM 1716 CA VAL A 111 10.680 -2.655 4.020 1.00 0.00 C ATOM 1717 C VAL A 111 10.484 -2.872 2.524 1.00 0.00 C ATOM 1718 O VAL A 111 11.444 -3.102 1.788 1.00 0.00 O ATOM 1719 CB VAL A 111 11.165 -1.213 4.259 1.00 0.00 C ATOM 1720 CG1 VAL A 111 10.107 -0.213 3.819 1.00 0.00 C ATOM 1721 CG2 VAL A 111 11.529 -1.009 5.722 1.00 0.00 C ATOM 0 H VAL A 111 12.587 -3.326 4.575 1.00 0.00 H new ATOM 0 HA VAL A 111 9.729 -2.801 4.533 1.00 0.00 H new ATOM 0 HB VAL A 111 12.060 -1.045 3.659 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.468 0.800 3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 111 9.901 -0.345 2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 111 9.192 -0.377 4.389 1.00 0.00 H new ATOM 0 HG21 VAL A 111 11.870 0.015 5.873 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.654 -1.196 6.344 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.325 -1.700 5.999 1.00 0.00 H new ATOM 1731 N PHE A 112 9.234 -2.797 2.079 1.00 0.00 N ATOM 1732 CA PHE A 112 8.911 -2.986 0.670 1.00 0.00 C ATOM 1733 C PHE A 112 8.656 -1.646 -0.014 1.00 0.00 C ATOM 1734 O PHE A 112 7.636 -1.000 0.224 1.00 0.00 O ATOM 1735 CB PHE A 112 7.684 -3.888 0.522 1.00 0.00 C ATOM 1736 CG PHE A 112 7.791 -5.176 1.288 1.00 0.00 C ATOM 1737 CD1 PHE A 112 9.010 -5.594 1.799 1.00 0.00 C ATOM 1738 CD2 PHE A 112 6.674 -5.967 1.498 1.00 0.00 C ATOM 1739 CE1 PHE A 112 9.111 -6.779 2.503 1.00 0.00 C ATOM 1740 CE2 PHE A 112 6.769 -7.153 2.202 1.00 0.00 C ATOM 1741 CZ PHE A 112 7.989 -7.559 2.706 1.00 0.00 C ATOM 0 H PHE A 112 8.428 -2.607 2.674 1.00 0.00 H new ATOM 0 HA PHE A 112 9.764 -3.464 0.189 1.00 0.00 H new ATOM 0 HB2 PHE A 112 6.801 -3.346 0.860 1.00 0.00 H new ATOM 0 HB3 PHE A 112 7.534 -4.114 -0.534 1.00 0.00 H new ATOM 0 HD1 PHE A 112 9.890 -4.987 1.645 1.00 0.00 H new ATOM 0 HD2 PHE A 112 5.717 -5.654 1.107 1.00 0.00 H new ATOM 0 HE1 PHE A 112 10.067 -7.095 2.894 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.890 -7.761 2.358 1.00 0.00 H new ATOM 0 HZ PHE A 112 8.066 -8.484 3.258 1.00 0.00 H new ATOM 1751 N ILE A 113 9.591 -1.235 -0.865 1.00 0.00 N ATOM 1752 CA ILE A 113 9.468 0.027 -1.583 1.00 0.00 C ATOM 1753 C ILE A 113 8.460 -0.086 -2.722 1.00 0.00 C ATOM 1754 O ILE A 113 8.624 -0.900 -3.632 1.00 0.00 O ATOM 1755 CB ILE A 113 10.823 0.483 -2.155 1.00 0.00 C ATOM 1756 CG1 ILE A 113 11.963 0.059 -1.226 1.00 0.00 C ATOM 1757 CG2 ILE A 113 10.832 1.991 -2.358 1.00 0.00 C ATOM 1758 CD1 ILE A 113 13.149 0.996 -1.258 1.00 0.00 C ATOM 0 H ILE A 113 10.442 -1.758 -1.074 1.00 0.00 H new ATOM 0 HA ILE A 113 9.119 0.768 -0.864 1.00 0.00 H new ATOM 0 HB ILE A 113 10.971 0.004 -3.123 1.00 0.00 H new ATOM 0 HG12 ILE A 113 11.586 -0.001 -0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 113 12.294 -0.942 -1.503 1.00 0.00 H new ATOM 0 HG21 ILE A 113 11.796 2.298 -2.763 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.041 2.269 -3.055 1.00 0.00 H new ATOM 0 HG23 ILE A 113 10.665 2.488 -1.402 1.00 0.00 H new ATOM 0 HD11 ILE A 113 13.918 0.633 -0.576 1.00 0.00 H new ATOM 0 HD12 ILE A 113 13.552 1.038 -2.270 1.00 0.00 H new ATOM 0 HD13 ILE A 113 12.833 1.993 -0.952 1.00 0.00 H new ATOM 1770 N CYS A 114 7.420 0.738 -2.667 1.00 0.00 N ATOM 1771 CA CYS A 114 6.385 0.733 -3.695 1.00 0.00 C ATOM 1772 C CYS A 114 6.206 2.124 -4.293 1.00 0.00 C ATOM 1773 O CYS A 114 6.493 3.132 -3.647 1.00 0.00 O ATOM 1774 CB CYS A 114 5.060 0.241 -3.111 1.00 0.00 C ATOM 1775 SG CYS A 114 5.227 -1.152 -1.971 1.00 0.00 S ATOM 0 H CYS A 114 7.271 1.418 -1.922 1.00 0.00 H new ATOM 0 HA CYS A 114 6.698 0.054 -4.488 1.00 0.00 H new ATOM 0 HB2 CYS A 114 4.576 1.067 -2.590 1.00 0.00 H new ATOM 0 HB3 CYS A 114 4.401 -0.050 -3.929 1.00 0.00 H new ATOM 0 HG CYS A 114 6.227 -0.939 -1.169 1.00 0.00 H new ATOM 1781 N LYS A 115 5.730 2.173 -5.533 1.00 0.00 N ATOM 1782 CA LYS A 115 5.513 3.440 -6.221 1.00 0.00 C ATOM 1783 C LYS A 115 4.234 3.396 -7.051 1.00 0.00 C ATOM 1784 O LYS A 115 3.575 2.360 -7.138 1.00 0.00 O ATOM 1785 CB LYS A 115 6.706 3.767 -7.121 1.00 0.00 C ATOM 1786 CG LYS A 115 7.802 4.549 -6.418 1.00 0.00 C ATOM 1787 CD LYS A 115 7.469 6.030 -6.344 1.00 0.00 C ATOM 1788 CE LYS A 115 7.888 6.760 -7.611 1.00 0.00 C ATOM 1789 NZ LYS A 115 6.825 6.715 -8.654 1.00 0.00 N ATOM 0 H LYS A 115 5.487 1.349 -6.082 1.00 0.00 H new ATOM 0 HA LYS A 115 5.410 4.221 -5.467 1.00 0.00 H new ATOM 0 HB2 LYS A 115 7.125 2.838 -7.507 1.00 0.00 H new ATOM 0 HB3 LYS A 115 6.356 4.340 -7.980 1.00 0.00 H new ATOM 0 HG2 LYS A 115 7.943 4.156 -5.411 1.00 0.00 H new ATOM 0 HG3 LYS A 115 8.745 4.413 -6.948 1.00 0.00 H new ATOM 0 HD2 LYS A 115 6.398 6.156 -6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 115 7.971 6.474 -5.484 1.00 0.00 H new ATOM 0 HE2 LYS A 115 8.119 7.798 -7.373 1.00 0.00 H new ATOM 0 HE3 LYS A 115 8.801 6.312 -8.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.838 7.599 -9.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 6.998 5.911 -9.