USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1084 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 123 LYS NZ :NH3+ -156:sc= 2.16 (180deg=0.826) USER MOD Set 1.2: A 125 SER OG : rot 24:sc= 0.844 USER MOD Set 2.1: A 41 CYS SG : rot 41:sc= 0.306 USER MOD Set 2.2: A 46 HIS :FLIP no HD1:sc= -0.352 F(o=-3,f=-0.046) USER MOD Set 3.1: A 7 HIS : no HE2:sc= 0.0108 K(o=2.2,f=-7.3!) USER MOD Set 3.2: A 42 SER OG : rot -47:sc= 2.17 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.0552 X(o=-0.055,f=-0.05) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HE2:sc= -0.718 K(o=-0.72,f=-3.8!) USER MOD Single : A 6 HIS :FLIP no HE2:sc=-0.00387 F(o=-0.5,f=-0.0039) USER MOD Single : A 13 HIS : no HD1:sc= 0.318 K(o=0.32,f=-3.5!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 27 SER OG : rot 67:sc= 0.716 USER MOD Single : A 30 LYS NZ :NH3+ 170:sc= 1.21 (180deg=0.995) USER MOD Single : A 31 SER OG : rot -84:sc= 1.78 USER MOD Single : A 32 HIS : no HE2:sc= -2.4! X(o=-2.4!,f=-2.2) USER MOD Single : A 33 MET CE :methyl 159:sc= -2.74! (180deg=-3.85!) USER MOD Single : A 47 THR OG1 : rot 175:sc= -0.777 USER MOD Single : A 52 TYR OH : rot -44:sc= 0.342 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.0034 X(o=-0.0034,f=0) USER MOD Single : A 59 HIS : +bothHN:sc= 0.00434 K(o=0.0043,f=-7.3!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0582) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 174:sc= -1.74! USER MOD Single : A 67 LYS NZ :NH3+ -169:sc= -0.0117 (180deg=-0.126) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN :FLIP amide:sc= -0.246 F(o=-0.86,f=-0.25) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0.042) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 103 GLN :FLIP amide:sc= 0.227 F(o=-3.2!,f=0.23) USER MOD Single : A 107 LYS NZ :NH3+ -155:sc= 0.158 (180deg=-0.172) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 ASN : amide:sc= -0.24 K(o=-0.24,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.543 -15.010 -8.468 1.00 23.23 N ATOM 2 CA GLY A 1 -30.017 -13.914 -7.661 1.00 61.11 C ATOM 3 C GLY A 1 -28.648 -13.504 -8.125 1.00 62.03 C ATOM 4 O GLY A 1 -27.645 -14.033 -7.657 1.00 41.25 O ATOM 0 H1 GLY A 1 -31.489 -15.271 -8.124 1.00 23.23 H new ATOM 0 H2 GLY A 1 -30.606 -14.710 -9.462 1.00 23.23 H new ATOM 0 H3 GLY A 1 -29.909 -15.831 -8.394 1.00 23.23 H new ATOM 0 HA2 GLY A 1 -30.693 -13.061 -7.717 1.00 61.11 H new ATOM 0 HA3 GLY A 1 -29.973 -14.218 -6.615 1.00 61.11 H new ATOM 10 N HIS A 2 -28.599 -12.572 -9.050 1.00 63.43 N ATOM 11 CA HIS A 2 -27.335 -12.123 -9.599 1.00 34.23 C ATOM 12 C HIS A 2 -26.658 -11.106 -8.681 1.00 42.41 C ATOM 13 O HIS A 2 -27.125 -9.971 -8.527 1.00 24.31 O ATOM 14 CB HIS A 2 -27.485 -11.594 -11.062 1.00 63.11 C ATOM 15 CG HIS A 2 -28.396 -10.402 -11.261 1.00 61.41 C ATOM 16 ND1 HIS A 2 -29.742 -10.519 -11.527 1.00 64.24 N ATOM 17 CD2 HIS A 2 -28.139 -9.071 -11.255 1.00 71.11 C ATOM 18 CE1 HIS A 2 -30.268 -9.320 -11.673 1.00 12.12 C ATOM 19 NE2 HIS A 2 -29.320 -8.427 -11.514 1.00 34.00 N ATOM 0 H HIS A 2 -29.420 -12.108 -9.440 1.00 63.43 H new ATOM 0 HA HIS A 2 -26.678 -12.991 -9.653 1.00 34.23 H new ATOM 0 HB2 HIS A 2 -26.494 -11.331 -11.433 1.00 63.11 H new ATOM 0 HB3 HIS A 2 -27.852 -12.411 -11.684 1.00 63.11 H new ATOM 0 HD2 HIS A 2 -27.181 -8.605 -11.079 1.00 71.11 H new ATOM 0 HE1 HIS A 2 -31.305 -9.108 -11.887 1.00 12.12 H new ATOM 0 HE2 HIS A 2 -29.443 -7.416 -11.574 1.00 34.00 H new ATOM 28 N HIS A 3 -25.588 -11.523 -8.042 1.00 53.02 N ATOM 29 CA HIS A 3 -24.851 -10.633 -7.169 1.00 3.21 C ATOM 30 C HIS A 3 -23.348 -10.866 -7.258 1.00 12.12 C ATOM 31 O HIS A 3 -22.599 -10.502 -6.345 1.00 4.52 O ATOM 32 CB HIS A 3 -25.352 -10.683 -5.702 1.00 1.15 C ATOM 33 CG HIS A 3 -25.222 -11.993 -4.989 1.00 45.04 C ATOM 34 ND1 HIS A 3 -24.174 -12.286 -4.154 1.00 44.03 N ATOM 35 CD2 HIS A 3 -26.036 -13.066 -4.959 1.00 51.14 C ATOM 36 CE1 HIS A 3 -24.349 -13.480 -3.644 1.00 2.24 C ATOM 37 NE2 HIS A 3 -25.470 -13.977 -4.113 1.00 61.34 N ATOM 0 H HIS A 3 -25.209 -12.468 -8.109 1.00 53.02 H new ATOM 0 HA HIS A 3 -25.046 -9.623 -7.529 1.00 3.21 H new ATOM 0 HB2 HIS A 3 -24.808 -9.930 -5.131 1.00 1.15 H new ATOM 0 HB3 HIS A 3 -26.403 -10.393 -5.692 1.00 1.15 H new ATOM 0 HD2 HIS A 3 -26.962 -13.184 -5.502 1.00 51.14 H new ATOM 0 HE1 HIS A 3 -23.682 -13.973 -2.953 1.00 2.24 H new ATOM 0 HE2 HIS A 3 -25.855 -14.893 -3.883 1.00 61.34 H new ATOM 46 N HIS A 4 -22.893 -11.429 -8.379 1.00 4.42 N ATOM 47 CA HIS A 4 -21.457 -11.601 -8.604 1.00 61.45 C ATOM 48 C HIS A 4 -20.839 -10.287 -9.035 1.00 40.34 C ATOM 49 O HIS A 4 -20.515 -10.081 -10.211 1.00 35.23 O ATOM 50 CB HIS A 4 -21.089 -12.703 -9.631 1.00 61.21 C ATOM 51 CG HIS A 4 -21.410 -14.106 -9.229 1.00 41.43 C ATOM 52 ND1 HIS A 4 -20.598 -14.855 -8.411 1.00 64.11 N ATOM 53 CD2 HIS A 4 -22.442 -14.908 -9.554 1.00 23.04 C ATOM 54 CE1 HIS A 4 -21.116 -16.048 -8.253 1.00 21.31 C ATOM 55 NE2 HIS A 4 -22.232 -16.106 -8.934 1.00 1.53 N ATOM 0 H HIS A 4 -23.488 -11.769 -9.135 1.00 4.42 H new ATOM 0 HA HIS A 4 -21.052 -11.932 -7.648 1.00 61.45 H new ATOM 0 HB2 HIS A 4 -21.605 -12.487 -10.567 1.00 61.21 H new ATOM 0 HB3 HIS A 4 -20.020 -12.640 -9.835 1.00 61.21 H new ATOM 0 HD2 HIS A 4 -23.279 -14.651 -10.187 1.00 23.04 H new ATOM 0 HE1 HIS A 4 -20.694 -16.847 -7.662 1.00 21.31 H new ATOM 0 HE2 HIS A 4 -22.847 -16.917 -8.992 1.00 1.53 H new ATOM 64 N HIS A 5 -20.745 -9.383 -8.108 1.00 13.45 N ATOM 65 CA HIS A 5 -20.158 -8.102 -8.335 1.00 51.52 C ATOM 66 C HIS A 5 -19.618 -7.592 -7.015 1.00 3.32 C ATOM 67 O HIS A 5 -20.199 -7.849 -5.960 1.00 22.23 O ATOM 68 CB HIS A 5 -21.204 -7.123 -8.932 1.00 72.42 C ATOM 69 CG HIS A 5 -20.651 -5.774 -9.311 1.00 3.25 C ATOM 70 ND1 HIS A 5 -20.227 -5.458 -10.577 1.00 13.31 N ATOM 71 CD2 HIS A 5 -20.441 -4.668 -8.570 1.00 72.14 C ATOM 72 CE1 HIS A 5 -19.776 -4.222 -10.592 1.00 11.20 C ATOM 73 NE2 HIS A 5 -19.893 -3.721 -9.386 1.00 45.40 N ATOM 0 H HIS A 5 -21.081 -9.520 -7.155 1.00 13.45 H new ATOM 0 HA HIS A 5 -19.344 -8.180 -9.056 1.00 51.52 H new ATOM 0 HB2 HIS A 5 -21.649 -7.581 -9.816 1.00 72.42 H new ATOM 0 HB3 HIS A 5 -22.006 -6.982 -8.208 1.00 72.42 H new ATOM 0 HD1 HIS A 5 -20.257 -6.084 -11.382 1.00 13.31 H new ATOM 0 HD2 HIS A 5 -20.666 -4.552 -7.520 1.00 72.14 H new ATOM 0 HE1 HIS A 5 -19.377 -3.707 -11.453 1.00 11.20 H new ATOM 82 N HIS A 6 -18.520 -6.909 -7.067 1.00 4.34 N ATOM 83 CA HIS A 6 -17.890 -6.373 -5.892 1.00 23.32 C ATOM 84 C HIS A 6 -17.527 -4.905 -6.069 1.00 30.33 C ATOM 85 O HIS A 6 -16.833 -4.544 -7.010 1.00 52.20 O ATOM 86 CB HIS A 6 -16.676 -7.240 -5.442 1.00 22.45 C ATOM 87 CG HIS A 6 -15.668 -7.586 -6.526 1.00 12.51 C ATOM 88 ND1 HIS A 6 -14.899 -6.812 -7.312 1.00 22.41 N flip ATOM 89 CD2 HIS A 6 -15.358 -8.883 -6.872 1.00 73.01 C flip ATOM 90 CE1 HIS A 6 -14.156 -7.637 -8.100 1.00 71.41 C flip ATOM 91 NE2 HIS A 6 -14.448 -8.878 -7.816 1.00 73.03 N flip ATOM 0 H HIS A 6 -18.025 -6.702 -7.935 1.00 4.34 H new ATOM 0 HA HIS A 6 -18.618 -6.417 -5.081 1.00 23.32 H new ATOM 0 HB2 HIS A 6 -16.154 -6.713 -4.643 1.00 22.45 H new ATOM 0 HB3 HIS A 6 -17.056 -8.169 -5.016 1.00 22.45 H new ATOM 0 HD1 HIS A 6 -14.876 -5.792 -7.317 1.00 22.41 H new ATOM 0 HD2 HIS A 6 -15.797 -9.767 -6.434 1.00 73.01 H new ATOM 0 HE1 HIS A 6 -13.439 -7.316 -8.842 1.00 71.41 H new ATOM 100 N HIS A 7 -18.074 -4.075 -5.177 1.00 30.15 N ATOM 101 CA HIS A 7 -17.809 -2.619 -5.104 1.00 53.42 C ATOM 102 C HIS A 7 -18.229 -1.853 -6.368 1.00 43.31 C ATOM 103 O HIS A 7 -18.708 -2.430 -7.334 1.00 11.34 O ATOM 104 CB HIS A 7 -16.339 -2.327 -4.779 1.00 50.50 C ATOM 105 CG HIS A 7 -15.866 -2.856 -3.464 1.00 13.34 C ATOM 106 ND1 HIS A 7 -16.098 -2.212 -2.275 1.00 32.42 N ATOM 107 CD2 HIS A 7 -15.159 -3.961 -3.156 1.00 1.31 C ATOM 108 CE1 HIS A 7 -15.553 -2.894 -1.294 1.00 11.34 C ATOM 109 NE2 HIS A 7 -14.976 -3.959 -1.801 1.00 40.20 N ATOM 0 H HIS A 7 -18.730 -4.395 -4.465 1.00 30.15 H new ATOM 0 HA HIS A 7 -18.435 -2.256 -4.289 1.00 53.42 H new ATOM 0 HB2 HIS A 7 -15.717 -2.749 -5.568 1.00 50.50 H new ATOM 0 HB3 HIS A 7 -16.186 -1.248 -4.796 1.00 50.50 H new ATOM 0 HD1 HIS A 7 -16.614 -1.339 -2.169 1.00 32.42 H new ATOM 0 HD2 HIS A 7 -14.803 -4.708 -3.850 1.00 1.31 H new ATOM 0 HE1 HIS A 7 -15.576 -2.625 -0.248 1.00 11.34 H new ATOM 118 N LEU A 8 -18.069 -0.547 -6.332 1.00 30.22 N ATOM 119 CA LEU A 8 -18.374 0.311 -7.473 1.00 71.51 C ATOM 120 C LEU A 8 -17.263 1.322 -7.656 1.00 23.32 C ATOM 121 O LEU A 8 -16.715 1.489 -8.752 1.00 13.53 O ATOM 122 CB LEU A 8 -19.715 1.046 -7.282 1.00 74.14 C ATOM 123 CG LEU A 8 -20.983 0.183 -7.228 1.00 30.22 C ATOM 124 CD1 LEU A 8 -22.193 1.055 -6.940 1.00 74.53 C ATOM 125 CD2 LEU A 8 -21.178 -0.560 -8.545 1.00 22.43 C ATOM 0 H LEU A 8 -17.724 -0.044 -5.514 1.00 30.22 H new ATOM 0 HA LEU A 8 -18.456 -0.318 -8.359 1.00 71.51 H new ATOM 0 HB2 LEU A 8 -19.657 1.621 -6.358 1.00 74.14 H new ATOM 0 HB3 LEU A 8 -19.827 1.762 -8.096 1.00 74.14 H new ATOM 0 HG LEU A 8 -20.872 -0.549 -6.428 1.00 30.22 H new ATOM 0 HD11 LEU A 8 -23.088 0.434 -6.903 1.00 74.53 H new ATOM 0 HD12 LEU A 8 -22.060 1.557 -5.982 1.00 74.53 H new ATOM 0 HD13 LEU A 8 -22.300 1.800 -7.728 1.00 74.53 H new ATOM 0 HD21 LEU A 8 -22.081 -1.167 -8.490 1.00 22.43 H new ATOM 0 HD22 LEU A 8 -21.274 0.160 -9.358 1.00 22.43 H new ATOM 0 HD23 LEU A 8 -20.319 -1.204 -8.730 1.00 22.43 H new ATOM 137 N GLU A 9 -16.935 1.981 -6.581 1.00 61.11 N ATOM 138 CA GLU A 9 -15.903 2.979 -6.552 1.00 72.30 C ATOM 139 C GLU A 9 -14.688 2.558 -5.715 1.00 52.03 C ATOM 140 O GLU A 9 -14.787 2.274 -4.509 1.00 12.11 O ATOM 141 CB GLU A 9 -16.471 4.367 -6.165 1.00 4.34 C ATOM 142 CG GLU A 9 -17.759 4.345 -5.322 1.00 40.42 C ATOM 143 CD GLU A 9 -17.646 3.614 -4.013 1.00 2.33 C ATOM 144 OE1 GLU A 9 -17.781 2.352 -4.009 1.00 12.02 O ATOM 145 OE2 GLU A 9 -17.449 4.270 -2.971 1.00 13.10 O ATOM 0 H GLU A 9 -17.388 1.836 -5.679 1.00 61.11 H new ATOM 0 HA GLU A 9 -15.519 3.075 -7.567 1.00 72.30 H new ATOM 0 HB2 GLU A 9 -15.706 4.912 -5.613 1.00 4.34 H new ATOM 0 HB3 GLU A 9 -16.665 4.928 -7.079 1.00 4.34 H new ATOM 0 HG2 GLU A 9 -18.063 5.373 -5.123 1.00 40.42 H new ATOM 0 HG3 GLU A 9 -18.553 3.886 -5.911 1.00 40.42 H new ATOM 152 N LEU A 10 -13.553 2.490 -6.384 1.00 72.31 N ATOM 153 CA LEU A 10 -12.294 2.080 -5.783 1.00 41.53 C ATOM 154 C LEU A 10 -11.227 3.053 -6.227 1.00 74.02 C ATOM 155 O LEU A 10 -11.173 3.402 -7.413 1.00 73.51 O ATOM 156 CB LEU A 10 -11.853 0.659 -6.249 1.00 13.43 C ATOM 157 CG LEU A 10 -12.753 -0.562 -5.957 1.00 33.31 C ATOM 158 CD1 LEU A 10 -13.054 -0.691 -4.490 1.00 52.43 C ATOM 159 CD2 LEU A 10 -14.026 -0.557 -6.788 1.00 11.11 C ATOM 0 H LEU A 10 -13.476 2.721 -7.375 1.00 72.31 H new ATOM 0 HA LEU A 10 -12.427 2.064 -4.701 1.00 41.53 H new ATOM 0 HB2 LEU A 10 -11.706 