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 5.897 6.603 -8.199 1.00 0.00 H new ATOM 1803 N ASN A 116 3.889 4.526 -7.659 1.00 0.00 N ATOM 1804 CA ASN A 116 2.689 4.616 -8.483 1.00 0.00 C ATOM 1805 C ASN A 116 1.455 4.184 -7.695 1.00 0.00 C ATOM 1806 O ASN A 116 0.698 3.307 -8.112 1.00 0.00 O ATOM 1807 CB ASN A 116 2.838 3.748 -9.734 1.00 0.00 C ATOM 1808 CG ASN A 116 4.283 3.612 -10.175 1.00 0.00 C ATOM 1809 OD1 ASN A 116 4.977 2.620 -9.629 1.00 0.00 O flip ATOM 1810 ND2 ASN A 116 4.769 4.390 -10.996 1.00 0.00 N flip ATOM 0 H ASN A 116 4.423 5.393 -7.597 1.00 0.00 H new ATOM 0 HA ASN A 116 2.561 5.656 -8.783 1.00 0.00 H new ATOM 0 HB2 ASN A 116 2.426 2.758 -9.537 1.00 0.00 H new ATOM 0 HB3 ASN A 116 2.253 4.181 -10.545 1.00 0.00 H new ATOM 0 HD21 ASN A 116 4.198 5.138 -11.390 1.00 0.00 H new ATOM 0 HD22 ASN A 116 5.742 4.286 -11.283 1.00 0.00 H new ATOM 1817 N PRO A 117 1.247 4.815 -6.530 1.00 0.00 N ATOM 1818 CA PRO A 117 0.106 4.514 -5.660 1.00 0.00 C ATOM 1819 C PRO A 117 -1.218 4.976 -6.260 1.00 0.00 C ATOM 1820 O PRO A 117 -1.430 6.170 -6.470 1.00 0.00 O ATOM 1821 CB PRO A 117 0.417 5.297 -4.383 1.00 0.00 C ATOM 1822 CG PRO A 117 1.298 6.414 -4.828 1.00 0.00 C ATOM 1823 CD PRO A 117 2.109 5.870 -5.972 1.00 0.00 C ATOM 0 HA PRO A 117 -0.013 3.442 -5.500 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -0.494 5.673 -3.917 1.00 0.00 H new ATOM 0 HB3 PRO A 117 0.916 4.669 -3.645 1.00 0.00 H new ATOM 0 HG2 PRO A 117 0.708 7.275 -5.142 1.00 0.00 H new ATOM 0 HG3 PRO A 117 1.944 6.749 -4.016 1.00 0.00 H new ATOM 0 HD2 PRO A 117 2.330 6.641 -6.710 1.00 0.00 H new ATOM 0 HD3 PRO A 117 3.065 5.470 -5.633 1.00 0.00 H new ATOM 1831 N GLN A 118 -2.104 4.024 -6.532 1.00 0.00 N ATOM 1832 CA GLN A 118 -3.407 4.335 -7.108 1.00 0.00 C ATOM 1833 C GLN A 118 -4.529 3.708 -6.286 1.00 0.00 C ATOM 1834 O GLN A 118 -4.426 2.561 -5.853 1.00 0.00 O ATOM 1835 CB GLN A 118 -3.480 3.842 -8.554 1.00 0.00 C ATOM 1836 CG GLN A 118 -3.037 2.398 -8.727 1.00 0.00 C ATOM 1837 CD GLN A 118 -2.387 2.145 -10.073 1.00 0.00 C ATOM 1838 OE1 GLN A 118 -3.053 2.151 -11.108 1.00 0.00 O ATOM 1839 NE2 GLN A 118 -1.078 1.920 -10.065 1.00 0.00 N ATOM 0 H GLN A 118 -1.944 3.031 -6.363 1.00 0.00 H new ATOM 0 HA GLN A 118 -3.533 5.418 -7.095 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -4.504 3.945 -8.913 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -2.857 4.482 -9.179 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -2.335 2.140 -7.934 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -3.900 1.741 -8.615 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -0.565 1.924 -9.183 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -0.586 1.743 -10.941 1.00 0.00 H new ATOM 1848 N GLU A 119 -5.598 4.470 -6.076 1.00 0.00 N ATOM 1849 CA GLU A 119 -6.738 3.988 -5.305 1.00 0.00 C ATOM 1850 C GLU A 119 -7.898 3.614 -6.225 1.00 0.00 C ATOM 1851 O GLU A 119 -8.427 4.458 -6.948 1.00 0.00 O ATOM 1852 CB GLU A 119 -7.190 5.051 -4.302 1.00 0.00 C ATOM 1853 CG GLU A 119 -8.513 4.728 -3.628 1.00 0.00 C ATOM 1854 CD GLU A 119 -9.706 5.268 -4.394 1.00 0.00 C ATOM 1855 OE1 GLU A 119 -9.509 6.154 -5.252 1.00 0.00 O ATOM 1856 OE2 GLU A 119 -10.836 4.803 -4.136 1.00 0.00 O ATOM 0 H GLU A 119 -5.698 5.422 -6.428 1.00 0.00 H new ATOM 0 HA GLU A 119 -6.426 3.096 -4.762 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -6.421 5.168 -3.538 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -7.277 6.009 -4.815 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -8.610 3.647 -3.526 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -8.514 5.144 -2.621 1.00 0.00 H new ATOM 1863 N MET A 120 -8.286 2.344 -6.191 1.00 0.00 N ATOM 1864 CA MET A 120 -9.383 1.858 -7.020 1.00 0.00 C ATOM 1865 C MET A 120 -10.691 2.551 -6.652 1.00 0.00 C ATOM 1866 O MET A 120 -10.983 2.763 -5.474 1.00 0.00 O ATOM 1867 CB MET A 120 -9.534 0.343 -6.868 1.00 0.00 C ATOM 1868 CG MET A 120 -8.357 -0.443 -7.422 1.00 0.00 C ATOM 1869 SD MET A 120 -8.141 -2.036 -6.606 1.00 0.00 S ATOM 1870 CE MET A 120 -9.846 -2.500 -6.312 1.00 0.00 C ATOM 0 H MET A 120 -7.858 1.633 -5.599 1.00 0.00 H new ATOM 0 HA MET A 120 -9.150 2.090 -8.059 1.00 0.00 H new ATOM 0 HB2 MET A 120 -9.656 0.102 -5.812 1.00 0.00 H new ATOM 0 HB3 MET A 120 -10.445 0.024 -7.375 1.00 0.00 H new ATOM 0 HG2 MET A 120 -8.502 -0.603 -8.490 1.00 0.00 H new ATOM 0 HG3 MET A 120 -7.446 0.145 -7.309 1.00 0.00 H new ATOM 0 HE1 MET A 120 -9.893 -3.551 -6.028 1.00 0.00 H new ATOM 0 HE2 MET A 120 -10.256 -1.888 -5.509 1.00 0.00 H new ATOM 0 HE3 MET A 120 -10.428 -2.343 -7.221 1.00 0.00 H new ATOM 1880 N VAL A 121 -11.477 2.901 -7.665 1.00 0.00 N ATOM 1881 CA VAL A 121 -12.754 3.569 -7.447 1.00 0.00 C ATOM 1882 C VAL A 121 -13.738 2.652 -6.729 1.00 0.00 C ATOM 1883 O VAL A 121 -14.594 3.113 -5.974 1.00 0.00 O ATOM 1884 CB VAL A 121 -13.378 4.034 -8.776 1.00 0.00 C ATOM 1885 CG1 VAL A 121 -14.743 4.661 -8.535 1.00 0.00 C ATOM 1886 CG2 VAL A 121 -12.453 5.010 -9.487 1.00 0.00 C ATOM 0 H VAL A 121 -11.251 2.733 -8.645 1.00 0.00 H new ATOM 0 HA VAL A 121 -12.553 4.441 -6.824 1.00 0.00 H new ATOM 0 HB VAL A 121 -13.512 3.163 -9.418 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -15.168 4.983 -9.485 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -15.404 3.928 -8.072 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -14.637 5.522 -7.875 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -12.910 5.328 -10.424 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -12.284 5.880 -8.852 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -11.500 4.523 -9.695 1.00 0.00 H new ATOM 1896 N VAL A 122 -13.610 1.351 -6.970 1.00 0.00 N ATOM 1897 CA VAL A 122 -14.487 0.368 -6.345 1.00 0.00 C ATOM 1898 C VAL A 122 -13.689 -0.629 -5.513 1.00 0.00 C ATOM 1899 O VAL A 122 -12.580 -1.016 -5.881 1.00 0.00 O ATOM 1900 CB VAL A 122 -15.309 -0.399 -7.398 1.00 0.00 C ATOM 1901 CG1 VAL A 122 -14.403 -0.938 -8.494 1.00 0.00 C ATOM 1902 CG2 VAL A 122 -16.094 -1.525 -6.742 1.00 0.00 C ATOM 0 H VAL A 122 -12.907 0.953 -7.594 1.00 0.00 H new ATOM 0 HA VAL A 122 -15.167 0.917 -5.694 1.00 0.00 H new ATOM 0 HB VAL A 122 -16.019 0.291 -7.854 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -15.001 -1.477 -9.229 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -13.889 -0.109 -8.982 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -13.668 -1.615 -8.058 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -16.669 -2.057 -7.500 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -15.404 -2.216 -6.259 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -16.772 -1.110 -5.997 1.00 0.00 H new ATOM 1912 N LYS A 123 -14.262 -1.044 -4.388 1.00 0.00 N ATOM 1913 CA LYS A 123 -13.606 -1.999 -3.502 1.00 0.00 C ATOM 1914 C LYS A 123 -14.341 -3.335 -3.503 1.00 0.00 C ATOM 1915 O LYS A 123 -15.550 -3.390 -3.730 1.00 0.00 O ATOM 1916 CB LYS A 123 -13.539 -1.442 -2.078 1.00 0.00 C ATOM 1917 CG LYS A 123 -13.244 0.047 -2.020 1.00 0.00 C ATOM 1918 CD LYS A 123 -11.749 0.318 -1.999 1.00 0.00 C ATOM 1919 CE LYS A 123 -11.450 1.759 -1.612 1.00 0.00 C ATOM 1920 NZ LYS A 123 -11.477 2.667 -2.791 1.00 0.00 N ATOM 0 H LYS A 123 -15.180 -0.734 -4.068 1.00 0.00 H new ATOM 0 HA LYS A 123 -12.593 -2.162 -3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -14.487 -1.636 -1.576 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -12.769 -1.978 -1.523 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -13.692 0.542 -2.882 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -13.705 0.476 -1.130 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -11.265 -0.357 -1.293 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -11.326 0.109 -2.982 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -12.181 2.097 -0.877 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -10.471 1.811 -1.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -10.759 3.410 -2.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -11.274 2.122 -3.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -12.417 3.104 -2.871 1.00 0.00 H new ATOM 1934 N PHE A 124 -13.604 -4.411 -3.246 1.00 0.00 N ATOM 1935 CA PHE A 124 -14.187 -5.747 -3.217 1.00 0.00 C ATOM 1936 C PHE A 124 -14.034 -6.377 -1.835 1.00 0.00 C ATOM 1937 O PHE A 124 -13.011 -6.228 -1.167 1.00 0.00 O ATOM 1938 CB PHE A 124 -13.527 -6.638 -4.271 1.00 0.00 C ATOM 1939 CG PHE A 124 -13.024 -5.880 -5.466 1.00 0.00 C ATOM 1940 CD1 PHE A 124 -13.857 -5.011 -6.153 1.00 0.00 C ATOM 1941 CD2 PHE A 124 -11.718 -6.035 -5.903 1.00 0.00 C ATOM 1942 CE1 PHE A 124 -13.397 -4.313 -7.253 1.00 0.00 C ATOM 1943 CE2 PHE A 124 -11.253 -5.340 -7.003 1.00 0.00 C ATOM 1944 CZ PHE A 124 -12.093 -4.477 -7.678 1.00 0.00 C ATOM 0 H PHE A 124 -12.602 -4.384 -3.055 1.00 0.00 H new ATOM 0 HA PHE A 124 -15.250 -5.657 -3.441 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -12.695 -7.173 -3.813 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -14.245 -7.388 -4.602 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -14.877 -4.878 -5.825 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -11.056 -6.707 -5.377 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -14.057 -3.640 -7.780 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -10.234 -5.472 -7.334 1.00 0.00 H new ATOM 0 HZ PHE A 124 -11.731 -3.931 -8.537 1.00 0.00 H new ATOM 1954 N PRO A 125 -15.077 -7.097 -1.395 1.00 0.00 N ATOM 1955 CA PRO A 125 -15.084 -7.764 -0.090 1.00 0.00 C ATOM 1956 C PRO A 125 -14.120 -8.945 -0.037 1.00 0.00 C ATOM 1957 O PRO A 125 -14.523 -10.095 -0.211 1.00 0.00 O ATOM 1958 CB PRO A 125 -16.529 -8.247 0.054 1.00 0.00 C ATOM 1959 CG PRO A 125 -17.022 -8.389 -1.345 1.00 0.00 C ATOM 1960 CD PRO A 125 -16.329 -7.317 -2.139 1.00 0.00 C ATOM 0 HA PRO A 125 -14.761 -7.097 0.710 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -16.578 -9.195 0.589 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -17.131 -7.533 0.615 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -16.792 -9.378 -1.741 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -18.105 -8.271 -1.391 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -16.137 -7.636 -3.163 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -16.928 -6.408 -2.195 1.00 0.00 H new ATOM 1968 N ILE A 126 -12.846 -8.652 0.205 1.00 0.00 N ATOM 1969 CA ILE A 126 -11.826 -9.691 0.283 1.00 0.00 C ATOM 1970 C ILE A 126 -11.133 -9.680 1.641 1.00 0.00 C ATOM 1971 O ILE A 126 -11.268 -8.729 2.412 1.00 0.00 O ATOM 1972 CB ILE A 126 -10.768 -9.523 -0.823 1.00 0.00 C ATOM 1973 CG1 ILE A 126 -10.180 -8.111 -0.787 1.00 0.00 C ATOM 1974 CG2 ILE A 126 -11.376 -9.815 -2.187 1.00 0.00 C ATOM 1975 CD1 ILE A 126 -9.195 -7.895 0.341 1.00 0.00 C ATOM 0 H ILE A 126 -12.496 -7.705 0.350 1.00 0.00 H new ATOM 0 HA ILE A 126 -12.335 -10.645 0.146 1.00 0.00 H new ATOM 0 HB ILE A 126 -9.963 -10.236 -0.646 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -9.683 -7.909 -1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -10.992 -7.390 -0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -10.616 -9.692 -2.958 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -11.751 -10.838 -2.207 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -12.198 -9.124 -2.374 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -8.819 -6.873 0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -9.692 -8.065 1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -8.363 -8.592 0.236 1.00 0.00 H new ATOM 1987 N LYS A 127 -10.387 -10.742 1.927 1.00 0.00 N ATOM 1988 CA LYS A 127 -9.669 -10.855 3.190 1.00 0.00 C ATOM 1989 C LYS A 127 -8.166 -10.707 2.976 1.00 0.00 C ATOM 1990 O LYS A 127 -7.666 -10.887 1.866 1.00 0.00 O ATOM 1991 CB LYS A 127 -9.971 -12.200 3.854 1.00 0.00 C ATOM 1992 CG LYS A 127 -11.451 -12.444 4.089 1.00 0.00 C ATOM 1993 CD LYS A 127 -11.740 -13.912 4.350 1.00 0.00 C ATOM 1994 CE LYS A 127 -11.633 -14.247 5.830 1.00 0.00 C ATOM 1995 NZ LYS A 127 -11.784 -15.708 6.081 1.00 0.00 N ATOM 0 H LYS A 127 -10.264 -11.537 1.300 1.00 0.00 H new ATOM 0 HA LYS A 127 -10.006 -10.051 3.844 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -9.574 -13.001 3.230 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -9.447 -12.250 4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -11.788 -11.849 4.938 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -12.018 -12.110 3.220 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -12.740 -14.156 3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -11.040 -14.528 3.785 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -10.668 -13.911 6.209 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -12.399 -13.703 6.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -11.705 -15.895 7.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -12.715 -16.024 5.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -11.037 -16.226 5.575 1.00 0.00 H new ATOM 2009 N GLY A 128 -7.449 -10.381 4.048 1.00 0.00 N ATOM 2010 CA GLY A 128 -6.010 -10.216 3.955 1.00 0.00 C ATOM 2011 C GLY A 128 -5.261 -11.120 4.915 1.00 0.00 C ATOM 2012 O GLY A 128 -5.871 -11.853 5.692 1.00 0.00 O ATOM 0 H GLY A 128 -7.839 -10.228 4.978 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -5.688 -10.427 2.935 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -5.752 -9.177 4.162 1.00 0.00 H new ATOM 2016 N ASN A 129 -3.934 -11.068 4.860 1.00 0.00 N ATOM 2017 CA ASN A 129 -3.100 -11.890 5.730 1.00 0.00 C ATOM 2018 C ASN A 129 -1.733 -11.246 5.940 1.00 0.00 C ATOM 2019 O ASN A 129 -1.318 -10.354 5.199 1.00 0.00 O ATOM 2020 CB ASN A 129 -2.931 -13.289 5.135 1.00 0.00 C ATOM 2021 CG ASN A 129 -1.591 -13.467 4.447 1.00 0.00 C ATOM 2022 OD1 ASN A 129 -0.603 -13.847 5.075 1.00 0.00 O ATOM 2023 ND2 ASN A 129 -1.552 -13.191 3.148 1.00 0.00 N ATOM 0 H ASN A 129 -3.413 -10.466 4.223 1.00 0.00 H new ATOM 0 HA ASN A 129 -3.596 -11.971 6.697 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -3.032 -14.032 5.926 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -3.731 -13.475 4.419 1.00 0.00 H new ATOM 0 HD21 ASN A 129 -0.678 -13.291 2.631 1.00 0.00 H new ATOM 0 HD22 ASN A 129 -2.396 -12.879 2.667 1.00 0.00 H new ATOM 2030 N PRO A 130 -1.015 -11.707 6.975 1.00 0.00 N ATOM 2031 CA PRO A 130 0.316 -11.191 7.307 1.00 0.00 C ATOM 2032 C PRO A 130 1.366 -11.588 6.275 1.00 0.00 C ATOM 2033 O PRO A 130 2.565 -11.563 6.552 1.00 0.00 O ATOM 2034 CB PRO A 130 0.622 -11.841 8.658 1.00 0.00 C ATOM 2035 CG PRO A 130 -0.198 -13.085 8.674 1.00 0.00 C ATOM 2036 CD PRO A 130 -1.447 -12.768 7.900 1.00 0.00 C ATOM 0 HA PRO A 130 0.337 -10.101 7.328 1.00 0.00 H new ATOM 0 HB2 PRO A 130 1.684 -12.065 8.758 1.00 0.00 H new ATOM 0 HB3 PRO A 130 0.357 -11.181 9.484 1.00 0.00 H new ATOM 0 HG2 PRO A 130 0.343 -13.915 8.219 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -0.437 -13.382 9.695 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -1.820 -13.641 7.364 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -2.250 -12.428 8.554 1.00 0.00 H new ATOM 2044 N LYS A 131 0.908 -11.954 5.083 1.00 0.00 N ATOM 2045 CA LYS A 131 1.807 -12.356 4.007 1.00 0.00 C ATOM 2046 C LYS A 131 1.180 -12.083 2.644 1.00 0.00 C ATOM 2047 O LYS A 131 0.096 -11.505 2.553 1.00 0.00 O ATOM 2048 CB LYS A 131 2.155 -13.840 4.133 1.00 0.00 C ATOM 2049 CG LYS A 131 2.903 -14.184 5.409 1.00 0.00 C ATOM 2050 CD LYS A 131 4.331 -13.667 5.375 1.00 0.00 C ATOM 2051 CE LYS A 131 5.222 -14.547 4.512 1.00 0.00 C ATOM 2052 NZ LYS A 131 5.563 -15.827 5.193 1.00 0.00 N ATOM 0 H LYS A 131 -0.082 -11.981 4.837 1.00 0.00 H new ATOM 0 HA LYS A 131 2.720 -11.767 4.091 1.00 0.00 H new ATOM 0 HB2 LYS A 131 1.236 -14.425 4.092 1.00 0.00 H new ATOM 0 HB3 LYS A 131 2.760 -14.137 3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 131 2.381 -13.756 6.265 1.00 0.00 H new ATOM 0 HG3 LYS A 131 2.910 -15.265 5.548 1.00 0.00 H new ATOM 0 HD2 LYS A 131 4.341 -12.648 4.989 1.00 0.00 H new ATOM 0 HD3 LYS A 131 4.729 -13.628 6.389 1.00 0.00 H new ATOM 0 HE2 LYS A 131 4.718 -14.760 3.569 1.00 0.00 H new ATOM 0 HE3 LYS A 131 6.138 -14.009 4.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 6.289 -16.330 4.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 5.927 -15.627 6.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 4.711 -16.420 5.265 1.00 0.00 H new ATOM 2066 N ILE A 132 1.867 -12.504 1.587 1.00 0.00 N ATOM 2067 CA ILE A 132 1.375 -12.307 0.229 1.00 0.00 C ATOM 2068 C ILE A 132 0.406 -13.415 -0.171 1.00 0.00 C ATOM 2069 O ILE A 132 0.690 -14.598 0.015 1.00 0.00 O ATOM 2070 CB ILE A 132 2.531 -12.261 -0.787 1.00 0.00 C ATOM 2071 CG1 ILE A 132 3.454 -11.078 -0.489 1.00 0.00 C ATOM 2072 CG2 ILE A 132 1.986 -12.171 -2.205 1.00 0.00 C ATOM 2073 CD1 ILE A 132 4.603 -10.946 -1.464 1.00 0.00 C ATOM 0 H ILE A 132 2.765 -12.983 1.645 1.00 0.00 H new ATOM 0 HA ILE A 132 0.854 -11.350 0.218 1.00 0.00 H new ATOM 0 HB ILE A 132 3.110 -13.180 -0.699 1.00 0.00 H new ATOM 0 HG12 ILE A 132 2.869 -10.159 -0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 132 3.854 -11.185 0.519 1.00 0.00 H new ATOM 0 HG21 ILE A 132 2.815 -12.139 -2.912 1.00 0.00 H new ATOM 0 HG22 ILE A 132 1.365 -13.043 -2.412 1.00 0.00 H new ATOM 0 HG23 ILE A 132 1.387 -11.266 -2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 132 5.215 -10.086 -1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 132 5.212 -11.849 -1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 132 4.211 -10.807 -2.472 1.00 0.00 H new ATOM 2085 N TRP A 133 -0.737 -13.023 -0.721 1.00 0.00 N ATOM 2086 CA TRP A 133 -1.748 -13.983 -1.149 1.00 0.00 C ATOM 2087 C TRP A 133 -2.234 -13.670 -2.560 1.00 0.00 C ATOM 2088 O TRP A 133 -2.424 -12.508 -2.918 1.00 0.00 O ATOM 2089 CB TRP A 133 -2.929 -13.979 -0.177 1.00 0.00 C ATOM 2090 CG TRP A 133 -3.465 -12.607 0.101 1.00 0.00 C ATOM 2091 CD1 TRP A 133 -2.811 -11.583 0.726 1.00 0.00 C ATOM 2092 CD2 TRP A 133 -4.765 -12.111 -0.235 1.00 0.00 C ATOM 2093 NE1 TRP A 133 -3.627 -10.480 0.799 1.00 0.00 N ATOM 2094 CE2 TRP A 133 -4.831 -10.777 0.216 1.00 0.00 C ATOM 2095 CE3 TRP A 133 -5.879 -12.661 -0.874 1.00 0.00 C ATOM 2096 CZ2 TRP A 133 -5.967 -9.991 0.048 1.00 0.00 C ATOM 2097 CZ3 TRP A 133 -7.006 -11.879 -1.039 1.00 0.00 C ATOM 2098 CH2 TRP A 133 -7.043 -10.555 -0.581 1.00 0.00 C ATOM 0 H TRP A 133 -0.987 -12.047 -0.881 1.00 0.00 H new ATOM 0 HA TRP A 133 -1.293 -14.974 -1.153 1.00 0.00 H new ATOM 0 HB2 TRP A 133 -3.728 -14.598 -0.585 1.00 0.00 H new ATOM 0 HB3 TRP A 133 -2.619 -14.437 0.762 1.00 0.00 H new ATOM 0 HD1 TRP A 133 -1.802 -11.633 1.107 1.00 0.00 H new ATOM 0 HE1 TRP A 133 -3.377 -9.585 1.219 1.00 0.00 H new ATOM 0 HE3 TRP A 133 -5.860 -13.680 -1.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 -5.998 -8.971 0.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 -7.874 -12.295 -1.529 1.00 0.00 H new ATOM 0 HH2 TRP A 133 -7.938 -9.969 -0.727 1.00 0.00 H new ATOM 2109 N LYS A 134 -2.434 -14.714 -3.358 1.00 0.00 N ATOM 2110 CA LYS A 134 -2.899 -14.550 -4.730 1.00 0.00 C ATOM 2111 C LYS A 134 -4.357 -14.103 -4.760 1.00 0.00 C ATOM 2112 O LYS A 134 -5.223 -14.730 -4.149 1.00 0.00 O ATOM 2113 CB LYS A 134 -2.741 -15.862 -5.503 1.00 0.00 C ATOM 2114 CG LYS A 134 -2.632 -15.672 -7.006 1.00 0.00 C ATOM 2115 CD LYS A 134 -2.206 -16.955 -7.701 1.00 0.00 C ATOM 2116 CE LYS A 134 -0.692 -17.101 -7.723 1.00 0.00 C ATOM 2117 NZ LYS A 134 -0.269 -18.407 -8.299 1.00 0.00 N ATOM 0 H LYS A 134 -2.281 -15.683 -3.078 1.00 0.00 H new ATOM 0 HA LYS A 134 -2.291 -13.780 -5.204 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -1.851 -16.380 -5.145 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -3.593 -16.506 -5.287 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -3.593 -15.344 -7.403 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -1.912 -14.883 -7.223 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -2.648 -17.811 -7.190 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -2.588 -16.961 -8.722 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -0.257 -16.289 -8.306 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -0.303 -17.009 -6.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 0.769 -18.468 -8.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -0.663 -19.182 -7.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -0.618 -18.485 -9.276 1.00 0.00 H new ATOM 2131 N LEU A 135 -4.622 -13.016 -5.476 1.00 0.00 N ATOM 2132 CA LEU A 135 -5.976 -12.485 -5.588 1.00 0.00 C ATOM 2133 C LEU A 135 -6.887 -13.465 -6.321 1.00 0.00 C ATOM 2134 O LEU A 135 -6.415 -14.391 -6.980 1.00 0.00 O ATOM 2135 CB LEU A 135 -5.960 -11.141 -6.319 1.00 0.00 C ATOM 2136 CG LEU A 135 -5.610 -9.919 -5.470 1.00 0.00 C ATOM 2137 CD1 LEU A 135 -5.486 -8.680 -6.343 1.00 0.00 C ATOM 2138 CD2 LEU A 135 -6.656 -9.706 -4.385 1.00 0.00 C ATOM 0 H LEU A 135 -3.917 -12.485 -5.988 1.00 0.00 H new ATOM 0 HA LEU A 135 -6.366 -12.339 -4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -5.245 -11.205 -7.140 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -6.942 -10.980 -6.764 1.00 0.00 H new ATOM 0 HG LEU A 135 -4.648 -10.098 -4.990 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -5.237 -7.820 -5.721 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -4.700 -8.833 -7.083 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -6.432 -8.497 -6.852 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -6.391 -8.832 -3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -7.631 -9.549 -4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -6.696 -10.584 -3.741 1.00 0.00 H new ATOM 2150 N ASP A 136 -8.193 -13.252 -6.203 1.00 0.00 N ATOM 2151 CA ASP A 136 -9.170 -14.115 -6.857 1.00 0.00 C ATOM 2152 C ASP A 136 -9.240 -13.820 -8.352 1.00 0.00 C ATOM 2153 O ASP A 136 -9.381 -12.668 -8.761 1.00 0.00 O ATOM 2154 CB ASP A 136 -10.549 -13.931 -6.222 1.00 0.00 C ATOM 2155 CG ASP A 136 -11.379 -15.200 -6.263 1.00 0.00 C ATOM 2156 OD1 ASP A 136 -11.546 -15.764 -7.365 1.00 0.00 O ATOM 2157 OD2 ASP A 136 -11.862 -15.628 -5.194 1.00 0.00 O ATOM 0 H ASP A 136 -8.600 -12.490 -5.661 1.00 0.00 H new ATOM 0 HA ASP A 136 -8.853 -15.149 -6.724 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -10.429 -13.612 -5.187 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -11.082 -13.135 -6.742 1.00 0.00 H new ATOM 2162 N SER A 137 -9.141 -14.869 -9.162 1.00 0.00 N ATOM 2163 CA SER A 137 -9.188 -14.722 -10.612 1.00 0.00 C ATOM 2164 C SER A 137 -10.185 -13.640 -11.016 1.00 0.00 C ATOM 2165 O SER A 137 -9.880 -12.770 -11.832 1.00 0.00 O ATOM 2166 CB SER A 137 -9.567 -16.051 -11.269 1.00 0.00 C ATOM 2167 OG SER A 137 -8.982 -16.169 -12.554 1.00 0.00 O ATOM 0 H SER A 137 -9.028 -15.830 -8.839 1.00 0.00 H new ATOM 0 HA SER A 137 -8.197 -14.425 -10.955 1.00 0.00 H new ATOM 0 HB2 SER A 137 -9.239 -16.878 -10.639 1.00 0.00 H new ATOM 0 HB3 SER A 137 -10.651 -16.123 -11.352 1.00 0.00 H new ATOM 0 HG SER A 137 -9.238 -17.027 -12.952 1.00 0.00 H new ATOM 2173 N LYS A 138 -11.381 -13.701 -10.439 1.00 0.00 N ATOM 2174 CA LYS A 138 -12.425 -12.727 -10.736 1.00 0.00 C ATOM 2175 C LYS A 138 -12.037 -11.342 -10.229 1.00 0.00 C ATOM 2176 O LYS A 138 -12.328 -10.332 -10.871 1.00 0.00 O ATOM 2177 CB LYS A 138 -13.750 -13.161 -10.104 1.00 0.00 C ATOM 2178 CG LYS A 138 -14.472 -14.243 -10.887 1.00 0.00 C ATOM 2179 CD LYS A 138 -15.227 -13.664 -12.072 1.00 0.00 C ATOM 2180 CE LYS A 138 -16.491 -12.943 -11.629 1.00 0.00 C ATOM 2181 NZ LYS A 138 -17.617 -13.890 -11.400 1.00 0.00 N ATOM 0 H LYS A 138 -11.651 -14.415 -9.763 1.00 0.00 H new ATOM 0 HA LYS A 138 -12.544 -12.678 -11.818 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -13.560 -13.522 -9.093 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -14.402 -12.292 -10.015 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -13.751 -14.981 -11.239 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -15.168 -14.765 -10.231 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -14.582 -12.971 -12.612 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -15.487 -14.464 -12.765 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -16.291 -12.388 -10.712 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -16.778 -12.214 -12.