0.703 -7.328 1.00 13.43 H new ATOM 0 HB3 LEU A 10 -10.879 0.459 -5.802 1.00 13.43 H new ATOM 0 HG LEU A 10 -12.186 -1.444 -6.256 1.00 33.31 H new ATOM 0 HD11 LEU A 10 -13.689 -1.561 -4.324 1.00 52.43 H new ATOM 0 HD12 LEU A 10 -12.123 -0.811 -3.937 1.00 52.43 H new ATOM 0 HD13 LEU A 10 -13.569 0.205 -4.144 1.00 52.43 H new ATOM 0 HD21 LEU A 10 -14.623 -1.436 -6.545 1.00 11.11 H new ATOM 0 HD22 LEU A 10 -14.600 0.343 -6.569 1.00 11.11 H new ATOM 0 HD23 LEU A 10 -13.769 -0.575 -7.847 1.00 11.11 H new ATOM 171 N GLU A 11 -10.391 3.486 -5.315 1.00 73.12 N ATOM 172 CA GLU A 11 -9.312 4.417 -5.644 1.00 53.12 C ATOM 173 C GLU A 11 -8.042 4.054 -4.916 1.00 0.21 C ATOM 174 O GLU A 11 -8.088 3.476 -3.840 1.00 53.23 O ATOM 175 CB GLU A 11 -9.677 5.858 -5.288 1.00 11.45 C ATOM 176 CG GLU A 11 -10.859 6.419 -6.034 1.00 23.01 C ATOM 177 CD GLU A 11 -11.101 7.855 -5.691 1.00 24.00 C ATOM 178 OE1 GLU A 11 -10.329 8.718 -6.162 1.00 62.15 O ATOM 179 OE2 GLU A 11 -12.044 8.145 -4.930 1.00 73.31 O ATOM 0 H GLU A 11 -10.428 3.214 -4.333 1.00 73.12 H new ATOM 0 HA GLU A 11 -9.158 4.342 -6.720 1.00 53.12 H new ATOM 0 HB2 GLU A 11 -9.883 5.911 -4.219 1.00 11.45 H new ATOM 0 HB3 GLU A 11 -8.812 6.493 -5.478 1.00 11.45 H new ATOM 0 HG2 GLU A 11 -10.690 6.325 -7.107 1.00 23.01 H new ATOM 0 HG3 GLU A 11 -11.748 5.834 -5.799 1.00 23.01 H new ATOM 186 N VAL A 12 -6.920 4.387 -5.508 1.00 44.52 N ATOM 187 CA VAL A 12 -5.618 4.195 -4.901 1.00 62.25 C ATOM 188 C VAL A 12 -4.670 5.285 -5.235 1.00 40.52 C ATOM 189 O VAL A 12 -4.620 5.758 -6.366 1.00 11.03 O ATOM 190 CB VAL A 12 -4.935 2.839 -5.197 1.00 71.12 C ATOM 191 CG1 VAL A 12 -5.298 1.824 -4.153 1.00 41.22 C ATOM 192 CG2 VAL A 12 -5.289 2.336 -6.591 1.00 52.40 C ATOM 0 H VAL A 12 -6.882 4.805 -6.438 1.00 44.52 H new ATOM 0 HA VAL A 12 -5.851 4.206 -3.836 1.00 62.25 H new ATOM 0 HB VAL A 12 -3.856 2.992 -5.164 1.00 71.12 H new ATOM 0 HG11 VAL A 12 -4.807 0.877 -4.380 1.00 41.22 H new ATOM 0 HG12 VAL A 12 -4.972 2.176 -3.174 1.00 41.22 H new ATOM 0 HG13 VAL A 12 -6.378 1.680 -4.146 1.00 41.22 H new ATOM 0 HG21 VAL A 12 -4.794 1.381 -6.770 1.00 52.40 H new ATOM 0 HG22 VAL A 12 -6.368 2.205 -6.667 1.00 52.40 H new ATOM 0 HG23 VAL A 12 -4.958 3.061 -7.334 1.00 52.40 H new ATOM 202 N HIS A 13 -3.942 5.694 -4.240 1.00 22.32 N ATOM 203 CA HIS A 13 -2.889 6.665 -4.376 1.00 72.14 C ATOM 204 C HIS A 13 -2.086 6.657 -3.107 1.00 32.21 C ATOM 205 O HIS A 13 -2.630 6.425 -2.035 1.00 53.02 O ATOM 206 CB HIS A 13 -3.411 8.107 -4.684 1.00 23.33 C ATOM 207 CG HIS A 13 -4.209 8.761 -3.587 1.00 33.55 C ATOM 208 ND1 HIS A 13 -3.755 9.843 -2.866 1.00 23.12 N ATOM 209 CD2 HIS A 13 -5.435 8.493 -3.111 1.00 52.12 C ATOM 210 CE1 HIS A 13 -4.664 10.204 -1.995 1.00 41.51 C ATOM 211 NE2 HIS A 13 -5.696 9.403 -2.122 1.00 3.14 N ATOM 0 H HIS A 13 -4.064 5.355 -3.286 1.00 22.32 H new ATOM 0 HA HIS A 13 -2.276 6.386 -5.233 1.00 72.14 H new ATOM 0 HB2 HIS A 13 -2.555 8.742 -4.914 1.00 23.33 H new ATOM 0 HB3 HIS A 13 -4.028 8.066 -5.582 1.00 23.33 H new ATOM 0 HD2 HIS A 13 -6.094 7.705 -3.446 1.00 52.12 H new ATOM 0 HE1 HIS A 13 -4.579 11.020 -1.293 1.00 41.51 H new ATOM 0 HE2 HIS A 13 -6.554 9.451 -1.573 1.00 3.14 H new ATOM 220 N ILE A 14 -0.827 6.847 -3.230 1.00 15.44 N ATOM 221 CA ILE A 14 0.052 6.947 -2.082 1.00 42.02 C ATOM 222 C ILE A 14 0.218 8.438 -1.748 1.00 22.13 C ATOM 223 O ILE A 14 0.905 9.162 -2.467 1.00 10.43 O ATOM 224 CB ILE A 14 1.442 6.311 -2.391 1.00 24.30 C ATOM 225 CG1 ILE A 14 1.276 4.849 -2.825 1.00 53.12 C ATOM 226 CG2 ILE A 14 2.383 6.406 -1.186 1.00 14.34 C ATOM 227 CD1 ILE A 14 2.579 4.147 -3.162 1.00 5.15 C ATOM 0 H ILE A 14 -0.354 6.941 -4.129 1.00 15.44 H new ATOM 0 HA ILE A 14 -0.377 6.408 -1.237 1.00 42.02 H new ATOM 0 HB ILE A 14 1.891 6.874 -3.209 1.00 24.30 H new ATOM 0 HG12 ILE A 14 0.776 4.300 -2.027 1.00 53.12 H new ATOM 0 HG13 ILE A 14 0.621 4.813 -3.696 1.00 53.12 H new ATOM 0 HG21 ILE A 14 3.342 5.953 -1.437 1.00 14.34 H new ATOM 0 HG22 ILE A 14 2.534 7.453 -0.924 1.00 14.34 H new ATOM 0 HG23 ILE A 14 1.944 5.879 -0.339 1.00 14.34 H new ATOM 0 HD11 ILE A 14 2.372 3.119 -3.459 1.00 5.15 H new ATOM 0 HD12 ILE A 14 3.072 4.669 -3.982 1.00 5.15 H new ATOM 0 HD13 ILE A 14 3.230 4.148 -2.288 1.00 5.15 H new ATOM 239 N PRO A 15 -0.477 8.942 -0.698 1.00 74.35 N ATOM 240 CA PRO A 15 -0.433 10.367 -0.342 1.00 70.25 C ATOM 241 C PRO A 15 0.918 10.842 0.191 1.00 53.13 C ATOM 242 O PRO A 15 1.307 11.999 -0.027 1.00 64.12 O ATOM 243 CB PRO A 15 -1.510 10.496 0.742 1.00 51.34 C ATOM 244 CG PRO A 15 -1.627 9.134 1.321 1.00 1.21 C ATOM 245 CD PRO A 15 -1.397 8.190 0.184 1.00 70.44 C ATOM 0 HA PRO A 15 -0.597 10.989 -1.222 1.00 70.25 H new ATOM 0 HB2 PRO A 15 -1.224 11.225 1.500 1.00 51.34 H new ATOM 0 HB3 PRO A 15 -2.458 10.830 0.320 1.00 51.34 H new ATOM 0 HG2 PRO A 15 -0.893 8.980 2.112 1.00 1.21 H new ATOM 0 HG3 PRO A 15 -2.611 8.980 1.765 1.00 1.21 H new ATOM 0 HD2 PRO A 15 -0.955 7.253 0.522 1.00 70.44 H new ATOM 0 HD3 PRO A 15 -2.327 7.938 -0.325 1.00 70.44 H new ATOM 253 N SER A 16 1.651 9.969 0.851 1.00 22.40 N ATOM 254 CA SER A 16 2.896 10.374 1.441 1.00 72.50 C ATOM 255 C SER A 16 3.810 9.201 1.751 1.00 55.11 C ATOM 256 O SER A 16 3.346 8.055 1.965 1.00 31.41 O ATOM 257 CB SER A 16 2.622 11.201 2.714 1.00 44.41 C ATOM 258 OG SER A 16 1.809 10.475 3.641 1.00 23.43 O ATOM 0 H SER A 16 1.405 8.989 0.988 1.00 22.40 H new ATOM 0 HA SER A 16 3.421 10.988 0.709 1.00 72.50 H new ATOM 0 HB2 SER A 16 3.567 11.468 3.187 1.00 44.41 H new ATOM 0 HB3 SER A 16 2.126 12.133 2.445 1.00 44.41 H new ATOM 0 HG SER A 16 1.653 11.023 4.438 1.00 23.43 H new ATOM 264 N VAL A 17 5.097 9.480 1.734 1.00 12.50 N ATOM 265 CA VAL A 17 6.101 8.547 2.155 1.00 2.33 C ATOM 266 C VAL A 17 6.898 9.271 3.185 1.00 32.30 C ATOM 267 O VAL A 17 7.301 10.413 2.955 1.00 62.30 O ATOM 268 CB VAL A 17 7.089 8.141 1.034 1.00 61.23 C ATOM 269 CG1 VAL A 17 7.956 6.960 1.469 1.00 25.30 C ATOM 270 CG2 VAL A 17 6.403 7.872 -0.276 1.00 4.42 C ATOM 0 H VAL A 17 5.472 10.376 1.422 1.00 12.50 H new ATOM 0 HA VAL A 17 5.609 7.636 2.495 1.00 2.33 H new ATOM 0 HB VAL A 17 7.743 8.996 0.864 1.00 61.23 H new ATOM 0 HG11 VAL A 17 8.641 6.695 0.663 1.00 25.30 H new ATOM 0 HG12 VAL A 17 8.528 7.235 2.355 1.00 25.30 H new ATOM 0 HG13 VAL A 17 7.319 6.106 1.699 1.00 25.30 H new ATOM 0 HG21 VAL A 17 7.144 7.592 -1.024 1.00 4.42 H new ATOM 0 HG22 VAL A 17 5.688 7.059 -0.152 1.00 4.42 H new ATOM 0 HG23 VAL A 17 5.879 8.770 -0.603 1.00 4.42 H new ATOM 280 N GLY A 18 7.128 8.668 4.285 1.00 53.14 N ATOM 281 CA GLY A 18 7.848 9.330 5.291 1.00 23.51 C ATOM 282 C GLY A 18 8.587 8.379 6.116 1.00 71.30 C ATOM 283 O GLY A 18 8.259 7.202 6.137 1.00 10.14 O ATOM 0 H GLY A 18 6.828 7.719 4.510 1.00 53.14 H new ATOM 0 HA2 GLY A 18 8.540 10.041 4.840 1.00 23.51 H new ATOM 0 HA3 GLY A 18 7.164 9.904 5.916 1.00 23.51 H new ATOM 287 N PRO A 19 9.574 8.832 6.821 1.00 64.11 N ATOM 288 CA PRO A 19 10.394 7.992 7.660 1.00 41.53 C ATOM 289 C PRO A 19 9.721 7.774 9.029 1.00 22.42 C ATOM 290 O PRO A 19 10.363 7.815 10.075 1.00 4.31 O ATOM 291 CB PRO A 19 11.657 8.835 7.733 1.00 65.34 C ATOM 292 CG PRO A 19 11.165 10.225 7.812 1.00 14.12 C ATOM 293 CD PRO A 19 9.988 10.264 6.899 1.00 45.11 C ATOM 0 HA PRO A 19 10.571 6.979 7.299 1.00 41.53 H new ATOM 0 HB2 PRO A 19 12.258 8.576 8.605 1.00 65.34 H new ATOM 0 HB3 PRO A 19 12.286 8.685 6.856 1.00 65.34 H new ATOM 0 HG2 PRO A 19 10.884 10.488 8.832 1.00 14.12 H new ATOM 0 HG3 PRO A 19 11.931 10.934 7.500 1.00 14.12 H new ATOM 0 HD2 PRO A 19 9.191 10.893 7.295 1.00 45.11 H new ATOM 0 HD3 PRO A 19 10.251 10.662 5.919 1.00 45.11 H new ATOM 301 N GLU A 20 8.434 7.417 8.957 1.00 64.12 N ATOM 302 CA GLU A 20 7.538 7.282 10.124 1.00 45.33 C ATOM 303 C GLU A 20 7.916 6.062 10.959 1.00 63.00 C ATOM 304 O GLU A 20 7.753 6.049 12.180 1.00 72.31 O ATOM 305 CB GLU A 20 6.076 7.067 9.670 1.00 65.23 C ATOM 306 CG GLU A 20 5.539 8.012 8.599 1.00 50.51 C ATOM 307 CD GLU A 20 5.587 9.469 8.984 1.00 11.51 C ATOM 308 OE1 GLU A 20 4.707 9.927 9.742 1.00 42.03 O ATOM 309 OE2 GLU A 20 6.461 10.191 8.491 1.00 2.10 O ATOM 0 H GLU A 20 7.972 7.209 8.072 1.00 64.12 H new ATOM 0 HA GLU A 20 7.637 8.199 10.705 1.00 45.33 H new ATOM 0 HB2 GLU A 20 5.983 6.046 9.299 1.00 65.23 H new ATOM 0 HB3 GLU A 20 5.433 7.148 10.547 1.00 65.23 H new ATOM 0 HG2 GLU A 20 6.113 7.870 7.683 1.00 50.51 H new ATOM 0 HG3 GLU A 20 4.508 7.740 8.374 1.00 50.51 H new ATOM 316 N ALA A 21 8.397 5.039 10.294 1.00 71.22 N ATOM 317 CA ALA A 21 8.701 3.781 10.939 1.00 43.53 C ATOM 318 C ALA A 21 10.006 3.865 11.693 1.00 22.13 C ATOM 319 O ALA A 21 10.799 4.781 11.476 1.00 13.34 O ATOM 320 CB ALA A 21 8.738 2.648 9.920 1.00 51.41 C ATOM 0 H ALA A 21 8.589 5.053 9.292 1.00 71.22 H new ATOM 0 HA ALA A 21 7.909 3.568 11.657 1.00 43.53 H new ATOM 0 HB1 ALA A 21 8.968 1.711 10.426 1.00 51.41 H new ATOM 0 HB2 ALA A 21 7.767 2.567 9.431 1.00 51.41 H new ATOM 0 HB3 ALA A 21 9.505 2.855 9.173 1.00 51.41 H new ATOM 326 N GLU A 22 10.202 2.961 12.613 1.00 73.23 N ATOM 327 CA GLU A 22 11.438 2.882 13.346 1.00 21.12 C ATOM 328 C GLU A 22 11.972 1.447 13.367 1.00 71.43 C ATOM 329 O GLU A 22 11.254 0.524 13.761 1.00 22.43 O ATOM 330 CB GLU A 22 11.276 3.434 14.770 1.00 73.30 C ATOM 331 CG GLU A 22 10.188 2.765 15.595 1.00 63.53 C ATOM 332 CD GLU A 22 10.164 3.265 17.004 1.00 31.04 C ATOM 333 OE1 GLU A 22 10.961 2.772 17.824 1.00 42.54 O ATOM 334 OE2 GLU A 22 9.370 4.169 17.317 1.00 64.33 O ATOM 0 H GLU A 22 9.511 2.258 12.876 1.00 73.23 H new ATOM 0 HA GLU A 22 12.171 3.504 12.832 1.00 21.12 H new ATOM 0 HB2 GLU A 22 12.226 3.330 15.295 1.00 73.30 H new ATOM 0 HB3 GLU A 22 11.061 4.501 14.708 1.00 73.30 H new ATOM 0 HG2 GLU A 22 9.219 2.945 15.130 1.00 63.53 H new ATOM 0 HG3 GLU A 22 10.346 1.686 15.596 1.00 63.53 H new ATOM 341 N GLY A 23 13.213 1.274 12.917 1.00 20.42 N ATOM 342 CA GLY A 23 13.882 -0.037 12.940 1.00 52.33 C ATOM 343 C GLY A 23 13.168 -1.129 12.136 1.00 23.43 C ATOM 344 O GLY A 23 12.331 -1.855 12.679 1.00 13.40 O ATOM 0 H GLY A 23 13.783 2.026 12.529 1.00 20.42 H new ATOM 0 HA2 GLY A 23 14.894 0.079 12.552 1.00 52.33 H new ATOM 0 HA3 GLY A 23 13.973 -0.366 13.975 1.00 52.33 H new ATOM 348 N PRO A 24 13.474 -1.277 10.835 1.00 12.33 N ATOM 349 CA PRO A 24 12.854 -2.305 10.010 1.00 45.31 C ATOM 350 C PRO A 24 13.517 -3.683 10.210 1.00 44.41 C ATOM 351 O PRO A 24 14.368 -3.859 11.098 1.00 31.24 O ATOM 352 CB PRO A 24 13.083 -1.792 8.587 1.00 34.10 C ATOM 353 CG PRO A 24 14.338 -0.989 8.657 1.00 53.21 C ATOM 354 CD PRO A 24 14.444 -0.458 10.066 1.00 21.23 C ATOM 0 HA PRO A 24 11.803 -2.459 10.255 1.00 45.31 H new ATOM 0 HB2 PRO A 24 13.183 -2.618 7.882 1.00 34.10 H new ATOM 0 HB3 PRO A 24 12.245 -1.183 8.248 1.00 34.10 H new ATOM 0 HG2 PRO