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -18.460 -13.361 -11.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -17.825 -14.401 -12.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -17.353 -14.570 -10.659 1.00 0.00 H new ATOM 2195 N ILE A 139 -11.378 -11.302 -9.075 1.00 0.00 N ATOM 2196 CA ILE A 139 -10.949 -10.040 -8.485 1.00 0.00 C ATOM 2197 C ILE A 139 -9.869 -9.376 -9.332 1.00 0.00 C ATOM 2198 O ILE A 139 -9.948 -8.185 -9.637 1.00 0.00 O ATOM 2199 CB ILE A 139 -10.412 -10.242 -7.056 1.00 0.00 C ATOM 2200 CG1 ILE A 139 -11.536 -10.706 -6.126 1.00 0.00 C ATOM 2201 CG2 ILE A 139 -9.788 -8.954 -6.538 1.00 0.00 C ATOM 2202 CD1 ILE A 139 -12.465 -9.592 -5.698 1.00 0.00 C ATOM 0 H ILE A 139 -11.130 -12.128 -8.531 1.00 0.00 H new ATOM 0 HA ILE A 139 -11.826 -9.394 -8.448 1.00 0.00 H new ATOM 0 HB ILE A 139 -9.642 -11.013 -7.079 1.00 0.00 H new ATOM 0 HG12 ILE A 139 -12.117 -11.479 -6.629 1.00 0.00 H new ATOM 0 HG13 ILE A 139 -11.097 -11.163 -5.239 1.00 0.00 H new ATOM 0 HG21 ILE A 139 -9.413 -9.112 -5.527 1.00 0.00 H new ATOM 0 HG22 ILE A 139 -8.964 -8.661 -7.189 1.00 0.00 H new ATOM 0 HG23 ILE A 139 -10.539 -8.165 -6.527 1.00 0.00 H new ATOM 0 HD11 ILE A 139 -13.236 -9.994 -5.041 1.00 0.00 H new ATOM 0 HD12 ILE A 139 -11.897 -8.829 -5.166 1.00 0.00 H new ATOM 0 HD13 ILE A 139 -12.932 -9.150 -6.578 1.00 0.00 H new ATOM 2214 N HIS A 140 -8.861 -10.154 -9.713 1.00 0.00 N ATOM 2215 CA HIS A 140 -7.765 -9.642 -10.528 1.00 0.00 C ATOM 2216 C HIS A 140 -8.276 -8.634 -11.553 1.00 0.00 C ATOM 2217 O HIS A 140 -7.929 -7.455 -11.503 1.00 0.00 O ATOM 2218 CB HIS A 140 -7.049 -10.792 -11.238 1.00 0.00 C ATOM 2219 CG HIS A 140 -5.747 -10.393 -11.861 1.00 0.00 C ATOM 2220 ND1 HIS A 140 -5.203 -11.041 -12.950 1.00 0.00 N ATOM 2221 CD2 HIS A 140 -4.879 -9.404 -11.542 1.00 0.00 C ATOM 2222 CE1 HIS A 140 -4.057 -10.470 -13.273 1.00 0.00 C ATOM 2223 NE2 HIS A 140 -3.838 -9.473 -12.434 1.00 0.00 N ATOM 0 H HIS A 140 -8.780 -11.141 -9.470 1.00 0.00 H new ATOM 0 HA HIS A 140 -7.059 -9.137 -9.869 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -6.869 -11.594 -10.522 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -7.704 -11.195 -12.011 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -4.986 -8.693 -10.736 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -3.409 -10.767 -14.084 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -3.027 -8.855 -12.447 1.00 0.00 H new ATOM 2231 N GLN A 141 -9.100 -9.108 -12.481 1.00 0.00 N ATOM 2232 CA GLN A 141 -9.657 -8.248 -13.519 1.00 0.00 C ATOM 2233 C GLN A 141 -10.296 -7.004 -12.910 1.00 0.00 C ATOM 2234 O GLN A 141 -9.790 -5.893 -13.068 1.00 0.00 O ATOM 2235 CB GLN A 141 -10.691 -9.014 -14.346 1.00 0.00 C ATOM 2236 CG GLN A 141 -10.104 -10.176 -15.129 1.00 0.00 C ATOM 2237 CD GLN A 141 -10.932 -10.538 -16.346 1.00 0.00 C ATOM 2238 OE1 GLN A 141 -12.155 -10.398 -16.343 1.00 0.00 O ATOM 2239 NE2 GLN A 141 -10.268 -11.005 -17.397 1.00 0.00 N ATOM 0 H GLN A 141 -9.397 -10.082 -12.536 1.00 0.00 H new ATOM 0 HA GLN A 141 -8.842 -7.934 -14.171 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -11.469 -9.391 -13.681 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -11.171 -8.325 -15.040 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -9.092 -9.922 -15.445 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -10.025 -11.046 -14.477 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -9.254 -11.105 -17.356 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -10.772 -11.264 -18.245 1.00 0.00 H new ATOM 2248 N GLY A 142 -11.411 -7.198 -12.212 1.00 0.00 N ATOM 2249 CA GLY A 142 -12.101 -6.083 -11.590 1.00 0.00 C ATOM 2250 C GLY A 142 -11.146 -5.019 -11.086 1.00 0.00 C ATOM 2251 O GLY A 142 -11.324 -3.834 -11.364 1.00 0.00 O ATOM 0 H GLY A 142 -11.849 -8.108 -12.066 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -12.789 -5.638 -12.309 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -12.703 -6.450 -10.759 1.00 0.00 H new ATOM 2255 N ALA A 143 -10.130 -5.443 -10.341 1.00 0.00 N ATOM 2256 CA ALA A 143 -9.144 -4.518 -9.797 1.00 0.00 C ATOM 2257 C ALA A 143 -8.489 -3.699 -10.905 1.00 0.00 C ATOM 2258 O ALA A 143 -8.330 -2.485 -10.782 1.00 0.00 O ATOM 2259 CB ALA A 143 -8.089 -5.277 -9.006 1.00 0.00 C ATOM 0 H ALA A 143 -9.969 -6.421 -10.101 1.00 0.00 H new ATOM 0 HA ALA A 143 -9.659 -3.829 -9.128 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -7.359 -4.574 -8.605 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -8.565 -5.813 -8.185 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -7.586 -5.989 -9.660 1.00 0.00 H new ATOM 2265 N LYS A 144 -8.111 -4.372 -11.986 1.00 0.00 N ATOM 2266 CA LYS A 144 -7.474 -3.708 -13.117 1.00 0.00 C ATOM 2267 C LYS A 144 -8.431 -2.721 -13.778 1.00 0.00 C ATOM 2268 O LYS A 144 -8.004 -1.775 -14.441 1.00 0.00 O ATOM 2269 CB LYS A 144 -7.001 -4.741 -14.142 1.00 0.00 C ATOM 2270 CG LYS A 144 -5.869 -5.621 -13.642 1.00 0.00 C ATOM 2271 CD LYS A 144 -5.918 -7.004 -14.270 1.00 0.00 C ATOM 2272 CE LYS A 144 -5.601 -6.952 -15.757 1.00 0.00 C ATOM 2273 NZ LYS A 144 -4.194 -6.536 -16.009 1.00 0.00 N ATOM 0 H LYS A 144 -8.235 -5.378 -12.103 1.00 0.00 H new ATOM 0 HA LYS A 144 -6.612 -3.156 -12.743 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -7.843 -5.373 -14.424 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -6.676 -4.223 -15.044 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -4.913 -5.150 -13.871 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -5.929 -5.711 -12.557 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -5.206 -7.658 -13.768 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -6.907 -7.437 -14.123 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -5.775 -7.933 -16.200 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -6.280 -6.255 -16.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -3.939 -6.753 -16.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -4.099 -5.514 -15.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -3.559 -7.050 -15.365 1.00 0.00 H new ATOM 2287 N LYS A 145 -9.727 -2.946 -13.592 1.00 0.00 N ATOM 2288 CA LYS A 145 -10.746 -2.076 -14.168 1.00 0.00 C ATOM 2289 C LYS A 145 -11.054 -0.908 -13.236 1.00 0.00 C ATOM 2290 O LYS A 145 -11.274 0.216 -13.684 1.00 0.00 O ATOM 2291 CB LYS A 145 -12.024 -2.869 -14.449 1.00 0.00 C ATOM 2292 CG LYS A 145 -11.770 -4.228 -15.077 1.00 0.00 C ATOM 2293 CD LYS A 145 -11.081 -4.099 -16.425 1.00 0.00 C ATOM 2294 CE LYS A 145 -12.031 -3.571 -17.489 1.00 0.00 C ATOM 2295 NZ LYS A 145 -11.902 -2.099 -17.667 1.00 0.00 N ATOM 0 H LYS A 145 -10.097 -3.724 -13.046 1.00 0.00 H new ATOM 0 HA LYS A 145 -10.360 -1.677 -15.106 1.00 0.00 H new ATOM 0 HB2 LYS A 145 -12.570 -3.006 -13.515 1.00 0.00 H new ATOM 0 HB3 LYS A 145 -12.665 -2.286 -15.110 1.00 0.00 H new ATOM 0 HG2 LYS A 145 -11.154 -4.829 -14.408 1.00 0.00 H new ATOM 0 HG3 LYS A 145 -12.716 -4.756 -15.200 1.00 0.00 H new ATOM 0 HD2 LYS A 145 -10.226 -3.429 -16.335 1.00 0.00 H new ATOM 0 HD3 LYS A 145 -10.694 -5.071 -16.731 1.00 0.00 H new ATOM 0 HE2 LYS A 145 -11.829 -4.070 -18.436 1.00 0.00 H new ATOM 0 HE3 LYS A 145 -13.057 -3.815 -17.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 -12.715 -1.623 -17.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 -11.024 -1.771 -17.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 -11.877 -1.873 -18.682 1.00 0.00 H new ATOM 2309 N GLY A 146 -11.066 -1.183 -11.934 1.00 0.00 N ATOM 2310 CA GLY A 146 -11.347 -0.145 -10.960 1.00 0.00 C ATOM 2311 C GLY A 146 -10.330 0.979 -11.001 1.00 0.00 C ATOM 2312 O GLY A 146 -10.489 1.995 -10.322 1.00 0.00 O ATOM 0 H GLY A 146 -10.886 -2.106 -11.538 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -12.341 0.262 -11.144 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -11.361 -0.582 -9.962 1.00 0.00 H new ATOM 2316 N LEU A 147 -9.282 0.797 -11.796 1.00 0.00 N ATOM 2317 CA LEU A 147 -8.233 1.804 -11.921 1.00 0.00 C ATOM 2318 C LEU A 147 -8.623 2.872 -12.938 1.00 0.00 C ATOM 2319 O LEU A 147 -7.762 3.497 -13.557 1.00 0.00 O ATOM 2320 CB LEU A 147 -6.915 1.147 -12.335 1.00 0.00 C ATOM 2321 CG LEU A 147 -6.363 0.090 -11.378 1.00 0.00 C ATOM 2322 CD1 LEU A 147 -5.055 -0.477 -11.905 1.00 0.00 C ATOM 2323 CD2 LEU A 147 -6.170 0.677 -9.987 1.00 0.00 C ATOM 0 H LEU A 147 -9.135 -0.038 -12.364 1.00 0.00 H new ATOM 0 HA LEU A 147 -8.104 2.282 -10.950 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -7.053 0.686 -13.313 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -6.164 1.928 -12.454 1.00 0.00 H new ATOM 0 HG LEU A 147 -7.086 -0.723 -11.310 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -4.678 -1.228 -11.210 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -5.224 -0.936 -12.879 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -4.324 0.326 -12.004 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -5.777 -0.090 -9.320 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -5.468 1.509 -10.037 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -7.127 1.033 -9.606 1.00 0.00 H new ATOM 2335 N MET A 148 -9.925 3.078 -13.104 1.00 0.00 N ATOM 2336 CA MET A 148 -10.428 4.073 -14.043 1.00 0.00 C ATOM 2337 C MET A 148 -11.030 5.264 -13.303 1.00 0.00 C ATOM 2338 O MET A 148 -11.661 5.104 -12.258 1.00 0.00 O ATOM 2339 CB MET A 148 -11.476 3.450 -14.968 1.00 0.00 C ATOM 2340 CG MET A 148 -12.726 2.981 -14.241 1.00 0.00 C ATOM 2341 SD MET A 148 -14.202 3.067 -15.272 1.00 0.00 S ATOM 2342 CE MET A 148 -13.820 1.835 -16.515 1.00 0.00 C ATOM 0 H MET A 148 -10.651 2.569 -12.600 1.00 0.00 H new ATOM 0 HA MET A 148 -9.589 4.426 -14.643 1.00 0.00 H new ATOM 0 HB2 MET A 148 -11.759 4.180 -15.727 1.00 0.00 H new ATOM 0 HB3 MET A 148 -11.030 2.604 -15.491 1.00 0.00 H new ATOM 0 HG2 MET A 148 -12.582 1.954 -13.904 1.00 0.00 H new ATOM 0 HG3 MET A 148 -12.874 3.591 -13.350 1.00 0.00 H new ATOM 0 HE1 MET A 148 -14.649 1.758 -17.218 1.00 0.00 H new ATOM 0 HE2 MET A 148 -12.916 2.126 -17.050 1.00 0.00 H new ATOM 0 HE3 MET A 148 -13.662 0.870 -16.034 1.00 0.00 H new ATOM 2352 N LYS A 149 -10.830 6.458 -13.851 1.00 0.00 N ATOM 2353 CA LYS A 149 -11.353 7.676 -13.244 1.00 0.00 C ATOM 2354 C LYS A 149 -11.227 7.624 -11.724 1.00 0.00 C ATOM 2355 O LYS A 149 -12.208 7.810 -11.005 1.00 0.00 O ATOM 2356 CB LYS A 149 -12.818 7.877 -13.637 1.00 0.00 C ATOM 2357 CG LYS A 149 -13.236 9.336 -13.702 1.00 0.00 C ATOM 2358 CD LYS A 149 -14.735 9.479 -13.900 1.00 0.00 C ATOM 2359 CE LYS A 149 -15.143 9.147 -15.328 1.00 0.00 C ATOM 2360 NZ LYS A 149 -14.758 10.225 -16.279 1.00 0.00 N ATOM 0 H LYS A 149 -10.309 6.608 -14.715 1.00 0.00 H new ATOM 0 HA LYS A 149 -10.765 8.517 -13.612 1.00 0.00 H new ATOM 0 HB2 LYS A 149 -12.991 7.414 -14.609 1.00 0.00 H new ATOM 0 HB3 LYS A 149 -13.453 7.358 -12.919 1.00 0.00 H new ATOM 0 HG2 LYS A 149 -12.940 9.841 -12.783 1.00 0.00 H new ATOM 0 HG3 LYS A 149 -12.711 9.829 -14.520 1.00 0.00 H new ATOM 0 HD2 LYS A 149 -15.259 8.820 -13.208 1.00 0.00 H new ATOM 0 HD3 LYS A 149 -15.039 10.498 -13.661 1.00 0.00 H new ATOM 0 HE2 LYS A 149 -14.674 8.211 -15.631 1.00 0.00 H new ATOM 0 HE3 LYS A 149 -16.221 8.993 -15.