A 24 15.204 -1.604 8.410 1.00 53.21 H new ATOM 0 HG3 PRO A 24 14.313 -0.171 7.937 1.00 53.21 H new ATOM 0 HD2 PRO A 24 15.455 -0.566 10.458 1.00 21.23 H new ATOM 0 HD3 PRO A 24 14.196 0.602 10.112 1.00 21.23 H new ATOM 362 N ARG A 25 13.132 -4.639 9.383 1.00 2.22 N ATOM 363 CA ARG A 25 13.673 -6.003 9.426 1.00 11.05 C ATOM 364 C ARG A 25 15.095 -5.997 8.786 1.00 73.42 C ATOM 365 O ARG A 25 15.572 -4.926 8.419 1.00 63.31 O ATOM 366 CB ARG A 25 12.682 -6.927 8.675 1.00 53.22 C ATOM 367 CG ARG A 25 12.987 -8.413 8.709 1.00 44.30 C ATOM 368 CD ARG A 25 11.884 -9.204 8.036 1.00 75.22 C ATOM 369 NE ARG A 25 12.163 -10.639 8.031 1.00 23.30 N ATOM 370 CZ ARG A 25 11.244 -11.600 8.184 1.00 51.01 C ATOM 371 NH1 ARG A 25 9.975 -11.287 8.428 1.00 32.05 N ATOM 372 NH2 ARG A 25 11.599 -12.873 8.097 1.00 31.20 N ATOM 0 H ARG A 25 12.431 -4.499 8.655 1.00 2.22 H new ATOM 0 HA ARG A 25 13.779 -6.374 10.445 1.00 11.05 H new ATOM 0 HB2 ARG A 25 11.687 -6.773 9.093 1.00 53.22 H new ATOM 0 HB3 ARG A 25 12.642 -6.610 7.633 1.00 53.22 H new ATOM 0 HG2 ARG A 25 13.936 -8.606 8.209 1.00 44.30 H new ATOM 0 HG3 ARG A 25 13.099 -8.742 9.742 1.00 44.30 H new ATOM 0 HD2 ARG A 25 10.941 -9.020 8.550 1.00 75.22 H new ATOM 0 HD3 ARG A 25 11.762 -8.855 7.011 1.00 75.22 H new ATOM 0 HE ARG A 25 13.132 -10.930 7.901 1.00 23.30 H new ATOM 0 HH11 ARG A 25 9.696 -10.309 8.500 1.00 32.05 H new ATOM 0 HH12 ARG A 25 9.281 -12.025 8.543 1.00 32.05 H new ATOM 0 HH21 ARG A 25 12.572 -13.120 7.914 1.00 31.20 H new ATOM 0 HH22 ARG A 25 10.900 -13.607 8.213 1.00 31.20 H new ATOM 386 N GLN A 26 15.773 -7.164 8.694 1.00 72.12 N ATOM 387 CA GLN A 26 17.108 -7.269 8.058 1.00 21.12 C ATOM 388 C GLN A 26 17.075 -6.664 6.656 1.00 2.53 C ATOM 389 O GLN A 26 16.572 -7.270 5.704 1.00 74.21 O ATOM 390 CB GLN A 26 17.567 -8.731 7.983 1.00 20.11 C ATOM 391 CG GLN A 26 18.943 -8.921 7.342 1.00 2.25 C ATOM 392 CD GLN A 26 19.331 -10.379 7.208 1.00 44.10 C ATOM 393 OE1 GLN A 26 18.932 -11.216 8.007 1.00 24.00 O ATOM 394 NE2 GLN A 26 20.101 -10.696 6.197 1.00 63.34 N ATOM 0 H GLN A 26 15.416 -8.050 9.053 1.00 72.12 H new ATOM 0 HA GLN A 26 17.818 -6.715 8.671 1.00 21.12 H new ATOM 0 HB2 GLN A 26 17.587 -9.147 8.990 1.00 20.11 H new ATOM 0 HB3 GLN A 26 16.832 -9.303 7.417 1.00 20.11 H new ATOM 0 HG2 GLN A 26 18.947 -8.456 6.356 1.00 2.25 H new ATOM 0 HG3 GLN A 26 19.693 -8.404 7.941 1.00 2.25 H new ATOM 0 HE21 GLN A 26 20.416 -9.973 5.549 1.00 63.34 H new ATOM 0 HE22 GLN A 26 20.386 -11.665 6.057 1.00 63.34 H new ATOM 403 N SER A 27 17.547 -5.457 6.558 1.00 51.11 N ATOM 404 CA SER A 27 17.498 -4.729 5.342 1.00 71.03 C ATOM 405 C SER A 27 18.882 -4.325 4.852 1.00 55.12 C ATOM 406 O SER A 27 19.672 -3.778 5.620 1.00 72.31 O ATOM 407 CB SER A 27 16.652 -3.496 5.562 1.00 13.13 C ATOM 408 OG SER A 27 15.388 -3.849 6.037 1.00 54.31 O ATOM 0 H SER A 27 17.979 -4.952 7.332 1.00 51.11 H new ATOM 0 HA SER A 27 17.065 -5.369 4.574 1.00 71.03 H new ATOM 0 HB2 SER A 27 17.143 -2.833 6.275 1.00 13.13 H new ATOM 0 HB3 SER A 27 16.555 -2.943 4.628 1.00 13.13 H new ATOM 0 HG SER A 27 15.470 -4.222 6.940 1.00 54.31 H new ATOM 414 N PRO A 28 19.190 -4.569 3.563 1.00 74.41 N ATOM 415 CA PRO A 28 20.432 -4.081 2.939 1.00 30.41 C ATOM 416 C PRO A 28 20.254 -2.611 2.502 1.00 33.15 C ATOM 417 O PRO A 28 21.146 -1.988 1.928 1.00 42.52 O ATOM 418 CB PRO A 28 20.584 -4.994 1.722 1.00 33.53 C ATOM 419 CG PRO A 28 19.184 -5.354 1.338 1.00 74.12 C ATOM 420 CD PRO A 28 18.376 -5.378 2.615 1.00 23.33 C ATOM 0 HA PRO A 28 21.298 -4.105 3.600 1.00 30.41 H new ATOM 0 HB2 PRO A 28 21.099 -4.485 0.907 1.00 33.53 H new ATOM 0 HB3 PRO A 28 21.169 -5.882 1.964 1.00 33.53 H new ATOM 0 HG2 PRO A 28 18.776 -4.627 0.636 1.00 74.12 H new ATOM 0 HG3 PRO A 28 19.156 -6.325 0.844 1.00 74.12 H new ATOM 0 HD2 PRO A 28 17.385 -4.948 2.470 1.00 23.33 H new ATOM 0 HD3 PRO A 28 18.232 -6.395 2.978 1.00 23.33 H new ATOM 428 N GLU A 29 19.067 -2.105 2.769 1.00 4.03 N ATOM 429 CA GLU A 29 18.680 -0.744 2.497 1.00 32.42 C ATOM 430 C GLU A 29 18.512 0.013 3.813 1.00 71.25 C ATOM 431 O GLU A 29 19.181 1.015 4.058 1.00 25.41 O ATOM 432 CB GLU A 29 17.344 -0.735 1.755 1.00 52.31 C ATOM 433 CG GLU A 29 16.753 0.648 1.584 1.00 32.21 C ATOM 434 CD GLU A 29 15.361 0.624 1.035 1.00 11.25 C ATOM 435 OE1 GLU A 29 14.520 -0.160 1.555 1.00 75.45 O ATOM 436 OE2 GLU A 29 15.056 1.430 0.152 1.00 73.24 O ATOM 0 H GLU A 29 18.321 -2.654 3.197 1.00 4.03 H new ATOM 0 HA GLU A 29 19.450 -0.268 1.890 1.00 32.42 H new ATOM 0 HB2 GLU A 29 17.481 -1.186 0.772 1.00 52.31 H new ATOM 0 HB3 GLU A 29 16.634 -1.360 2.296 1.00 52.31 H new ATOM 0 HG2 GLU A 29 16.749 1.157 2.548 1.00 32.21 H new ATOM 0 HG3 GLU A 29 17.390 1.230 0.918 1.00 32.21 H new ATOM 443 N LYS A 30 17.585 -0.497 4.643 1.00 74.22 N ATOM 444 CA LYS A 30 17.222 0.074 5.930 1.00 42.40 C ATOM 445 C LYS A 30 16.423 1.323 5.762 1.00 13.32 C ATOM 446 O LYS A 30 16.941 2.434 5.857 1.00 22.14 O ATOM 447 CB LYS A 30 18.393 0.281 6.879 1.00 74.22 C ATOM 448 CG LYS A 30 19.062 -1.001 7.301 1.00 62.14 C ATOM 449 CD LYS A 30 20.240 -0.711 8.178 1.00 63.52 C ATOM 450 CE LYS A 30 20.954 -1.987 8.607 1.00 42.31 C ATOM 451 NZ LYS A 30 21.466 -2.774 7.458 1.00 64.35 N ATOM 0 H LYS A 30 17.059 -1.342 4.420 1.00 74.22 H new ATOM 0 HA LYS A 30 16.596 -0.676 6.413 1.00 42.40 H new ATOM 0 HB2 LYS A 30 19.130 0.924 6.398 1.00 74.22 H new ATOM 0 HB3 LYS A 30 18.042 0.807 7.767 1.00 74.22 H new ATOM 0 HG2 LYS A 30 18.350 -1.632 7.834 1.00 62.14 H new ATOM 0 HG3 LYS A 30 19.384 -1.557 6.421 1.00 62.14 H new ATOM 0 HD2 LYS A 30 20.939 -0.065 7.646 1.00 63.52 H new ATOM 0 HD3 LYS A 30 19.910 -0.165 9.062 1.00 63.52 H new ATOM 0 HE2 LYS A 30 21.785 -1.730 9.264 1.00 42.31 H new ATOM 0 HE3 LYS A 30 20.268 -2.604 9.187 1.00 42.31 H new ATOM 0 HZ1 LYS A 30 22.084 -3.535 7.806 1.00 64.35 H new ATOM 0 HZ2 LYS A 30 20.667 -3.188 6.937 1.00 64.35 H new ATOM 0 HZ3 LYS A 30 22.007 -2.152 6.824 1.00 64.35 H new ATOM 465 N SER A 31 15.185 1.144 5.432 1.00 33.01 N ATOM 466 CA SER A 31 14.319 2.237 5.278 1.00 43.23 C ATOM 467 C SER A 31 13.297 2.301 6.368 1.00 64.34 C ATOM 468 O SER A 31 12.484 1.402 6.538 1.00 13.14 O ATOM 469 CB SER A 31 13.670 2.271 3.882 1.00 20.15 C ATOM 470 OG SER A 31 13.242 1.001 3.460 1.00 20.13 O ATOM 0 H SER A 31 14.759 0.233 5.265 1.00 33.01 H new ATOM 0 HA SER A 31 14.932 3.134 5.363 1.00 43.23 H new ATOM 0 HB2 SER A 31 12.819 2.952 3.896 1.00 20.15 H new ATOM 0 HB3 SER A 31 14.385 2.669 3.161 1.00 20.15 H new ATOM 0 HG SER A 31 13.993 0.521 3.052 1.00 20.13 H new ATOM 476 N HIS A 32 13.369 3.348 7.139 1.00 14.33 N ATOM 477 CA HIS A 32 12.322 3.621 8.089 1.00 75.32 C ATOM 478 C HIS A 32 11.275 4.468 7.394 1.00 15.40 C ATOM 479 O HIS A 32 10.262 4.861 7.966 1.00 21.43 O ATOM 480 CB HIS A 32 12.829 4.214 9.423 1.00 53.12 C ATOM 481 CG HIS A 32 13.520 5.547 9.388 1.00 11.53 C ATOM 482 ND1 HIS A 32 13.070 6.640 10.097 1.00 75.22 N ATOM 483 CD2 HIS A 32 14.676 5.934 8.816 1.00 21.44 C ATOM 484 CE1 HIS A 32 13.923 7.631 9.961 1.00 4.54 C ATOM 485 NE2 HIS A 32 14.904 7.227 9.188 1.00 5.35 N ATOM 0 H HIS A 32 14.134 4.023 7.132 1.00 14.33 H new ATOM 0 HA HIS A 32 11.868 2.683 8.407 1.00 75.32 H new ATOM 0 HB2 HIS A 32 11.976 4.299 10.096 1.00 53.12 H new ATOM 0 HB3 HIS A 32 13.516 3.494 9.868 1.00 53.12 H new ATOM 0 HD1 HIS A 32 12.209 6.675 10.643 1.00 75.22 H new ATOM 0 HD2 HIS A 32 15.307 5.331 8.179 1.00 21.44 H new ATOM 0 HE1 HIS A 32 13.832 8.610 10.409 1.00 4.54 H new ATOM 494 N MET A 33 11.564 4.733 6.127 1.00 14.35 N ATOM 495 CA MET A 33 10.648 5.340 5.214 1.00 64.33 C ATOM 496 C MET A 33 9.613 4.384 4.814 1.00 20.04 C ATOM 497 O MET A 33 9.885 3.347 4.211 1.00 41.10 O ATOM 498 CB MET A 33 11.333 5.870 4.002 1.00 43.15 C ATOM 499 CG MET A 33 12.026 7.170 4.222 1.00 62.35 C ATOM 500 SD MET A 33 12.918 7.695 2.785 1.00 61.01 S ATOM 501 CE MET A 33 11.526 7.841 1.714 1.00 33.03 C ATOM 0 H MET A 33 12.470 4.520 5.710 1.00 14.35 H new ATOM 0 HA MET A 33 10.189 6.180 5.735 1.00 64.33 H new ATOM 0 HB2 MET A 33 12.060 5.135 3.657 1.00 43.15 H new ATOM 0 HB3 MET A 33 10.599 5.991 3.205 1.00 43.15 H new ATOM 0 HG2 MET A 33 11.294 7.931 4.492 1.00 62.35 H new ATOM 0 HG3 MET A 33 12.714 7.077 5.062 1.00 62.35 H new ATOM 0 HE1 MET A 33 11.775 8.499 0.882 1.00 33.03 H new ATOM 0 HE2 MET A 33 11.257 6.857 1.331 1.00 33.03 H new ATOM 0 HE3 MET A 33 10.684 8.258 2.267 1.00 33.03 H new ATOM 511 N VAL A 34 8.456 4.738 5.125 1.00 23.21 N ATOM 512 CA VAL A 34 7.335 3.961 4.898 1.00 72.00 C ATOM 513 C VAL A 34 6.326 4.757 4.088 1.00 51.10 C ATOM 514 O VAL A 34 6.055 5.936 4.387 1.00 63.11 O ATOM 515 CB VAL A 34 6.754 3.469 6.257 1.00 15.52 C ATOM 516 CG1 VAL A 34 6.576 4.614 7.231 1.00 10.33 C ATOM 517 CG2 VAL A 34 5.448 2.810 6.066 1.00 42.40 C ATOM 0 H VAL A 34 8.249 5.631 5.572 1.00 23.21 H new ATOM 0 HA VAL A 34 7.596 3.075 4.319 1.00 72.00 H new ATOM 0 HB VAL A 34 7.471 2.757 6.665 1.00 15.52 H new ATOM 0 HG11 VAL A 34 6.169 4.234 8.168 1.00 10.33 H new ATOM 0 HG12 VAL A 34 7.541 5.085 7.419 1.00 10.33 H new ATOM 0 HG13 VAL A 34 5.890 5.348 6.808 1.00 10.33 H new ATOM 0 HG21 VAL A 34 5.065 2.476 7.030 1.00 42.40 H new ATOM 0 HG22 VAL A 34 4.746 3.515 5.621 1.00 42.40 H new ATOM 0 HG23 VAL A 34 5.567 1.951 5.406 1.00 42.40 H new ATOM 527 N PHE A 35 5.811 4.148 3.057 1.00 41.55 N ATOM 528 CA PHE A 35 4.828 4.783 2.248 1.00 43.15 C ATOM 529 C PHE A 35 3.459 4.294 2.594 1.00 75.11 C ATOM 530 O PHE A 35 3.246 3.113 2.886 1.00 53.52 O ATOM 531 CB PHE A 35 5.132 4.720 0.727 1.00 75.23 C ATOM 532 CG PHE A 35 5.458 3.367 0.167 1.00 61.22 C ATOM 533 CD1 PHE A 35 4.502 2.382 0.087 1.00 3.03 C ATOM 534 CD2 PHE A 35 6.734 3.099 -0.298 1.00 65.21 C ATOM 535 CE1 PHE A 35 4.798 1.146 -0.431 1.00 62.33 C ATOM 536 CE2 PHE A 35 7.044 1.863 -0.823 1.00 13.24 C ATOM 537 CZ PHE A 35 6.073 0.879 -0.888 1.00 42.33 C ATOM 0 H PHE A 35 6.063 3.205 2.761 1.00 41.55 H new ATOM 0 HA PHE A 35 4.866 5.847 2.483 1.00 43.15 H new ATOM 0 HB2 PHE A 35 4.269 5.113 0.190 1.00 75.23 H new ATOM 0 HB3 PHE A 35 5.969 5.387 0.518 1.00 75.23 H new ATOM 0 HD1 PHE A 35 3.501 2.584 0.438 1.00 3.03 H new ATOM 0 HD2 PHE A 35 7.493 3.865 -0.249 1.00 65.21 H new ATOM 0 HE1 PHE A 35 4.035 0.384 -0.481 1.00 62.33 H new ATOM 0 HE2 PHE A 35 8.042 1.663 -1.183 1.00 13.24 H new ATOM 0 HZ PHE A 35 6.312 -0.093 -1.294 1.00 42.33 H new ATOM 547 N ARG A 36 2.548 5.193 2.615 1.00 14.32 N ATOM 548 CA ARG A 36 1.202 4.880 2.945 1.00 41.12 C ATOM 549 C ARG A 36 0.395 4.751 1.725 1.00 22.11 C ATOM 550 O ARG A 36 0.150 5.717 1.020 1.00 34.14 O ATOM 551 CB ARG A 36 0.635 5.921 3.843 1.00 3.40 C ATOM 552 CG ARG A 36 1.292 5.954 5.184 1.00 1.53 C ATOM 553 CD ARG A 36 0.797 7.104 5.958 1.00 45.24 C ATOM 554 NE ARG A 36 1.418 7.181 7.284 1.00 63.32 N ATOM 555 CZ ARG A 36 1.379 8.245 8.086 1.00 54.02 C ATOM 556 NH1 ARG A 36 0.769 9.367 7.698 1.00 30.02 N ATOM 557 NH2 ARG A 36 1.946 8.180 9.281 1.00 31.22 N ATOM 0 H ARG A 36 2.713 6.177 2.402 1.00 14.32 H new ATOM 0 HA ARG A 36 1.183 3.926 3.471 1.00 41.12 H new ATOM 0 HB2 ARG A 36 0.738 6.897 3.369 1.00 3.40 H new ATOM 0 HB3 ARG A 36 -0.432 5.740 3.971 1.00 3.40 H new ATOM 0 HG2 ARG A 36 1.087 5.028 5.721 1.00 1.53 H new ATOM 0 HG3 ARG A 36 2.374 6.022 5.067 1.00 1.53 H new ATOM 0 HD2 ARG A 36 0.998 8.024 5.409 1.00 45.24 H new ATOM 0 HD3 ARG A 36 -0.285 7.029 6.068 1.00 45.24 H new ATOM 0 HE ARG A 36 1.918 6.357 7.618 1.00 63.32 H new ATOM 0 HH11 ARG A 36 0.327 9.416 6.780 1.00 30.02 H new ATOM 0 HH12 ARG A 36 0.745 10.175 8.319 1.00 30.02 H new ATOM 0 HH21 ARG A 36 2.407 7.321 9.581 1.00 31.22 H new ATOM 0 HH22 ARG A 36 1.921 8.989 9.902 1.00 31.22 H new ATOM 571 N VAL A 37 -0.005 3.579 1.480 1.00 63.44 N ATOM 572 CA VAL A 37 -0.782 3.280 0.324 1.00 42.11 C ATOM 573 C VAL A 37 -2.267 3.460 0.669 1.00 24.11 C ATOM 574 O VAL A 37 -2.830 2.713 1.472 1.00 13.25 O ATOM 575 CB VAL A 37 -0.449 1.842 -0.266 1.00 23.53 C ATOM 576 CG1 VAL A 37 1.039 1.740 -0.583 1.00 1.43 C ATOM 577 CG2 VAL A 37 -0.826 0.708 0.678 1.00 35.12 C ATOM 0 H VAL A 37 0.192 2.774 2.075 1.00 63.44 H new ATOM 0 HA VAL A 37 -0.526 3.975 -0.476 1.00 42.11 H new ATOM 0 HB VAL A 37 -1.048 1.734 -1.170 1.00 23.53 H new ATOM 0 HG11 VAL A 37 1.258 0.752 -0.987 1.00 1.43 H new ATOM 0 HG12 VAL A 37 1.307 2.500 -1.317 1.00 1.43 H new ATOM 0 HG13 VAL A 37 1.617 1.896 0.328 1.00 1.43 H new ATOM 0 HG21 VAL A 37 -0.574 -0.247 0.218 1.00 35.12 H new ATOM 0 HG22 VAL A 37 -0.278 0.816 1.614 1.00 35.12 H new ATOM 0 HG23 VAL A 37 -1.897 0.743 0.879 1.00 35.12 H new ATOM 587 N GLU A 38 -2.878 4.491 0.135 1.00 70.53 N ATOM 588 CA GLU A 38 -4.256 4.753 0.454 1.00 74.42 C ATOM 589 C GLU A 38 -5.154 4.032 -0.517 1.00 74.15 C ATOM 590 O GLU A 38 -5.218 4.378 -1.709 1.00 54.55 O ATOM 591 CB GLU A 38 -4.581 6.246 0.460 1.00 1.45 C ATOM 592 CG GLU A 38 -5.976 6.546 0.977 1.00 73.21 C ATOM 593 CD GLU A 38 -6.354 7.998 0.863 1.00 74.45 C ATOM 594 OE1 GLU A 38 -6.016 8.786 1.746 1.00 24.15 O ATOM 595 OE2 GLU A 38 -7.007 8.369 -0.129 1.00 44.34 O ATOM 0 H GLU A 38 -2.448 5.152 -0.513 1.00 70.53 H new ATOM 0 HA GLU A 38 -4.431 4.382 1.464 1.00 74.42 H new ATOM 0 HB2 GLU A 38 -3.850 6.769 1.077 1.00 1.45 H new ATOM 0 HB3 GLU A 38 -4.482 6.638 -0.552 1.00 1.45 H new ATOM 0 HG2 GLU A 38 -6.698 5.945 0.424 1.00 73.21 H new ATOM 0 HG3 GLU A 38 -6.042 6.242 2.022 1.00 73.21 H new ATOM 602 N VAL A 39 -5.818 3.034 -0.016 1.00 24.21 N ATOM 603 CA VAL A 39 -6.742 2.258 -0.788 1.00 31.51 C ATOM 604 C VAL A 39 -8.154 2.639 -0.379 1.00 12.44 C ATOM 605 O VAL A 39 -8.502 2.581 0.818 1.00 14.11 O ATOM 606 CB VAL A 39 -6.541 0.735 -0.556 1.00 20.33 C ATOM 607 CG1 VAL A 39 -7.483 -0.082 -1.431 1.00 4.42 C ATOM 608 CG2 VAL A 39 -5.089 0.323 -0.784 1.00 0.20 C ATOM 0 H VAL A 39 -5.732 2.731 0.954 1.00 24.21 H new ATOM 0 HA VAL A 39 -6.571 2.465 -1.844 1.00 31.51 H new ATOM 0 HB VAL A 39 -6.784 0.527 0.486 1.00 20.33 H new ATOM 0 HG11 VAL A 39 -7.320 -1.144 -1.248 1.00 4.42 H new ATOM 0 HG12 VAL A 39 -8.515 0.174 -1.192 1.00 4.42 H new ATOM 0 HG13 VAL A 39 -7.288 0.139 -2.480 1.00 4.42 H new ATOM 0 HG21 VAL A 39 -4.984 -0.748 -0.613 1.00 0.20 H new ATOM 0 HG22 VAL A 39 -4.801 0.557 -1.809 1.00 0.20 H new ATOM 0 HG23 VAL A 39 -4.444 0.866 -0.093 1.00 0.20 H new ATOM 618 N LEU A 40 -8.939 3.051 -1.329 1.00 43.12 N ATOM 619 CA LEU A 40 -10.305 3.405 -1.086 1.00 0.35 C ATOM 620 C LEU A 40 -11.178 2.335 -1.682 1.00 75.00 C ATOM 621 O LEU A 40 -11.089 2.046 -2.878 1.00 71.44 O ATOM 622 CB LEU A 40 -10.619 4.806 -1.691 1.00 23.25 C ATOM 623 CG LEU A 40 -12.010 5.463 -1.388 1.00 43.12 C ATOM 624 CD1 LEU A 40 -11.991 6.917 -1.812 1.00 31.43 C ATOM 625 CD2 LEU A 40 -13.153 4.761 -2.122 1.00 14.44 C ATOM 0 H LEU A 40 -8.647 3.152 -2.301 1.00 43.12 H new ATOM 0 HA LEU A 40 -10.498 3.472 -0.015 1.00 0.35 H new ATOM 0 HB2 LEU A 40 -9.847 5.495 -1.348 1.00 23.25 H new ATOM 0 HB3 LEU A 40 -10.519 4.728 -2.774 1.00 23.25 H new ATOM 0 HG LEU A 40 -12.181 5.371 -0.315 1.00 43.12 H new ATOM 0 HD11 LEU A 40 -12.959 7.370 -1.600 1.00 31.43 H new ATOM 0 HD12 LEU A 40 -11.214 7.447 -1.261 1.00 31.43 H new ATOM 0 HD13 LEU A 40 -11.786 6.982 -2.881 1.00 31.43 H new ATOM 0 HD21 LEU A 40 -14.096 5.252 -1.881 1.00 14.44 H new ATOM 0 HD22 LEU A 40 -12.981 4.813 -3.197 1.00 14.44 H new ATOM 0 HD23 LEU A 40 -13.198 3.717 -1.812 1.00 14.44 H new ATOM 637 N CYS A 41 -11.992 1.744 -0.865 1.00 74.40 N ATOM 638 CA CYS A 41 -12.903 0.754 -1.317 1.00 3.21 C ATOM 639 C CYS A 41 -14.285 1.030 -0.767 1.00 53.35 C ATOM 640 O CYS A 41 -14.583 0.732 0.396 1.00 55.24 O ATOM 641 CB CYS A 41 -12.400 -0.663 -0.973 1.00 1.51 C ATOM 642 SG CYS A 41 -11.979 -0.930 0.775 1.00 72.43 S ATOM 0 H CYS A 41 -12.040 1.938 0.135 1.00 74.40 H new ATOM 0 HA CYS A 41 -12.968 0.800 -2.404 1.00 3.21 H new ATOM 0 HB2 CYS A 41 -13.166 -1.383 -1.260 1.00 1.51 H new ATOM 0 HB3 CYS A 41 -11.519 -0.876 -1.579 1.00 1.51 H new ATOM 0 HG CYS A 41 -12.871 -0.358 1.528 1.00 72.43 H new ATOM 648 N SER A 42 -15.117 1.603 -1.617 1.00 0.41 N ATOM 649 CA SER A 42 -16.460 2.000 -1.279 1.00 22.32 C ATOM 650 C SER A 42 -16.529 2.951 -0.075 1.00 65.00 C ATOM 651 O SER A 42 -16.649 2.524 1.085 1.00 52.11 O ATOM 652 CB SER A 42 -17.392 0.803 -1.176 1.00 24.23 C ATOM 653 OG SER A 42 -17.429 0.134 -2.438 1.00 21.13 O ATOM 0 H SER A 42 -14.866 1.808 -2.584 1.00 0.41 H new ATOM 0 HA SER A 42 -16.830 2.598 -2.111 1.00 22.32 H new ATOM 0 HB2 SER A 42 -17.046 0.122 -0.399 1.00 24.23 H new ATOM 0 HB3 SER A 42 -18.393 1.128 -0.892 1.00 24.23 H new ATOM 0 HG SER A 42 -17.556 0.792 -3.153 1.00 21.13 H new ATOM 659 N GLY A 43 -16.392 4.243 -0.379 1.00 60.40 N ATOM 660 CA GLY A 43 -16.426 5.313 0.614 1.00 32.23 C ATOM 661 C GLY A 43 -15.179 5.384 1.497 1.00 51.22 C ATOM 662 O GLY A 43 -14.549 6.438 1.626 1.00 72.35 O ATOM 0 H GLY A 43 -16.253 4.577 -1.333 1.00 60.40 H new ATOM 0 HA2 GLY A 43 -16.550 6.267 0.101 1.00 32.23 H new ATOM 0 HA3 GLY A 43 -17.301 5.177 1.249 1.00 32.23 H new ATOM 666 N ARG A 44 -14.842 4.270 2.077 1.00 2.21 N ATOM 667 CA ARG A 44 -13.759 4.134 3.032 1.00 14.54 C ATOM 668 C ARG A 44 -12.396 4.182 2.358 1.00 0.33 C ATOM 669 O ARG A 44 -12.134 3.446 1.403 1.00 51.10 O ATOM 670 CB ARG A 44 -13.904 2.791 3.710 1.00 73.54 C ATOM 671 CG ARG A 44 -15.227 2.581 4.417 1.00 43.34 C ATOM 672 CD ARG A 44 -15.417 1.114 4.697 1.00 13.22 C ATOM 673 NE ARG A 44 -15.406 0.371 3.425 1.00 23.22 N ATOM 674 CZ ARG A 44 -15.324 -0.949 3.283 1.00 23.13 C ATOM 675 NH1 ARG A 44 -15.276 -1.745 4.335 1.00 21.23 N ATOM 676 NH2 ARG A 44 -15.280 -1.465 2.067 1.00 23.13 N ATOM 0 H ARG A 44 -15.327 3.391 1.897 1.00 2.21 H new ATOM 0 HA ARG A 44 -13.817 4.961 3.740 1.00 14.54 H new ATOM 0 HB2 ARG A 44 -13.777 2.007 2.964 1.00 73.54 H new ATOM 0 HB3 ARG A 44 -13.098 2.675 4.434 1.00 73.54 H new ATOM 0 HG2 ARG A 44 -15.248 3.146 5.349 1.00 43.34 H new ATOM 0 HG3 ARG A 44 -16.045 2.954 3.800 1.00 43.34 H new ATOM 0 HD2 ARG A 44 -14.624 0.751 5.351 1.00 13.22 H new ATOM 0 HD3 ARG A 44 -16.360 0.951 5.219 1.00 13.22 H new ATOM 0 HE ARG A 44 -15.467 0.923 2.569 1.00 23.22 H new ATOM 0 HH11 ARG A 44 -15.302 -1.350 5.275 1.00 21.23 H new ATOM 0 HH12 ARG A 44 -15.213 -2.755 4.208 1.00 21.23 H new ATOM 0 HH21 ARG A 44 -15.309 -0.853 1.252 1.00 23.13 H new ATOM 0 HH22 ARG A 44 -15.217 -2.476 1.944 1.00 23.13 H new ATOM 690 N ARG A 45 -11.538 5.016 2.878 1.00 70.54 N ATOM 691 CA ARG A 45 -10.172 5.130 2.418 1.00 2.04 C ATOM 692 C ARG A 45 -9.217 4.863 3.558 1.00 63.20 C ATOM 693 O ARG A 45 -9.379 5.383 4.652 1.00 14.24 O ATOM 694 CB ARG A 45 -9.847 6.475 1.699 1.00 32.11 C ATOM 695 CG ARG A 45 -10.223 7.761 2.442 1.00 61.43 C ATOM 696 CD ARG A 45 -11.723 8.005 2.402 1.00 75.55 C ATOM 697 NE ARG A 45 -12.131 9.201 3.140 1.00 14.21 N ATOM 698 CZ ARG A 45 -13.055 10.071 2.710 1.00 53.41 C ATOM 699 NH1 ARG A 45 -13.616 9.912 1.509 1.00 50.40 N ATOM 700 NH2 ARG A 45 -13.426 11.094 3.468 1.00 24.32 N ATOM 0 H ARG A 45 -11.767 5.648 3.646 1.00 70.54 H new ATOM 0 HA ARG A 45 -10.041 4.368 1.650 1.00 2.04 H new ATOM 0 HB2 ARG A 45 -8.777 6.501 1.494 1.00 32.11 H new ATOM 0 HB3 ARG A 45 -10.356 6.477 0.735 1.00 32.11 H new ATOM 0 HG2 ARG A 45 -9.891 7.695 3.478 1.00 61.43 H new ATOM 0 HG3 ARG A 45 -9.703 8.608 1.994 1.00 61.43 H new ATOM 0 HD2 ARG A 45 -12.042 8.100 1.364 1.00 75.55 H new ATOM 0 HD3 ARG A 45 -12.237 7.137 2.816 1.00 75.55 H new ATOM 0 HE ARG A 45 -11.684 9.384 4.038 1.00 14.21 H new ATOM 0 HH11 ARG A 45 -13.341 9.128 0.918 1.00 50.40 H new ATOM 0 HH12 ARG A 45 -14.319 10.575 1.183 1.00 50.40 H new ATOM 0 HH21 ARG A 45 -13.007 11.225 4.389 1.00 24.32 H new ATOM 0 HH22 ARG A 45 -14.130 11.750 3.130 1.00 24.32 H new ATOM 714 N HIS A 46 -8.243 4.032 3.307 1.00 2.12 N ATOM 715 CA HIS A 46 -7.297 3.636 4.337 1.00 23.43 C ATOM 716 C HIS A 46 -5.876 3.637 3.852 1.00 65.53 C ATOM 717 O HIS A 46 -5.555 3.008 2.841 1.00 72.31 O ATOM 718 CB HIS A 46 -7.669 2.262 4.959 1.00 73.31 C ATOM 719 CG HIS A 46 -7.986 1.171 3.975 1.00 53.31 C ATOM 720 ND1 HIS A 46 -7.192 0.284 3.347 1.00 21.14 N flip ATOM 721 CD2 HIS A 46 -9.271 0.885 3.559 1.00 23.20 C flip ATOM 722 CE1 HIS A 46 -7.997 -0.513 2.575 1.00 12.04 C flip ATOM 723 NE2 HIS A 46 -9.244 -0.129 2.723 1.00 15.12 N flip ATOM 0 H HIS A 46 -8.075 3.608 2.394 1.00 2.12 H new ATOM 0 HA HIS A 46 -7.366 4.393 5.118 1.00 23.43 H new ATOM 0 HB2 HIS A 46 -6.842 1.931 5.588 1.00 73.31 H new ATOM 0 HB3 HIS A 46 -8.531 2.400 5.612 1.00 73.31 H new ATOM 0 HD2 HIS A 46 -10.160 1.412 3.872 1.00 23.20 H new ATOM 0 HE1 HIS A 46 -7.660 -1.325 1.947 1.00 12.04 H new ATOM 0 HE2 HIS A 46 -10.055 -0.547 2.266 1.00 15.12 H new ATOM 732 N THR A 47 -5.041 4.352 4.564 1.00 22.54 N ATOM 733 CA THR A 47 -3.639 4.394 4.309 1.00 41.15 C ATOM 734 C THR A 47 -2.936 3.246 4.980 1.00 24.02 C ATOM 735 O THR A 47 -2.848 3.179 6.218 1.00 45.24 O ATOM 736 CB THR A 47 -3.042 5.712 4.786 1.00 32.34 C ATOM 737 OG1 THR A 47 -3.716 6.137 5.986 1.00 14.04 O ATOM 738 CG2 THR A 47 -3.111 6.774 3.715 1.00 31.41 C ATOM 0 H THR A 47 -5.332 4.930 5.352 1.00 22.54 H new ATOM 0 HA THR A 47 -3.496 4.311 3.232 1.00 41.15 H new ATOM 0 HB THR A 47 -1.986 5.557 5.007 1.00 32.34 H new ATOM 0 HG1 THR A 47 -3.280 6.941 6.339 1.00 14.04 H new ATOM 0 HG21 THR A 47 -2.676 7.700 4.092 1.00 31.41 H new ATOM 0 HG22 THR A 47 -2.555 6.443 2.838 1.00 31.41 H new ATOM 0 HG23 THR A 47 -4.152 6.947 3.441 1.00 31.41 H new ATOM 746 N VAL A 48 -2.476 2.338 4.188 1.00 1.33 N ATOM 747 CA VAL A 48 -1.760 1.214 4.683 1.00 75.25 C ATOM 748 C VAL A 48 -0.258 1.508 4.545 1.00 0.22 C