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 -15.211 10.054 -17.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 -15.069 11.145 -15.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 -13.725 10.231 -16.398 1.00 0.00 H new ATOM 2374 N GLN A 150 -10.013 7.373 -11.245 1.00 0.00 N ATOM 2375 CA GLN A 150 -9.759 7.298 -9.811 1.00 0.00 C ATOM 2376 C GLN A 150 -9.727 8.691 -9.190 1.00 0.00 C ATOM 2377 O GLN A 150 -10.637 9.076 -8.457 1.00 0.00 O ATOM 2378 CB GLN A 150 -8.437 6.577 -9.542 1.00 0.00 C ATOM 2379 CG GLN A 150 -8.078 5.549 -10.603 1.00 0.00 C ATOM 2380 CD GLN A 150 -7.186 4.446 -10.069 1.00 0.00 C ATOM 2381 OE1 GLN A 150 -7.716 3.649 -9.149 1.00 0.00 O flip ATOM 2382 NE2 GLN A 150 -6.033 4.312 -10.479 1.00 0.00 N flip ATOM 0 H GLN A 150 -9.191 7.218 -11.828 1.00 0.00 H new ATOM 0 HA GLN A 150 -10.572 6.734 -9.353 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -7.637 7.315 -9.477 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -8.493 6.082 -8.573 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -8.992 5.110 -11.002 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.576 6.048 -11.432 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -5.666 4.948 -11.187 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -5.444 3.565 -10.110 1.00 0.00 H new ATOM 2391 N ASN A 151 -8.673 9.443 -9.490 1.00 0.00 N ATOM 2392 CA ASN A 151 -8.522 10.793 -8.961 1.00 0.00 C ATOM 2393 C ASN A 151 -8.125 11.769 -10.064 1.00 0.00 C ATOM 2394 O ASN A 151 -7.424 11.404 -11.009 1.00 0.00 O ATOM 2395 CB ASN A 151 -7.473 10.813 -7.846 1.00 0.00 C ATOM 2396 CG ASN A 151 -7.726 9.748 -6.796 1.00 0.00 C ATOM 2397 OD1 ASN A 151 -8.850 9.272 -6.637 1.00 0.00 O ATOM 2398 ND2 ASN A 151 -6.678 9.370 -6.074 1.00 0.00 N ATOM 0 H ASN A 151 -7.911 9.140 -10.097 1.00 0.00 H new ATOM 0 HA ASN A 151 -9.483 11.105 -8.553 1.00 0.00 H new ATOM 0 HB2 ASN A 151 -6.484 10.665 -8.279 1.00 0.00 H new ATOM 0 HB3 ASN A 151 -7.470 11.794 -7.371 1.00 0.00 H new ATOM 0 HD21 ASN A 151 -6.786 8.657 -5.352 1.00 0.00 H new ATOM 0 HD22 ASN A 151 -5.765 9.792 -6.241 1.00 0.00 H new ATOM 2405 N LYS A 152 -8.578 13.012 -9.939 1.00 0.00 N ATOM 2406 CA LYS A 152 -8.270 14.042 -10.924 1.00 0.00 C ATOM 2407 C LYS A 152 -6.783 14.042 -11.264 1.00 0.00 C ATOM 2408 O LYS A 152 -6.402 14.209 -12.422 1.00 0.00 O ATOM 2409 CB LYS A 152 -8.684 15.419 -10.398 1.00 0.00 C ATOM 2410 CG LYS A 152 -10.173 15.691 -10.513 1.00 0.00 C ATOM 2411 CD LYS A 152 -10.902 15.362 -9.220 1.00 0.00 C ATOM 2412 CE LYS A 152 -12.324 14.894 -9.486 1.00 0.00 C ATOM 2413 NZ LYS A 152 -12.850 14.057 -8.372 1.00 0.00 N ATOM 0 H LYS A 152 -9.160 13.331 -9.164 1.00 0.00 H new ATOM 0 HA LYS A 152 -8.832 13.822 -11.832 1.00 0.00 H new ATOM 0 HB2 LYS A 152 -8.387 15.504 -9.353 1.00 0.00 H new ATOM 0 HB3 LYS A 152 -8.139 16.187 -10.947 1.00 0.00 H new ATOM 0 HG2 LYS A 152 -10.334 16.739 -10.766 1.00 0.00 H new ATOM 0 HG3 LYS A 152 -10.590 15.099 -11.328 1.00 0.00 H new ATOM 0 HD2 LYS A 152 -10.357 14.587 -8.681 1.00 0.00 H new ATOM 0 HD3 LYS A 152 -10.922 16.243 -8.578 1.00 0.00 H new ATOM 0 HE2 LYS A 152 -12.971 15.760 -9.626 1.00 0.00 H new ATOM 0 HE3 LYS A 152 -12.351 14.322 -10.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 -13.822 13.758 -8.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 -12.248 13.218 -8.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 -12.849 14.610 -7.491 1.00 0.00 H new ATOM 2427 N ALA A 153 -5.948 13.853 -10.248 1.00 0.00 N ATOM 2428 CA ALA A 153 -4.503 13.827 -10.440 1.00 0.00 C ATOM 2429 C ALA A 153 -4.090 12.668 -11.340 1.00 0.00 C ATOM 2430 O ALA A 153 -3.480 12.870 -12.390 1.00 0.00 O ATOM 2431 CB ALA A 153 -3.793 13.735 -9.098 1.00 0.00 C ATOM 0 H ALA A 153 -6.247 13.716 -9.283 1.00 0.00 H new ATOM 0 HA ALA A 153 -4.210 14.756 -10.930 1.00 0.00 H new ATOM 0 HB1 ALA A 153 -2.715 13.716 -9.257 1.00 0.00 H new ATOM 0 HB2 ALA A 153 -4.055 14.599 -8.488 1.00 0.00 H new ATOM 0 HB3 ALA A 153 -4.100 12.823 -8.586 1.00 0.00 H new ATOM 2437 N VAL A 154 -4.425 11.451 -10.922 1.00 0.00 N ATOM 2438 CA VAL A 154 -4.088 10.259 -11.690 1.00 0.00 C ATOM 2439 C VAL A 154 -4.809 10.250 -13.034 1.00 0.00 C ATOM 2440 O VAL A 154 -4.213 9.945 -14.067 1.00 0.00 O ATOM 2441 CB VAL A 154 -4.447 8.975 -10.919 1.00 0.00 C ATOM 2442 CG1 VAL A 154 -4.190 7.746 -11.779 1.00 0.00 C ATOM 2443 CG2 VAL A 154 -3.662 8.898 -9.618 1.00 0.00 C ATOM 0 H VAL A 154 -4.930 11.265 -10.055 1.00 0.00 H new ATOM 0 HA VAL A 154 -3.011 10.284 -11.858 1.00 0.00 H new ATOM 0 HB VAL A 154 -5.509 9.003 -10.675 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -4.449 6.848 -11.218 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -4.800 7.799 -12.681 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -3.136 7.709 -12.055 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -3.928 7.985 -9.086 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -2.594 8.892 -9.837 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -3.901 9.762 -8.997 1.00 0.00 H new TER 2453 VAL A 154