ATOM 749 O VAL A 48 0.267 1.547 3.441 1.00 73.22 O ATOM 750 CB VAL A 48 -2.119 -0.061 3.892 1.00 41.51 C ATOM 751 CG1 VAL A 48 -1.504 -1.255 4.541 1.00 42.33 C ATOM 752 CG2 VAL A 48 -3.627 -0.234 3.785 1.00 25.25 C ATOM 0 H VAL A 48 -2.587 2.355 3.174 1.00 1.33 H new ATOM 0 HA VAL A 48 -2.025 1.043 5.727 1.00 75.25 H new ATOM 0 HB VAL A 48 -1.721 0.040 2.882 1.00 41.51 H new ATOM 0 HG11 VAL A 48 -1.763 -2.150 3.976 1.00 42.33 H new ATOM 0 HG12 VAL A 48 -0.420 -1.140 4.562 1.00 42.33 H new ATOM 0 HG13 VAL A 48 -1.879 -1.349 5.560 1.00 42.33 H new ATOM 0 HG21 VAL A 48 -3.850 -1.141 3.223 1.00 25.25 H new ATOM 0 HG22 VAL A 48 -4.056 -0.312 4.784 1.00 25.25 H new ATOM 0 HG23 VAL A 48 -4.056 0.626 3.272 1.00 25.25 H new ATOM 762 N PRO A 49 0.435 1.779 5.645 1.00 35.14 N ATOM 763 CA PRO A 49 1.841 2.129 5.611 1.00 75.02 C ATOM 764 C PRO A 49 2.759 0.918 5.587 1.00 74.14 C ATOM 765 O PRO A 49 2.798 0.156 6.551 1.00 24.31 O ATOM 766 CB PRO A 49 2.052 2.903 6.929 1.00 60.04 C ATOM 767 CG PRO A 49 0.736 2.868 7.645 1.00 74.11 C ATOM 768 CD PRO A 49 -0.071 1.782 7.011 1.00 14.10 C ATOM 0 HA PRO A 49 2.081 2.691 4.708 1.00 75.02 H new ATOM 0 HB2 PRO A 49 2.836 2.442 7.531 1.00 60.04 H new ATOM 0 HB3 PRO A 49 2.362 3.929 6.733 1.00 60.04 H new ATOM 0 HG2 PRO A 49 0.879 2.673 8.708 1.00 74.11 H new ATOM 0 HG3 PRO A 49 0.225 3.827 7.563 1.00 74.11 H new ATOM 0 HD2 PRO A 49 0.081 0.822 7.503 1.00 14.10 H new ATOM 0 HD3 PRO A 49 -1.140 1.994 7.049 1.00 14.10 H new ATOM 776 N ARG A 50 3.492 0.739 4.488 1.00 25.24 N ATOM 777 CA ARG A 50 4.500 -0.318 4.395 1.00 70.32 C ATOM 778 C ARG A 50 5.779 0.269 3.774 1.00 34.44 C ATOM 779 O ARG A 50 5.695 1.246 3.023 1.00 64.42 O ATOM 780 CB ARG A 50 4.055 -1.514 3.509 1.00 3.33 C ATOM 781 CG ARG A 50 2.726 -2.199 3.848 1.00 71.50 C ATOM 782 CD ARG A 50 2.564 -2.521 5.331 1.00 10.13 C ATOM 783 NE ARG A 50 3.645 -3.314 5.945 1.00 50.01 N ATOM 784 CZ ARG A 50 4.052 -3.128 7.233 1.00 32.31 C ATOM 785 NH1 ARG A 50 3.620 -2.072 7.916 1.00 54.23 N ATOM 786 NH2 ARG A 50 4.903 -3.966 7.819 1.00 4.34 N ATOM 0 H ARG A 50 3.407 1.313 3.649 1.00 25.24 H new ATOM 0 HA ARG A 50 4.660 -0.689 5.407 1.00 70.32 H new ATOM 0 HB2 ARG A 50 3.998 -1.164 2.478 1.00 3.33 H new ATOM 0 HB3 ARG A 50 4.840 -2.269 3.547 1.00 3.33 H new ATOM 0 HG2 ARG A 50 1.905 -1.555 3.533 1.00 71.50 H new ATOM 0 HG3 ARG A 50 2.646 -3.122 3.274 1.00 71.50 H new ATOM 0 HD2 ARG A 50 2.474 -1.582 5.878 1.00 10.13 H new ATOM 0 HD3 ARG A 50 1.626 -3.059 5.465 1.00 10.13 H new ATOM 0 HE ARG A 50 4.107 -4.030 5.384 1.00 50.01 H new ATOM 0 HH11 ARG A 50 2.986 -1.405 7.476 1.00 54.23 H new ATOM 0 HH12 ARG A 50 3.922 -1.929 8.880 1.00 54.23 H new ATOM 0 HH21 ARG A 50 5.265 -4.768 7.304 1.00 4.34 H new ATOM 0 HH22 ARG A 50 5.193 -3.806 8.784 1.00 4.34 H new ATOM 800 N ARG A 51 6.960 -0.278 4.087 1.00 53.42 N ATOM 801 CA ARG A 51 8.153 0.169 3.371 1.00 73.41 C ATOM 802 C ARG A 51 8.297 -0.632 2.099 1.00 52.35 C ATOM 803 O ARG A 51 7.487 -1.535 1.820 1.00 11.02 O ATOM 804 CB ARG A 51 9.500 0.189 4.194 1.00 60.21 C ATOM 805 CG ARG A 51 9.845 -1.096 4.896 1.00 3.20 C ATOM 806 CD ARG A 51 11.276 -1.183 5.418 1.00 64.53 C ATOM 807 NE ARG A 51 12.266 -1.254 4.347 1.00 64.40 N ATOM 808 CZ ARG A 51 13.058 -2.302 4.106 1.00 21.25 C ATOM 809 NH1 ARG A 51 12.972 -3.387 4.862 1.00 61.54 N ATOM 810 NH2 ARG A 51 13.946 -2.266 3.108 1.00 23.24 N ATOM 0 H ARG A 51 7.110 -0.996 4.796 1.00 53.42 H new ATOM 0 HA ARG A 51 7.984 1.224 3.155 1.00 73.41 H new ATOM 0 HB2 ARG A 51 10.316 0.444 3.518 1.00 60.21 H new ATOM 0 HB3 ARG A 51 9.441 0.985 4.937 1.00 60.21 H new ATOM 0 HG2 ARG A 51 9.160 -1.230 5.733 1.00 3.20 H new ATOM 0 HG3 ARG A 51 9.674 -1.925 4.209 1.00 3.20 H new ATOM 0 HD2 ARG A 51 11.484 -0.313 6.042 1.00 64.53 H new ATOM 0 HD3 ARG A 51 11.373 -2.062 6.055 1.00 64.53 H new ATOM 0 HE ARG A 51 12.360 -0.442 3.737 1.00 64.40 H new ATOM 0 HH11 ARG A 51 12.300 -3.422 5.629 1.00 61.54 H new ATOM 0 HH12 ARG A 51 13.577 -4.187 4.677 1.00 61.54 H new ATOM 0 HH21 ARG A 51 14.023 -1.434 2.523 1.00 23.24 H new ATOM 0 HH22 ARG A 51 14.547 -3.071 2.931 1.00 23.24 H new ATOM 824 N TYR A 52 9.320 -0.319 1.348 1.00 3.10 N ATOM 825 CA TYR A 52 9.553 -0.896 0.035 1.00 40.22 C ATOM 826 C TYR A 52 9.630 -2.444 0.103 1.00 52.40 C ATOM 827 O TYR A 52 9.133 -3.143 -0.787 1.00 1.55 O ATOM 828 CB TYR A 52 10.862 -0.309 -0.523 1.00 4.34 C ATOM 829 CG TYR A 52 11.052 -0.454 -2.020 1.00 53.25 C ATOM 830 CD1 TYR A 52 11.372 -1.674 -2.599 1.00 4.42 C ATOM 831 CD2 TYR A 52 10.906 0.655 -2.859 1.00 75.11 C ATOM 832 CE1 TYR A 52 11.533 -1.799 -3.964 1.00 44.14 C ATOM 833 CE2 TYR A 52 11.070 0.536 -4.231 1.00 21.51 C ATOM 834 CZ TYR A 52 11.381 -0.696 -4.778 1.00 13.11 C ATOM 835 OH TYR A 52 11.535 -0.825 -6.146 1.00 54.24 O ATOM 0 H TYR A 52 10.032 0.355 1.630 1.00 3.10 H new ATOM 0 HA TYR A 52 8.720 -0.649 -0.624 1.00 40.22 H new ATOM 0 HB2 TYR A 52 10.903 0.750 -0.269 1.00 4.34 H new ATOM 0 HB3 TYR A 52 11.700 -0.790 -0.019 1.00 4.34 H new ATOM 0 HD1 TYR A 52 11.497 -2.542 -1.969 1.00 4.42 H new ATOM 0 HD2 TYR A 52 10.662 1.617 -2.433 1.00 75.11 H new ATOM 0 HE1 TYR A 52 11.778 -2.759 -4.394 1.00 44.14 H new ATOM 0 HE2 TYR A 52 10.956 1.400 -4.869 1.00 21.51 H new ATOM 0 HH TYR A 52 12.322 -1.377 -6.336 1.00 54.24 H new ATOM 845 N SER A 53 10.213 -2.960 1.176 1.00 61.21 N ATOM 846 CA SER A 53 10.424 -4.388 1.315 1.00 75.11 C ATOM 847 C SER A 53 9.116 -5.145 1.543 1.00 55.43 C ATOM 848 O SER A 53 8.913 -6.194 0.944 1.00 54.55 O ATOM 849 CB SER A 53 11.419 -4.679 2.437 1.00 65.41 C ATOM 850 OG SER A 53 11.770 -6.059 2.514 1.00 31.14 O ATOM 0 H SER A 53 10.548 -2.406 1.964 1.00 61.21 H new ATOM 0 HA SER A 53 10.842 -4.745 0.374 1.00 75.11 H new ATOM 0 HB2 SER A 53 12.321 -4.087 2.281 1.00 65.41 H new ATOM 0 HB3 SER A 53 10.991 -4.363 3.388 1.00 65.41 H new ATOM 0 HG SER A 53 12.409 -6.194 3.245 1.00 31.14 H new ATOM 856 N GLU A 54 8.224 -4.617 2.387 1.00 31.20 N ATOM 857 CA GLU A 54 6.975 -5.321 2.660 1.00 11.21 C ATOM 858 C GLU A 54 6.142 -5.483 1.428 1.00 63.11 C ATOM 859 O GLU A 54 5.607 -6.564 1.195 1.00 51.22 O ATOM 860 CB GLU A 54 6.126 -4.714 3.766 1.00 40.15 C ATOM 861 CG GLU A 54 6.709 -4.756 5.161 1.00 2.03 C ATOM 862 CD GLU A 54 7.810 -3.796 5.372 1.00 23.40 C ATOM 863 OE1 GLU A 54 7.502 -2.613 5.597 1.00 23.01 O ATOM 864 OE2 GLU A 54 8.995 -4.199 5.317 1.00 44.13 O ATOM 0 H GLU A 54 8.340 -3.731 2.878 1.00 31.20 H new ATOM 0 HA GLU A 54 7.302 -6.297 3.018 1.00 11.21 H new ATOM 0 HB2 GLU A 54 5.925 -3.673 3.511 1.00 40.15 H new ATOM 0 HB3 GLU A 54 5.166 -5.229 3.781 1.00 40.15 H new ATOM 0 HG2 GLU A 54 5.918 -4.552 5.882 1.00 2.03 H new ATOM 0 HG3 GLU A 54 7.073 -5.763 5.363 1.00 2.03 H new ATOM 871 N PHE A 55 6.021 -4.419 0.619 1.00 60.02 N ATOM 872 CA PHE A 55 5.265 -4.534 -0.604 1.00 63.42 C ATOM 873 C PHE A 55 5.895 -5.554 -1.531 1.00 3.42 C ATOM 874 O PHE A 55 5.197 -6.308 -2.207 1.00 22.33 O ATOM 875 CB PHE A 55 5.041 -3.197 -1.318 1.00 15.54 C ATOM 876 CG PHE A 55 4.279 -3.382 -2.605 1.00 63.55 C ATOM 877 CD1 PHE A 55 2.968 -3.841 -2.590 1.00 50.13 C ATOM 878 CD2 PHE A 55 4.881 -3.148 -3.823 1.00 61.31 C ATOM 879 CE1 PHE A 55 2.278 -4.050 -3.764 1.00 35.23 C ATOM 880 CE2 PHE A 55 4.195 -3.359 -5.000 1.00 0.13 C ATOM 881 CZ PHE A 55 2.890 -3.809 -4.969 1.00 63.13 C ATOM 0 H PHE A 55 6.430 -3.501 0.795 1.00 60.02 H new ATOM 0 HA PHE A 55 4.273 -4.883 -0.317 1.00 63.42 H new ATOM 0 HB2 PHE A 55 4.493 -2.520 -0.663 1.00 15.54 H new ATOM 0 HB3 PHE A 55 6.003 -2.729 -1.527 1.00 15.54 H new ATOM 0 HD1 PHE A 55 2.483 -4.037 -1.645 1.00 50.13 H new ATOM 0 HD2 PHE A 55 5.901 -2.795 -3.855 1.00 61.31 H new ATOM 0 HE1 PHE A 55 1.258 -4.403 -3.736 1.00 35.23 H new ATOM 0 HE2 PHE A 55 4.679 -3.172 -5.947 1.00 0.13 H new ATOM 0 HZ PHE A 55 2.352 -3.971 -5.891 1.00 63.13 H new ATOM 891 N HIS A 56 7.210 -5.593 -1.542 1.00 54.52 N ATOM 892 CA HIS A 56 7.930 -6.563 -2.336 1.00 5.20 C ATOM 893 C HIS A 56 7.598 -7.984 -1.851 1.00 24.45 C ATOM 894 O HIS A 56 7.412 -8.895 -2.659 1.00 42.22 O ATOM 895 CB HIS A 56 9.445 -6.303 -2.250 1.00 15.02 C ATOM 896 CG HIS A 56 10.275 -7.261 -3.045 1.00 72.21 C ATOM 897 ND1 HIS A 56 10.958 -8.310 -2.487 1.00 74.44 N ATOM 898 CD2 HIS A 56 10.532 -7.312 -4.365 1.00 71.01 C ATOM 899 CE1 HIS A 56 11.591 -8.965 -3.420 1.00 43.31 C ATOM 900 NE2 HIS A 56 11.349 -8.380 -4.575 1.00 11.50 N ATOM 0 H HIS A 56 7.804 -4.960 -1.007 1.00 54.52 H new ATOM 0 HA HIS A 56 7.624 -6.468 -3.378 1.00 5.20 H new ATOM 0 HB2 HIS A 56 9.649 -5.289 -2.595 1.00 15.02 H new ATOM 0 HB3 HIS A 56 9.753 -6.352 -1.205 1.00 15.02 H new ATOM 0 HD2 HIS A 56 10.160 -6.632 -5.117 1.00 71.01 H new ATOM 0 HE1 HIS A 56 12.209 -9.838 -3.271 1.00 43.31 H new ATOM 0 HE2 HIS A 56 11.714 -8.679 -5.479 1.00 11.50 H new ATOM 909 N ALA A 57 7.498 -8.134 -0.543 1.00 2.35 N ATOM 910 CA ALA A 57 7.235 -9.412 0.091 1.00 11.10 C ATOM 911 C ALA A 57 5.834 -9.954 -0.211 1.00 33.54 C ATOM 912 O ALA A 57 5.708 -11.110 -0.650 1.00 2.23 O ATOM 913 CB ALA A 57 7.482 -9.336 1.587 1.00 54.31 C ATOM 0 H ALA A 57 7.598 -7.362 0.116 1.00 2.35 H new ATOM 0 HA ALA A 57 7.938 -10.124 -0.342 1.00 11.10 H new ATOM 0 HB1 ALA A 57 7.278 -10.307 2.039 1.00 54.31 H new ATOM 0 HB2 ALA A 57 8.521 -9.061 1.771 1.00 54.31 H new ATOM 0 HB3 ALA A 57 6.825 -8.586 2.027 1.00 54.31 H new ATOM 919 N LEU A 58 4.766 -9.165 0.007 1.00 63.13 N ATOM 920 CA LEU A 58 3.437 -9.727 -0.289 1.00 14.42 C ATOM 921 C LEU A 58 3.296 -9.950 -1.764 1.00 22.51 C ATOM 922 O LEU A 58 2.778 -10.964 -2.189 1.00 54.10 O ATOM 923 CB LEU A 58 2.204 -8.928 0.224 1.00 51.54 C ATOM 924 CG LEU A 58 1.921 -7.553 -0.395 1.00 72.11 C ATOM 925 CD1 LEU A 58 0.444 -7.252 -0.304 1.00 24.54 C ATOM 926 CD2 LEU A 58 2.663 -6.492 0.355 1.00 50.13 C ATOM 0 H LEU A 58 4.786 -8.208 0.360 1.00 63.13 H new ATOM 0 HA LEU A 58 3.417 -10.658 0.277 1.00 14.42 H new ATOM 0 HB2 LEU A 58 1.320 -9.548 0.075 1.00 51.54 H new ATOM 0 HB3 LEU A 58 2.320 -8.791 1.299 1.00 51.54 H new ATOM 0 HG LEU A 58 2.242 -7.566 -1.436 1.00 72.11 H new ATOM 0 HD11 LEU A 58 0.244 -6.275 -0.744 1.00 24.54 H new ATOM 0 HD12 LEU A 58 -0.117 -8.015 -0.844 1.00 24.54 H new ATOM 0 HD13 LEU A 58 0.137 -7.249 0.742 1.00 24.54 H new ATOM 0 HD21 LEU A 58 2.456 -5.519 -0.091 1.00 50.13 H new ATOM 0 HD22 LEU A 58 2.341 -6.490 1.396 1.00 50.13 H new ATOM 0 HD23 LEU A 58 3.733 -6.693 0.307 1.00 50.13 H new ATOM 938 N HIS A 59 3.828 -9.010 -2.548 1.00 43.12 N ATOM 939 CA HIS A 59 3.728 -9.064 -3.992 1.00 64.44 C ATOM 940 C HIS A 59 4.376 -10.341 -4.517 1.00 52.10 C ATOM 941 O HIS A 59 3.863 -10.960 -5.435 1.00 54.51 O ATOM 942 CB HIS A 59 4.403 -7.846 -4.625 1.00 5.14 C ATOM 943 CG HIS A 59 4.154 -7.685 -6.096 1.00 33.44 C ATOM 944 ND1 HIS A 59 3.450 -6.624 -6.610 1.00 21.21 N ATOM 945 CD2 HIS A 59 4.537 -8.427 -7.164 1.00 33.51 C ATOM 946 CE1 HIS A 59 3.412 -6.720 -7.913 1.00 30.35 C ATOM 947 NE2 HIS A 59 4.062 -7.805 -8.270 1.00 14.02 N ATOM 0 H HIS A 59 4.335 -8.199 -2.194 1.00 43.12 H new ATOM 0 HA HIS A 59 2.672 -9.060 -4.262 1.00 64.44 H new ATOM 0 HB2 HIS A 59 4.058 -6.949 -4.112 1.00 5.14 H new ATOM 0 HB3 HIS A 59 5.478 -7.915 -4.458 1.00 5.14 H new ATOM 0 HD1 HIS A 59 3.023 -5.878 -6.061 1.00 21.21 H new ATOM 0 HD2 HIS A 59 5.112 -9.341 -7.138 1.00 33.51 H new ATOM 0 HE1 HIS A 59 2.928 -6.025 -8.583 1.00 30.35 H new ATOM 0 HE2 HIS A 59 4.189 -8.128 -9.229 1.00 14.02 H new ATOM 956 N LYS A 60 5.509 -10.733 -3.945 1.00 21.00 N ATOM 957 CA LYS A 60 6.162 -11.938 -4.403 1.00 34.11 C ATOM 958 C LYS A 60 5.388 -13.188 -3.963 1.00 23.03 C ATOM 959 O LYS A 60 5.489 -14.244 -4.586 1.00 71.12 O ATOM 960 CB LYS A 60 7.604 -12.064 -3.949 1.00 42.02 C ATOM 961 CG LYS A 60 7.762 -12.290 -2.474 1.00 20.05 C ATOM 962 CD LYS A 60 9.068 -12.959 -2.152 1.00 11.34 C ATOM 963 CE LYS A 60 9.170 -14.306 -2.877 1.00 2.12 C ATOM 964 NZ LYS A 60 10.316 -15.087 -2.380 1.00 51.31 N ATOM 0 H LYS A 60 5.979 -10.244 -3.183 1.00 21.00 H new ATOM 0 HA LYS A 60 6.169 -11.861 -5.490 1.00 34.11 H new ATOM 0 HB2 LYS A 60 8.072 -12.890 -4.485 1.00 42.02 H new ATOM 0 HB3 LYS A 60 8.142 -11.158 -4.227 1.00 42.02 H new ATOM 0 HG2 LYS A 60 7.703 -11.335 -1.951 1.00 20.05 H new ATOM 0 HG3 LYS A 60 6.939 -12.904 -2.110 1.00 20.05 H new ATOM 0 HD2 LYS A 60 9.896 -12.316 -2.448 1.00 11.34 H new ATOM 0 HD3 LYS A 60 9.151 -13.111 -1.076 1.00 11.34 H new ATOM 0 HE2 LYS A 60 8.250 -14.872 -2.732 1.00 2.12 H new ATOM 0 HE3 LYS A 60 9.276 -14.139 -3.949 1.00 2.12 H new ATOM 0 HZ1 LYS A 60 10.364 -15.994 -2.886 1.00 51.31 H new ATOM 0 HZ2 LYS A 60 11.195 -14.555 -2.541 1.00 51.31 H new ATOM 0 HZ3 LYS A 60 10.200 -15.264 -1.362 1.00 51.31 H new ATOM 978 N ARG A 61 4.637 -13.083 -2.887 1.00 65.40 N ATOM 979 CA ARG A 61 3.855 -14.210 -2.440 1.00 62.04 C ATOM 980 C ARG A 61 2.646 -14.349 -3.344 1.00 5.21 C ATOM 981 O ARG A 61 2.283 -15.449 -3.784 1.00 23.33 O ATOM 982 CB ARG A 61 3.422 -14.029 -0.987 1.00 14.31 C ATOM 983 CG ARG A 61 2.640 -15.201 -0.435 1.00 20.44 C ATOM 984 CD ARG A 61 2.201 -14.953 0.986 1.00 3.15 C ATOM 985 NE ARG A 61 1.442 -16.085 1.531 1.00 72.41 N ATOM 986 CZ ARG A 61 0.581 -15.996 2.547 1.00 23.11 C ATOM 987 NH1 ARG A 61 0.331 -14.821 3.102 1.00 1.15 N ATOM 988 NH2 ARG A 61 -0.046 -17.080 2.985 1.00 24.32 N ATOM 0 H ARG A 61 4.553 -12.242 -2.315 1.00 65.40 H new ATOM 0 HA ARG A 61 4.459 -15.116 -2.491 1.00 62.04 H new ATOM 0 HB2 ARG A 61 4.307 -13.871 -0.370 1.00 14.31 H new ATOM 0 HB3 ARG A 61 2.814 -13.128 -0.908 1.00 14.31 H new ATOM 0 HG2 ARG A 61 1.766 -15.383 -1.060 1.00 20.44 H new ATOM 0 HG3 ARG A 61 3.254 -16.101 -0.475 1.00 20.44 H new ATOM 0 HD2 ARG A 61 3.076 -14.769 1.609 1.00 3.15 H new ATOM 0 HD3 ARG A 61 1.588 -14.053 1.024 1.00 3.15 H new ATOM 0 HE ARG A 61 1.582 -17.001 1.105 1.00 72.41 H new ATOM 0 HH11 ARG A 61 0.796 -13.983 2.753 1.00 1.15 H new ATOM 0 HH12 ARG A 61 -0.327 -14.753 3.878 1.00 1.15 H new ATOM 0 HH21 ARG A 61 0.130 -17.983 2.545 1.00 24.32 H new ATOM 0 HH22 ARG A 61 -0.704 -17.010 3.762 1.00 24.32 H new ATOM 1002 N ILE A 62 2.052 -13.226 -3.652 1.00 62.22 N ATOM 1003 CA ILE A 62 0.901 -13.178 -4.497 1.00 35.32 C ATOM 1004 C ILE A 62 1.220 -13.301 -5.978 1.00 41.53 C ATOM 1005 O ILE A 62 0.312 -13.447 -6.774 1.00 22.45 O ATOM 1006 CB ILE A 62 0.005 -11.973 -4.229 1.00 5.05 C ATOM 1007 CG1 ILE A 62 0.775 -10.676 -4.399 1.00 61.32 C ATOM 1008 CG2 ILE A 62 -0.627 -12.076 -2.854 1.00 32.21 C ATOM 1009 CD1 ILE A 62 -0.010 -9.457 -4.044 1.00 51.34 C ATOM 0 H ILE A 62 2.361 -12.313 -3.317 1.00 62.22 H new ATOM 0 HA ILE A 62 0.336 -14.069 -4.224 1.00 35.32 H new ATOM 0 HB ILE A 62 -0.800 -11.969 -4.964 1.00 5.05 H new ATOM 0 HG12 ILE A 62 1.671 -10.713 -3.779 1.00 61.32 H new ATOM 0 HG13 ILE A 62 1.106 -10.594 -5.434 1.00 61.32 H new ATOM 0 HG21 ILE A 62 -1.263 -11.208 -2.680 1.00 32.21 H new ATOM 0 HG22 ILE A 62 -1.228 -12.983 -2.797 1.00 32.21 H new ATOM 0 HG23 ILE A 62 0.155 -12.111 -2.096 1.00 32.21 H new ATOM 0 HD11 ILE A 62 0.607 -8.571 -4.191 1.00 51.34 H new ATOM 0 HD12 ILE A 62 -0.892 -9.394 -4.681 1.00 51.34 H new ATOM 0 HD13 ILE A 62 -0.319 -9.514 -3.000 1.00 51.34 H new ATOM 1021 N LYS A 63 2.500 -13.261 -6.359 1.00 72.43 N ATOM 1022 CA LYS A 63 2.841 -13.538 -7.759 1.00 24.52 C ATOM 1023 C LYS A 63 2.701 -15.024 -7.984 1.00 31.21 C ATOM 1024 O LYS A 63 2.465 -15.492 -9.099 1.00 43.42 O ATOM 1025 CB LYS A 63 4.247 -13.016 -8.179 1.00 74.02 C ATOM 1026 CG LYS A 63 5.428 -13.674 -7.485 1.00 52.13 C ATOM 1027 CD LYS A 63 6.763 -13.026 -7.872 1.00 60.45 C ATOM 1028 CE LYS A 63 7.126 -13.243 -9.340 1.00 43.52 C ATOM 1029 NZ LYS A 63 7.380 -14.671 -9.657 1.00 12.11 N ATOM 0 H LYS A 63 3.289 -13.049 -5.748 1.00 72.43 H new ATOM 0 HA LYS A 63 2.151 -12.988 -8.399 1.00 24.52 H new ATOM 0 HB2 LYS A 63 4.359 -13.153 -9.255 1.00 74.02 H new ATOM 0 HB3 LYS A 63 4.288 -11.944 -7.988 1.00 74.02 H new ATOM 0 HG2 LYS A 63 5.294 -13.609 -6.405 1.00 52.13 H new ATOM 0 HG3 LYS A 63 5.453 -14.733 -7.740 1.00 52.13 H new ATOM 0 HD2 LYS A 63 6.714 -11.956 -7.669 1.00 60.45 H new ATOM 0 HD3 LYS A 63 7.555 -13.433 -7.243 1.00 60.45 H new ATOM 0 HE2 LYS A 63 6.317 -12.873 -9.970 1.00 43.52 H new ATOM 0 HE3 LYS A 63 8.013 -12.657 -9.582 1.00 43.52 H new ATOM 0 HZ1 LYS A 63 7.768 -14.749 -10.619 1.00 12.11 H new ATOM 0 HZ2 LYS A 63 8.061 -15.062 -8.976 1.00 12.11 H new ATOM 0 HZ3 LYS A 63 6.488 -15.203 -9.599 1.00 12.11 H new ATOM 1043 N LYS A 64 2.852 -15.764 -6.897 1.00 31.54 N ATOM 1044 CA LYS A 64 2.598 -17.180 -6.888 1.00 74.04 C ATOM 1045 C LYS A 64 1.074 -17.432 -6.662 1.00 55.34 C ATOM 1046 O LYS A 64 0.573 -18.536 -6.849 1.00 51.24 O ATOM 1047 CB LYS A 64 3.410 -17.803 -5.746 1.00 25.53 C ATOM 1048 CG LYS A 64 3.304 -19.307 -5.629 1.00 40.02 C ATOM 1049 CD LYS A 64 4.081 -19.809 -4.439 1.00 31.11 C ATOM 1050 CE LYS A 64 4.004 -21.317 -4.328 1.00 25.24 C ATOM 1051 NZ LYS A 64 4.750 -21.822 -3.163 1.00 2.43 N ATOM 0 H LYS A 64 3.155 -15.390 -5.998 1.00 31.54 H new ATOM 0 HA LYS A 64 2.889 -17.628 -7.838 1.00 74.04 H new ATOM 0 HB2 LYS A 64 4.459 -17.538 -5.880 1.00 25.53 H new ATOM 0 HB3 LYS A 64 3.086 -17.357 -4.806 1.00 25.53 H new ATOM 0 HG2 LYS A 64 2.257 -19.596 -5.533 1.00 40.02 H new ATOM 0 HG3 LYS A 64 3.682 -19.774 -6.539 1.00 40.02 H new ATOM 0 HD2 LYS A 64 5.123 -19.501 -4.526 1.00 31.11 H new ATOM 0 HD3 LYS A 64 3.690 -19.355 -3.529 1.00 31.11 H new ATOM 0 HE2 LYS A 64 2.960 -21.622 -4.251 1.00 25.24 H new ATOM 0 HE3 LYS A 64 4.402 -21.768 -5.237 1.00 25.24 H new ATOM 0 HZ1 LYS A 64 4.672 -22.858 -3.123 1.00 2.43 H new ATOM 0 HZ2 LYS A 64 5.751 -21.553 -3.249 1.00 2.43 H new ATOM 0 HZ3 LYS A 64 4.355 -21.412 -2.293 1.00 2.43 H new ATOM 1065 N LEU A 65 0.355 -16.385 -6.262 1.00 13.22 N ATOM 1066 CA LEU A 65 -1.054 -16.516 -5.894 1.00 51.21 C ATOM 1067 C LEU A 65 -1.983 -16.072 -7.044 1.00 5.45 C ATOM 1068 O LEU A 65 -2.682 -16.896 -7.629 1.00 61.41 O ATOM 1069 CB LEU A 65 -1.338 -15.690 -4.606 1.00 13.45 C ATOM 1070 CG LEU A 65 -2.609 -15.999 -3.761 1.00 41.50 C ATOM 1071 CD1 LEU A 65 -3.916 -15.841 -4.525 1.00 55.05 C ATOM 1072 CD2 LEU A 65 -2.504 -17.367 -3.122 1.00 23.33 C ATOM 0 H LEU A 65 0.724 -15.437 -6.184 1.00 13.22 H new ATOM 0 HA LEU A 65 -1.262 -17.568 -5.698 1.00 51.21 H new ATOM 0 HB2 LEU A 65 -0.475 -15.801 -3.950 1.00 13.45 H new ATOM 0 HB3 LEU A 65 -1.385 -14.640 -4.895 1.00 13.45 H new ATOM 0 HG LEU A 65 -2.643 -15.242 -2.978 1.00 41.50 H new ATOM 0 HD11 LEU A 65 -4.753 -16.074 -3.867 1.00 55.05 H new ATOM 0 HD12 LEU A 65 -4.008 -14.814 -4.880 1.00 55.05 H new ATOM 0 HD13 LEU A 65 -3.924 -16.521 -5.377 1.00 55.05 H new ATOM 0 HD21 LEU A 65 -3.401 -17.565 -2.536 1.00 23.33 H new ATOM 0 HD22 LEU A 65 -2.404 -18.125 -3.899 1.00 23.33 H new ATOM 0 HD23 LEU A 65 -1.631 -17.398 -2.470 1.00 23.33 H new ATOM 1084 N TYR A 66 -1.979 -14.785 -7.375 1.00 21.33 N ATOM 1085 CA TYR A 66 -2.947 -14.260 -8.327 1.00 21.32 C ATOM 1086 C TYR A 66 -2.272 -13.544 -9.510 1.00 14.21 C ATOM 1087 O TYR A 66 -1.047 -13.598 -9.661 1.00 72.32 O ATOM 1088 CB TYR A 66 -3.993 -13.341 -7.608 1.00 15.53 C ATOM 1089 CG TYR A 66 -3.514 -12.009 -7.039 1.00 3.14 C ATOM 1090 CD1 TYR A 66 -3.260 -10.929 -7.858 1.00 70.24 C ATOM 1091 CD2 TYR A 66 -3.383 -11.829 -5.676 1.00 42.33 C ATOM 1092 CE1 TYR A 66 -2.879 -9.710 -7.350 1.00 64.51 C ATOM 1093 CE2 TYR A 66 -2.997 -10.613 -5.157 1.00 2.23 C ATOM 1094 CZ TYR A 66 -2.745 -9.558 -6.004 1.00 42.23 C ATOM 1095 OH TYR A 66 -2.360 -8.343 -5.490 1.00 51.43 O ATOM 0 H TYR A 66 -1.325 -14.096 -7.003 1.00 21.33 H new ATOM 0 HA TYR A 66 -3.483 -15.110 -8.750 1.00 21.32 H new ATOM 0 HB2 TYR A 66 -4.794 -13.131 -8.317 1.00 15.53 H new ATOM 0 HB3 TYR A 66 -4.432 -13.913 -6.791 1.00 15.53 H new ATOM 0 HD1 TYR A 66 -3.363 -11.044 -8.927 1.00 70.24 H new ATOM 0 HD2 TYR A 66 -3.586 -12.653 -5.008 1.00 42.33 H new ATOM 0 HE1 TYR A 66 -2.688 -8.880 -8.013 1.00 64.51 H new ATOM 0 HE2 TYR A 66 -2.892 -10.488 -4.089 1.00 2.23 H new ATOM 0 HH TYR A 66 -2.405 -8.373 -4.511 1.00 51.43 H new ATOM 1105 N LYS A 67 -3.084 -12.915 -10.366 1.00 24.03 N ATOM 1106 CA LYS A 67 -2.577 -12.142 -11.503 1.00 31.11 C ATOM 1107 C LYS A 67 -2.124 -10.786 -11.030 1.00 5.15 C ATOM 1108 O LYS A 67 -2.937 -9.941 -10.664 1.00 30.31 O ATOM 1109 CB LYS A 67 -3.633 -12.007 -12.601 1.00 74.04 C ATOM 1110 CG LYS A 67 -4.030 -13.331 -13.237 1.00 64.34 C ATOM 1111 CD LYS A 67 -5.061 -13.151 -14.350 1.00 15.10 C ATOM 1112 CE LYS A 67 -6.398 -12.620 -13.828 1.00 13.24 C ATOM 1113 NZ LYS A 67 -7.037 -13.558 -12.871 1.00 24.30 N ATOM 0 H LYS A 67 -4.101 -12.927 -10.291 1.00 24.03 H new ATOM 0 HA LYS A 67 -1.728 -12.674 -11.932 1.00 31.11 H new ATOM 0 HB2 LYS A 67 -4.522 -11.535 -12.182 1.00 74.04 H new ATOM 0 HB3 LYS A 67 -3.254 -11.341 -13.376 1.00 74.04 H new ATOM 0 HG2 LYS A 67 -3.143 -13.818 -13.641 1.00 64.34 H new ATOM 0 HG3 LYS A 67 -4.436 -13.992 -12.472 1.00 64.34 H new ATOM 0 HD2 LYS A 67 -4.667 -12.463 -15.098 1.00 15.10 H new ATOM 0 HD3 LYS A 67 -5.223 -14.106 -14.849 1.00 15.10 H new ATOM 0 HE2 LYS A 67 -6.240 -11.658 -13.341 1.00 13.24 H new ATOM 0 HE3 LYS A 67 -7.071 -12.445 -14.668 1.00 13.24 H new ATOM 0 HZ1 LYS A 67 -8.014 -13.254 -12.687 1.00 24.30 H new ATOM 0 HZ2 LYS A 67 -7.043 -14.516 -13.276 1.00 24.30 H new ATOM 0 HZ3 LYS A 67 -6.502 -13.562 -11.979 1.00 24.30 H new ATOM 1127 N VAL A 68 -0.846 -10.584 -11.046 1.00 72.20 N ATOM 1128 CA VAL A 68 -0.245 -9.414 -10.475 1.00 0.05 C ATOM 1129 C VAL A 68 0.865 -8.917 -11.435 1.00 3.45 C ATOM 1130 O VAL A 68 1.465 -9.736 -12.147 1.00 53.11 O ATOM 1131 CB VAL A 68 0.349 -9.806 -9.060 1.00 73.14 C ATOM 1132 CG1 VAL A 68 1.524 -10.731 -9.151 1.00 71.55 C ATOM 1133 CG2 VAL A 68 0.671 -8.636 -8.208 1.00 72.34 C ATOM 0 H VAL A 68 -0.178 -11.234 -11.461 1.00 72.20 H new ATOM 0 HA VAL A 68 -0.971 -8.612 -10.341 1.00 0.05 H new ATOM 0 HB VAL A 68 -0.460 -10.347 -8.570 1.00 73.14 H new ATOM 0 HG11 VAL A 68 1.884 -10.961 -8.148 1.00 71.55 H new ATOM 0 HG12 VAL A 68 1.224 -11.653 -9.649 1.00 71.55 H new ATOM 0 HG13 VAL A 68 2.320 -10.253 -9.722 1.00 71.55 H new ATOM 0 HG21 VAL A 68 1.073 -8.980 -7.255 1.00 72.34 H new ATOM 0 HG22 VAL A 68 1.411 -8.013 -8.710 1.00 72.34 H new ATOM 0 HG23 VAL A 68 -0.234 -8.054 -8.032 1.00 72.34 H new ATOM 1143 N PRO A 69 1.108 -7.578 -11.532 1.00 12.13 N ATOM 1144 CA PRO A 69 2.188 -7.026 -12.384 1.00 50.11 C ATOM 1145 C PRO A 69 3.599 -7.408 -11.875 1.00 10.32 C ATOM 1146 O PRO A 69 3.734 -8.223 -10.949 1.00 12.33 O ATOM 1147 CB PRO A 69 1.976 -5.506 -12.285 1.00 23.03 C ATOM 1148 CG PRO A 69 1.217 -5.301 -11.025 1.00 53.33 C ATOM 1149 CD PRO A 69 0.332 -6.502 -10.878 1.00 53.52 C ATOM 0 HA PRO A 69 2.141 -7.414 -13.401 1.00 50.11 H new ATOM 0 HB2 PRO A 69 2.928 -4.976 -12.262 1.00 23.03 H new ATOM 0 HB3 PRO A 69 1.422 -5.129 -13.145 1.00 23.03 H new ATOM 0 HG2 PRO A 69 1.891 -5.206 -10.174 1.00 53.33 H new ATOM 0 HG3 PRO A 69 0.628 -4.385 -11.069 1.00 53.33 H new ATOM 0 HD2 PRO A 69 0.133 -6.729 -9.831 1.00 53.52 H new ATOM 0 HD3 PRO A 69 -0.634 -6.352 -11.361 1.00 53.52 H new ATOM 1157 N ASP A 70 4.638 -6.802 -12.469 1.00 65.23 N ATOM 1158 CA ASP A 70 6.059 -7.069 -12.104 1.00 40.52 C ATOM 1159 C ASP A 70 6.306 -6.774 -10.642 1.00 61.15 C ATOM 1160 O ASP A 70 5.497 -6.135 -9.992 1.00 72.34 O ATOM 1161 CB ASP A 70 7.032 -6.211 -12.943 1.00 50.53 C ATOM 1162 CG ASP A 70 7.015 -6.510 -14.420 1.00 11.34 C ATOM 1163 OD1 ASP A 70 6.141 -5.977 -15.138 1.00 73.22 O ATOM 1164 OD2 ASP A 70 7.889 -7.272 -14.898 1.00 0.14 O ATOM 0 H ASP A 70 4.530 -6.114 -13.214 1.00 65.23 H new ATOM 0 HA ASP A 70 6.240 -8.124 -12.308 1.00 40.52 H new ATOM 0 HB2 ASP A 70 6.788 -5.159 -12.795 1.00 50.53 H new ATOM 0 HB3 ASP A 70 8.044 -6.360 -12.567 1.00 50.53 H new ATOM 1169 N PHE A 71 7.402 -7.228 -10.118 1.00 73.34 N ATOM 1170 CA PHE A 71 7.706 -6.967 -8.739 1.00 44.35 C ATOM 1171 C PHE A 71 8.744 -5.861 -8.613 1.00 44.13 C ATOM 1172 O PHE A 71 9.574 -5.694 -9.507 1.00 54.24 O ATOM 1173 CB PHE A 71 8.133 -8.252 -7.993 1.00 53.43 C ATOM 1174 CG PHE A 71 9.352 -8.965 -8.542 1.00 21.33 C ATOM 1175 CD1 PHE A 71 10.626 -8.629 -8.108 1.00 53.02 C ATOM 1176 CD2 PHE A 71 9.220 -9.978 -9.480 1.00 5.32 C ATOM 1177 CE1 PHE A 71 11.738 -9.284 -8.595 1.00 52.12 C ATOM 1178 CE2 PHE A 71 10.330 -10.637 -9.973 1.00 33.50 C ATOM 1179 CZ PHE A 71 11.590 -10.289 -9.530 1.00 43.33 C ATOM 0 H PHE A 71 8.100 -7.779 -10.618 1.00 73.34 H new ATOM 0 HA PHE A 71 6.794 -6.617 -8.256 1.00 44.35 H new ATOM 0 HB2 PHE A 71 8.325 -7.997 -6.951 1.00 53.43 H new ATOM 0 HB3 PHE A 71 7.295 -8.949 -8.001 1.00 53.43 H new ATOM 0 HD1 PHE A 71 10.749 -7.843 -7.378 1.00 53.02 H new ATOM 0 HD2 PHE A 71 8.237 -10.255 -9.830 1.00 5.32 H new ATOM 0 HE1 PHE A 71 12.723 -9.011 -8.245 1.00 52.12 H new ATOM 0 HE2 PHE A 71 10.212 -11.423 -10.704 1.00 33.50 H new ATOM 0 HZ PHE A 71 12.459 -10.802 -9.914 1.00 43.33 H new ATOM 1189 N PRO A 72 8.682 -5.065 -7.518 1.00 74.13 N ATOM 1190 CA PRO A 72 9.650 -3.986 -7.252 1.00 71.24 C ATOM 1191 C PRO A 72 11.094 -4.487 -7.325 1.00 53.14 C ATOM 1192 O PRO A 72 11.406 -5.597 -6.864 1.00 72.12 O ATOM 1193 CB PRO A 72 9.314 -3.564 -5.824 1.00 54.23 C ATOM 1194 CG PRO A 72 7.882 -3.894 -5.662 1.00 23.25 C ATOM 1195 CD PRO A 72 7.653 -5.140 -6.463 1.00 4.00 C ATOM 0 HA PRO A 72 9.581 -3.179 -7.981 1.00 71.24 H new ATOM 0 HB2 PRO A 72 9.928 -4.098 -5.099 1.00 54.23 H new ATOM 0 HB3 PRO A 72 9.495 -2.500 -5.673 1.00 54.23 H new ATOM 0 HG2 PRO A 72 7.635 -4.054 -4.613 1.00 23.25 H new ATOM 0 HG3 PRO A 72 7.251 -3.080 -6.018 1.00 23.25 H new ATOM 0 HD2 PRO A 72 7.768 -6.036 -5.853 1.00 4.00 H new ATOM 0 HD3 PRO A 72 6.648 -5.168 -6.884 1.00 4.00 H new ATOM 1203 N SER A 73 11.954 -3.683 -7.883 1.00 61.54 N ATOM 1204 CA SER A 73 13.318 -4.066 -8.084 1.00 54.44 C ATOM 1205 C SER A 73 14.131 -3.687 -6.858 1.00 24.04 C ATOM 1206 O SER A 73 14.028 -2.568 -6.353 1.00 34.42 O ATOM 1207 CB SER A 73 13.866 -3.377 -9.342 1.00 42.52 C ATOM 1208 OG SER A 73 15.162 -3.854 -9.700 1.00 40.14 O ATOM 0 H SER A 73 11.727 -2.744 -8.211 1.00 61.54 H new ATOM 0 HA SER A 73 13.386 -5.144 -8.227 1.00 54.44 H new ATOM 0 HB2 SER A 73 13.179 -3.541 -10.172 1.00 42.52 H new ATOM 0 HB3 SER A 73 13.911 -2.301 -9.174 1.00 42.52 H new ATOM 0 HG SER A 73 15.470 -3.390 -10.506 1.00 40.14 H new ATOM 1214 N LYS A 74 14.927 -4.621 -6.381 1.00 14.33 N ATOM 1215 CA LYS A 74 15.758 -4.399 -5.215 1.00 30.44 C ATOM 1216 C LYS A 74 16.905 -3.461 -5.571 1.00 3.22 C ATOM 1217 O LYS A 74 17.461 -2.775 -4.712 1.00 42.21 O ATOM 1218 CB LYS A 74 16.323 -5.734 -4.710 1.00 42.21 C ATOM 1219 CG LYS A 74 17.162 -5.629 -3.436 1.00 21.14 C ATOM 1220 CD LYS A 74 17.789 -6.966 -3.050 1.00 42.11 C ATOM 1221 CE LYS A 74 18.766 -7.450 -4.115 1.00 34.24 C ATOM 1222 NZ LYS A 74 19.387 -8.743 -3.764 1.00 13.55 N ATOM 0 H LYS A 74 15.017 -5.552 -6.788 1.00 14.33 H new ATOM 0 HA LYS A 74 15.152 -3.948 -4.429 1.00 30.44 H new ATOM 0 HB2 LYS A 74 15.495 -6.419 -4.528 1.00 42.21 H new ATOM 0 HB3 LYS A 74 16.935 -6.175 -5.497 1.00 42.21 H new ATOM 0 HG2 LYS A 74 17.949 -4.888 -3.580 1.00 21.14 H new ATOM 0 HG3 LYS A 74 16.535 -5.273 -2.618 1.00 21.14 H new ATOM 0 HD2 LYS A 74 18.308 -6.864 -2.097 1.00 42.11 H new ATOM 0 HD3 LYS A 74 17.005 -7.710 -2.908 1.00 42.11 H new ATOM 0 HE2 LYS A 74 18.243 -7.548 -5.066 1.00 34.24 H new ATOM 0 HE3 LYS A 74 19.546 -6.702 -4.255 1.00 34.24 H new ATOM 0 HZ1 LYS A 74 20.043 -9.029 -4.519 1.00 13.55 H new ATOM 0 HZ2 LYS A 74 19.909 -8.646 -2.870 1.00 13.55 H new ATOM 0 HZ3 LYS A 74 18.647 -9.466 -3.656 1.00 13.55 H new ATOM 1236 N ARG A 75 17.253 -3.430 -6.837 1.00 11.55 N ATOM 1237 CA ARG A 75 18.347 -2.616 -7.274 1.00 32.10 C ATOM 1238 C ARG A 75 17.911 -1.253 -7.686 1.00 73.12 C ATOM 1239 O ARG A 75 17.253 -1.061 -8.711 1.00 45.44 O ATOM 1240 CB ARG A 75 19.182 -3.304 -8.339 1.00 64.02 C ATOM 1241 CG ARG A 75 19.918 -4.518 -7.818 1.00 3.24 C ATOM 1242 CD ARG A 75 20.854 -4.117 -6.696 1.00 21.40 C ATOM 1243 NE ARG A 75 21.573 -5.238 -6.127 1.00 63.10 N ATOM 1244 CZ ARG A 75 22.446 -5.125 -5.128 1.00 52.55 C ATOM 1245 NH1 ARG A 75 22.720 -3.924 -4.615 1.00 64.20 N ATOM 1246 NH2 ARG A 75 23.046 -6.208 -4.649 1.00 53.21 N ATOM 0 H ARG A 75 16.791 -3.960 -7.576 1.00 11.55 H new ATOM 0 HA ARG A 75 18.998 -2.479 -6.410 1.00 32.10 H new ATOM 0 HB2 ARG A 75 18.535 -3.604 -9.163 1.00 64.02 H new ATOM 0 HB3 ARG A 75 19.904 -2.594 -8.743 1.00 64.02 H new ATOM 0 HG2 ARG A 75 19.204 -5.260 -7.459 1.00 3.24 H new ATOM 0 HG3 ARG A 75 20.483 -4.984 -8.625 1.00 3.24 H new ATOM 0 HD2 ARG A 75 21.571 -3.387 -7.072 1.00 21.40 H new ATOM 0 HD3 ARG A 75 20.280 -3.625 -5.911 1.00 21.40 H new ATOM 0 HE ARG A 75 21.401 -6.166 -6.513 1.00 63.10 H new ATOM 0 HH11 ARG A 75 22.261 -3.093 -4.988 1.00 64.20 H new ATOM 0 HH12 ARG A 75 23.389 -3.837 -3.850 1.00 64.20 H new ATOM 0 HH21 ARG A 75 22.838 -7.124 -5.046 1.00 53.21 H new ATOM 0 HH22 ARG A 75 23.715 -6.124 -3.884 1.00 53.21 H new ATOM 1260 N LEU A 76 18.267 -0.326 -6.857 1.00 21.24 N ATOM 1261 CA LEU A 76 17.998 1.064 -7.014 1.00 52.14 C ATOM 1262 C LEU A 76 19.230 1.823 -6.534 1.00 40.03 C ATOM 1263 O LEU A 76 20.120 1.217 -5.912 1.00 12.31 O ATOM 1264 CB LEU A 76 16.785 1.461 -6.135 1.00 15.24 C ATOM 1265 CG LEU A 76 15.433 0.825 -6.466 1.00 21.14 C ATOM 1266 CD1 LEU A 76 14.396 1.288 -5.463 1.00 72.33 C ATOM 1267 CD2 LEU A 76 14.993 1.189 -7.882 1.00 10.03 C ATOM 0 H LEU A 76 18.784 -0.533 -6.002 1.00 21.24 H new ATOM 0 HA LEU A 76 17.773 1.297 -8.055 1.00 52.14 H new ATOM 0 HB2 LEU A 76 17.026 1.218 -5.100 1.00 15.24 H new ATOM 0 HB3 LEU A 76 16.670 2.543 -6.190 1.00 15.24 H new ATOM 0 HG LEU A 76 15.534 -0.259 -6.410 1.00 21.14 H new ATOM 0 HD11 LEU A 76 13.433 0.835 -5.699 1.00 72.33 H new ATOM 0 HD12 LEU A 76 14.701 0.990 -4.460 1.00 72.33 H new ATOM 0 HD13 LEU A 76 14.306 2.373 -5.507 1.00 72.33 H new ATOM 0 HD21 LEU A 76 14.030 0.725 -8.094 1.00 10.03 H new ATOM 0 HD22 LEU A 76 14.901 2.272 -7.967 1.00 10.03 H new ATOM 0 HD23 LEU A 76 15.734 0.830 -8.597 1.00 10.03 H new ATOM 1279 N PRO A 77 19.325 3.122 -6.821 1.00 64.32 N ATOM 1280 CA PRO A 77 20.362 3.989 -6.256 1.00 53.32 C ATOM 1281 C PRO A 77 20.171 4.105 -4.741 1.00 34.44 C ATOM 1282 O PRO A 77 19.114 3.740 -4.220 1.00 2.41 O ATOM 1283 CB PRO A 77 20.108 5.351 -6.920 1.00 42.52 C ATOM 1284 CG PRO A 77 18.692 5.295 -7.360 1.00 4.34 C ATOM 1285 CD PRO A 77 18.445 3.870 -7.746 1.00 51.53 C ATOM 0 HA PRO A 77 21.371 3.614 -6.429 1.00 53.32 H new ATOM 0 HB2 PRO A 77 20.273 6.170 -6.220 1.00 42.52 H new ATOM 0 HB3 PRO A 77 20.779 5.512 -7.764 1.00 42.52 H new ATOM 0 HG2 PRO A 77 18.021 5.606 -6.560 1.00 4.34 H new ATOM 0 HG3 PRO A 77 18.517 5.965 -8.202 1.00 4.34 H new ATOM 0 HD2 PRO A 77 17.398 3.593 -7.621 1.00 51.53 H new ATOM 0 HD3 PRO A 77 18.702 3.683 -8.789 1.00 51.53 H new ATOM 1293 N ASN A 78 21.187 4.593 -4.036 1.00 62.43 N ATOM 1294 CA ASN A 78 21.159 4.814 -2.542 1.00 31.13 C ATOM 1295 C ASN A 78 20.044 5.867 -2.119 1.00 60.51 C ATOM 1296 O ASN A 78 20.077 6.448 -1.031 1.00 74.11 O ATOM 1297 CB ASN A 78 22.554 5.307 -2.089 1.00 61.41 C ATOM 1298 CG ASN A 78 22.744 5.365 -0.567 1.00 12.14 C ATOM 1299 OD1 ASN A 78 22.160 4.434 0.157 1.00 24.42 O flip ATOM 1300 ND2 ASN A 78 23.464 6.223 -0.056 1.00 11.54 N flip ATOM 0 H ASN A 78 22.075 4.858 -4.463 1.00 62.43 H new ATOM 0 HA ASN A 78 20.911 3.871 -2.055 1.00 31.13 H new ATOM 0 HB2 ASN A 78 23.313 4.650 -2.513 1.00 61.41 H new ATOM 0 HB3 ASN A 78 22.726 6.301 -2.502 1.00 61.41 H new ATOM 0 HD21 ASN A 78 23.905 6.933 -0.641 1.00 11.54 H new ATOM 0 HD22 ASN A 78 23.620 6.224 0.952 1.00 11.54 H new ATOM 1307 N TRP A 79 19.090 6.073 -3.008 1.00 63.11 N ATOM 1308 CA TRP A 79 17.939 6.950 -2.873 1.00 3.11 C ATOM 1309 C TRP A 79 18.272 8.443 -2.959 1.00 44.24 C ATOM 1310 O TRP A 79 17.577 9.183 -3.647 1.00 60.32 O ATOM 1311 CB TRP A 79 17.037 6.609 -1.655 1.00 75.50 C ATOM 1312 CG TRP A 79 15.836 7.486 -1.621 1.00 53.34 C ATOM 1313 CD1 TRP A 79 15.494 8.397 -0.670 1.00 24.10 C ATOM 1314 CD2 TRP A 79 14.851 7.582 -2.646 1.00 42.03 C ATOM 1315 NE1 TRP A 79 14.343 9.041 -1.046 1.00 15.52 N ATOM 1316 CE2 TRP A 79 13.942 8.553 -2.263 1.00 11.33 C ATOM 1317 CE3 TRP A 79 14.658 6.924 -3.858 1.00 50.22 C ATOM 1318 CZ2 TRP A 79 12.868 8.886 -3.056 1.00 41.13 C ATOM 1319 CZ3 TRP A 79 13.597 7.260 -4.632 1.00 24.43 C ATOM 1320 CH2 TRP A 79 12.719 8.233 -4.230 1.00 4.22 C ATOM 0 H TRP A 79 19.099 5.597 -3.910 1.00 63.11 H new ATOM 0 HA TRP A 79 17.341 6.739 -3.759 1.00 3.11 H new ATOM 0 HB2 TRP A 79 16.728 5.565 -1.707 1.00 75.50 H new ATOM 0 HB3 TRP A 79 17.605 6.728 -0.732 1.00 75.50 H new ATOM 0 HD1 TRP A 79 16.044 8.584 0.240 1.00 24.10 H new ATOM 0 HE1 TRP A 79 13.864 9.764 -0.509 1.00 15.52 H new ATOM 0 HE3 TRP A 79 15.346 6.155 -4.178 1.00 50.22 H new ATOM 0 HZ2 TRP A 79 12.165 9.646 -2.750 1.00 41.13 H new ATOM 0 HZ3 TRP A 79 13.442 6.756 -5.575 1.00 24.43 H new ATOM 0 HH2 TRP A 79 11.885 8.485 -4.869 1.00 4.22 H new ATOM 1331 N ARG A 80 19.359 8.841 -2.316 1.00 42.40 N ATOM 1332 CA ARG A 80 19.814 10.250 -2.200 1.00 40.01 C ATOM 1333 C ARG A 80 19.740 11.029 -3.533 1.00 53.53 C ATOM 1334 O ARG A 80 19.412 12.218 -3.553 1.00 14.12 O ATOM 1335 CB ARG A 80 21.262 10.275 -1.712 1.00 71.14 C ATOM 1336 CG ARG A 80 21.510 9.518 -0.417 1.00 3.24 C ATOM 1337 CD ARG A 80 22.970 9.608 -0.015 1.00 44.43 C ATOM 1338 NE ARG A 80 23.352 10.985 0.285 1.00 43.40 N ATOM 1339 CZ ARG A 80 24.532 11.540 0.022 1.00 10.13 C ATOM 1340 NH1 ARG A 80 25.481 10.854 -0.603 1.00 5.13 N ATOM 1341 NH2 ARG A 80 24.756 12.791 0.388 1.00 12.05 N ATOM 0 H ARG A 80 19.979 8.186 -1.840 1.00 42.40 H new ATOM 0 HA ARG A 80 19.140 10.736 -1.495 1.00 40.01 H new ATOM 0 HB2 ARG A 80 21.900 9.856 -2.490 1.00 71.14 H new ATOM 0 HB3 ARG A 80 21.567 11.312 -1.574 1.00 71.14 H new ATOM 0 HG2 ARG A 80 20.884 9.928 0.375 1.00 3.24 H new ATOM 0 HG3 ARG A 80 21.225 8.473 -0.540 1.00 3.24 H new ATOM 0 HD2 ARG A 80 23.149 8.980 0.858 1.00 44.43 H new ATOM 0 HD3 ARG A 80 23.596 9.221 -0.819 1.00 44.43 H new ATOM 0 HE ARG A 80 22.652 11.574 0.736 1.00 43.40 H new ATOM 0 HH11 ARG A 80 25.310 9.890 -0.888 1.00 5.13 H new ATOM 0 HH12 ARG A 80 26.381 11.291 -0.799 1.00 5.13 H new ATOM 0 HH21 ARG A 80 24.028 13.320 0.867 1.00 12.05 H new ATOM 0 HH22 ARG A 80 25.657 13.226 0.191 1.00 12.05 H new ATOM 1355 N THR A 81 20.034 10.344 -4.618 1.00 22.02 N ATOM 1356 CA THR A 81 20.088 10.921 -5.947 1.00 23.50 C ATOM 1357 C THR A 81 18.684 11.381 -6.475 1.00 72.15 C ATOM 1358 O THR A 81 18.597 12.285 -7.312 1.00 73.24 O ATOM 1359 CB THR A 81 20.716 9.885 -6.907 1.00 61.10 C ATOM 1360 OG1 THR A 81 21.946 9.422 -6.328 1.00 14.11 O ATOM 1361 CG2 THR A 81 21.013 10.488 -8.272 1.00 44.14 C ATOM 0 H THR A 81 20.247 9.347 -4.601 1.00 22.02 H new ATOM 0 HA THR A 81 20.699 11.822 -5.899 1.00 23.50 H new ATOM 0 HB THR A 81 20.008 9.068 -7.046 1.00 61.10 H new ATOM 0 HG1 THR A 81 22.359 8.762 -6.923 1.00 14.11 H new ATOM 0 HG21 THR A 81 21.453 9.728 -8.917 1.00 44.14 H new ATOM 0 HG22 THR A 81 20.087 10.851 -8.719 1.00 44.14 H new ATOM 0 HG23 THR A 81 21.711 11.317 -8.159 1.00 44.14 H new ATOM 1369 N ARG A 82 17.605 10.774 -5.988 1.00 1.33 N ATOM 1370 CA ARG A 82 16.260 11.136 -6.457 1.00 22.23 C ATOM 1371 C ARG A 82 15.346 11.555 -5.315 1.00 65.54 C ATOM 1372 O ARG A 82 15.730 11.522 -4.139 1.00 34.12 O ATOM 1373 CB ARG A 82 15.567 10.031 -7.323 1.00 12.03 C ATOM 1374 CG ARG A 82 16.135 9.829 -8.741 1.00 44.42 C ATOM 1375 CD ARG A 82 17.496 9.164 -8.758 1.00 43.13 C ATOM 1376 NE ARG A 82 18.104 9.184 -10.100 1.00 13.34 N ATOM 1377 CZ ARG A 82 18.542 8.109 -10.783 1.00 72.42 C ATOM 1378 NH1 ARG A 82 18.238 6.876 -10.375 1.00 30.30 N ATOM 1379 NH2 ARG A 82 19.231 8.278 -11.905 1.00 71.13 N ATOM 0 H ARG A 82 17.628 10.040 -5.280 1.00 1.33 H new ATOM 0 HA ARG A 82 16.422 11.993 -7.111 1.00 22.23 H new ATOM 0 HB2 ARG A 82 15.633 9.084 -6.788 1.00 12.03 H new ATOM 0 HB3 ARG A 82 14.508 10.275 -7.409 1.00 12.03 H new ATOM 0 HG2 ARG A 82 15.437 9.225 -9.321 1.00 44.42 H new ATOM 0 HG3 ARG A 82 16.206 10.797 -9.237 1.00 44.42 H new ATOM 0 HD2 ARG A 82 18.156 9.671 -8.054 1.00 43.13 H new ATOM 0 HD3 ARG A 82 17.400 8.133 -8.419 1.00 43.13 H new ATOM 0 HE ARG A 82 18.202 10.093 -10.552 1.00 13.34 H new ATOM 0 HH11 ARG A 82 17.669 6.741 -9.539 1.00 30.30 H new ATOM 0 HH12 ARG A 82 18.574 6.068 -10.899 1.00 30.30 H new ATOM 0 HH21 ARG A 82 19.427 9.219 -12.246 1.00 71.13 H new ATOM 0 HH22 ARG A 82 19.565 7.467 -12.426 1.00 71.13 H new ATOM 1393 N GLY A 83 14.153 11.968 -5.668 1.00 13.25 N ATOM 1394 CA GLY A 83 13.175 12.373 -4.700 1.00 14.23 C ATOM 1395 C GLY A 83 11.949 11.499 -4.781 1.00 40.04 C ATOM 1396 O GLY A 83 11.814 10.706 -5.732 1.00 73.50 O ATOM 0 H GLY A 83 13.837 12.031 -6.636 1.00 13.25 H new ATOM 0 HA2 GLY A 83 13.602 12.316 -3.699 1.00 14.23 H new ATOM 0 HA3 GLY A 83 12.898 13.413 -4.870 1.00 14.23 H new ATOM 1400 N LEU A 84 11.039 11.648 -3.818 1.00 14.20 N ATOM 1401 CA LEU A 84 9.861 10.766 -3.691 1.00 53.21 C ATOM 1402 C LEU A 84 8.927 10.711 -4.870 1.00 1.24 C ATOM 1403 O LEU A 84 8.117 9.782 -4.942 1.00 62.40 O ATOM 1404 CB LEU A 84 9.093 10.908 -2.363 1.00 22.31 C ATOM 1405 CG LEU A 84 9.723 10.263 -1.115 1.00 1.52 C ATOM 1406 CD1 LEU A 84 9.964 8.762 -1.336 1.00 33.23 C ATOM 1407 CD2 LEU A 84 10.994 10.983 -0.677 1.00 24.30 C ATOM 0 H LEU A 84 11.090 12.376 -3.105 1.00 14.20 H new ATOM 0 HA LEU A 84 10.343 9.788 -3.680 1.00 53.21 H new ATOM 0 HB2 LEU A 84 8.958 11.971 -2.163 1.00 22.31 H new ATOM 0 HB3 LEU A 84 8.100 10.481 -2.500 1.00 22.31 H new ATOM 0 HG LEU A 84 9.010 10.368 -0.297 1.00 1.52 H new ATOM 0 HD11 LEU A 84 10.410 8.329 -0.440 1.00 33.23 H new ATOM 0 HD12 LEU A 84 9.015 8.268 -1.544 1.00 33.23 H new ATOM 0 HD13 LEU A 84 10.639 8.622 -2.181 1.00 33.23 H new ATOM 0 HD21 LEU A 84 11.403 10.493 0.207 1.00 24.30 H new ATOM 0 HD22 LEU A 84 11.727 10.950 -1.483 1.00 24.30 H new ATOM 0 HD23 LEU A 84 10.761 12.021 -0.441 1.00 24.30 H new ATOM 1419 N GLU A 85 9.028 11.670 -5.789 1.00 51.15 N ATOM 1420 CA GLU A 85 8.192 11.668 -6.990 1.00 64.35 C ATOM 1421 C GLU A 85 8.301 10.332 -7.722 1.00 52.11 C ATOM 1422 O GLU A 85 7.292 9.707 -8.039 1.00 0.22 O ATOM 1423 CB GLU A 85 8.574 12.812 -7.927 1.00 50.01 C ATOM 1424 CG GLU A 85 8.336 14.202 -7.360 1.00 75.00 C ATOM 1425 CD GLU A 85 8.807 15.284 -8.303 1.00 44.32 C ATOM 1426 OE1 GLU A 85 9.996 15.635 -8.253 1.00 44.12 O ATOM 1427 OE2 GLU A 85 7.998 15.787 -9.123 1.00 11.34 O ATOM 0 H GLU A 85 9.677 12.455 -5.726 1.00 51.15 H new ATOM 0 HA GLU A 85 7.158 11.812 -6.675 1.00 64.35 H new ATOM 0 HB2 GLU A 85 9.628 12.715 -8.186 1.00 50.01 H new ATOM 0 HB3 GLU A 85 8.008 12.710 -8.853 1.00 50.01 H new ATOM 0 HG2 GLU A 85 7.273 14.334 -7.158 1.00 75.00 H new ATOM 0 HG3 GLU A 85 8.856 14.299 -6.407 1.00 75.00 H new ATOM 1434 N GLN A 86 9.531 9.880 -7.923 1.00 54.31 N ATOM 1435 CA GLN A 86 9.801 8.635 -8.625 1.00 13.40 C ATOM 1436 C GLN A 86 9.353 7.418 -7.801 1.00 62.22 C ATOM 1437 O GLN A 86 8.681 6.521 -8.314 1.00 30.24 O ATOM 1438 CB GLN A 86 11.307 8.535 -8.947 1.00 34.13 C ATOM 1439 CG GLN A 86 11.734 7.267 -9.694 1.00 74.43 C ATOM 1440 CD GLN A 86 11.090 7.125 -11.064 1.00 25.34 C ATOM 1441 OE1 GLN A 86 10.017 6.537 -11.210 1.00 31.34 O ATOM 1442 NE2 GLN A 86 11.738 7.653 -12.071 1.00 30.01 N ATOM 0 H GLN A 86 10.369 10.366 -7.604 1.00 54.31 H new ATOM 0 HA GLN A 86 9.230 8.636 -9.553 1.00 13.40 H new ATOM 0 HB2 GLN A 86 11.593 9.402 -9.543 1.00 34.13 H new ATOM 0 HB3 GLN A 86 11.866 8.592 -8.013 1.00 34.13 H new ATOM 0 HG2 GLN A 86 12.818 7.270 -9.809 1.00 74.43 H new ATOM 0 HG3 GLN A 86 11.480 6.396 -9.090 1.00 74.43 H new ATOM 0 HE21 GLN A 86 12.624 8.133 -11.912 1.00 30.01 H new ATOM 0 HE22 GLN A 86 11.357 7.585 -13.015 1.00 30.01 H new ATOM 1451 N ARG A 87 9.705 7.409 -6.513 1.00 10.24 N ATOM 1452 CA ARG A 87 9.444 6.246 -5.674 1.00 65.23 C ATOM 1453 C ARG A 87 7.951 6.036 -5.470 1.00 43.02 C ATOM 1454 O ARG A 87 7.426 4.963 -5.748 1.00 24.20 O ATOM 1455 CB ARG A 87 10.151 6.374 -4.339 1.00 23.41 C ATOM 1456 CG ARG A 87 10.207 5.094 -3.544 1.00 3.43 C ATOM 1457 CD ARG A 87 11.097 5.264 -2.321 1.00 62.53 C ATOM 1458 NE ARG A 87 11.409 3.983 -1.687 1.00 73.33 N ATOM 1459 CZ ARG A 87 12.597 3.688 -1.109 1.00 32.52 C ATOM 1460 NH1 ARG A 87 13.531 4.630 -0.953 1.00 25.02 N ATOM 1461 NH2 ARG A 87 12.833 2.464 -0.684 1.00 22.23 N ATOM 0 H ARG A 87 10.165 8.185 -6.037 1.00 10.24 H new ATOM 0 HA ARG A 87 9.839 5.371 -6.190 1.00 65.23 H new ATOM 0 HB2 ARG A 87 11.168 6.726 -4.511 1.00 23.41 H new ATOM 0 HB3 ARG A 87 9.646 7.136 -3.745 1.00 23.41 H new ATOM 0 HG2 ARG A 87 9.202 4.808 -3.233 1.00 3.43 H new ATOM 0 HG3 ARG A 87 10.589 4.287 -4.169 1.00 3.43 H new ATOM 0 HD2 ARG A 87 12.023 5.759 -2.613 1.00 62.53 H new ATOM 0 HD3 ARG A 87 10.602 5.914 -1.600 1.00 62.53 H new ATOM 0 HE ARG A 87 10.684 3.265 -1.680 1.00 73.33 H new ATOM 0 HH11 ARG A 87 13.353 5.583 -1.271 1.00 25.02 H new ATOM 0 HH12 ARG A 87 14.423 4.397 -0.516 1.00 25.02 H new ATOM 0 HH21 ARG A 87 12.121 1.741 -0.791 1.00 22.23 H new ATOM 0 HH22 ARG A 87 13.727 2.239 -0.248 1.00 22.23 H new ATOM 1475 N ARG A 88 7.275 7.073 -4.991 1.00 2.54 N ATOM 1476 CA ARG A 88 5.833 7.044 -4.805 1.00 62.22 C ATOM 1477 C ARG A 88 5.105 6.642 -6.074 1.00 10.30 C ATOM 1478 O ARG A 88 4.225 5.798 -6.036 1.00 55.04 O ATOM 1479 CB ARG A 88 5.313 8.399 -4.202 1.00 31.42 C ATOM 1480 CG ARG A 88 3.785 8.624 -4.238 1.00 71.01 C ATOM 1481 CD ARG A 88 3.326 9.196 -5.586 1.00 44.34 C ATOM 1482 NE ARG A 88 1.868 9.273 -5.735 1.00 52.11 N ATOM 1483 CZ ARG A 88 1.202 10.295 -6.297 1.00 24.34 C ATOM 1484 NH1 ARG A 88 1.839 11.417 -6.641 1.00 4.25 N ATOM 1485 NH2 ARG A 88 -0.101 10.182 -6.506 1.00 44.43 N ATOM 0 H ARG A 88 7.711 7.955 -4.722 1.00 2.54 H new ATOM 0 HA ARG A 88 5.605 6.268 -4.075 1.00 62.22 H new ATOM 0 HB2 ARG A 88 5.643 8.461 -3.165 1.00 31.42 H new ATOM 0 HB3 ARG A 88 5.792 9.218 -4.738 1.00 31.42 H new ATOM 0 HG2 ARG A 88 3.274 7.680 -4.051 1.00 71.01 H new ATOM 0 HG3 ARG A 88 3.499 9.306 -3.437 1.00 71.01 H new ATOM 0 HD2 ARG A 88 3.747 10.194 -5.708 1.00 44.34 H new ATOM 0 HD3 ARG A 88 3.731 8.579 -6.388 1.00 44.34 H new ATOM 0 HE ARG A 88 1.317 8.489 -5.384 1.00 52.11 H new ATOM 0 HH11 ARG A 88 2.842 11.505 -6.478 1.00 4.25 H new ATOM 0 HH12 ARG A 88 1.323 12.186 -7.067 1.00 4.25 H new ATOM 0 HH21 ARG A 88 -0.588 9.326 -6.241 1.00 44.43 H new ATOM 0 HH22 ARG A 88 -0.618 10.951 -6.932 1.00 44.43 H new ATOM 1499 N GLN A 89 5.508 7.204 -7.195 1.00 64.22 N ATOM 1500 CA GLN A 89 4.828 6.937 -8.448 1.00 15.43 C ATOM 1501 C GLN A 89 5.064 5.502 -8.924 1.00 14.01 C ATOM 1502 O GLN A 89 4.154 4.868 -9.484 1.00 14.12 O ATOM 1503 CB GLN A 89 5.232 7.952 -9.513 1.00 45.14 C ATOM 1504 CG GLN A 89 4.543 7.760 -10.846 1.00 64.40 C ATOM 1505 CD GLN A 89 4.921 8.820 -11.843 1.00 63.04 C ATOM 1506 OE1 GLN A 89 4.265 9.859 -11.936 1.00 71.35 O ATOM 1507 NE2 GLN A 89 5.965 8.581 -12.591 1.00 64.32 N ATOM 0 H GLN A 89 6.298 7.845 -7.266 1.00 64.22 H new ATOM 0 HA GLN A 89 3.757 7.044 -8.273 1.00 15.43 H new ATOM 0 HB2 GLN A 89 5.014 8.954 -9.145 1.00 45.14 H new ATOM 0 HB3 GLN A 89 6.310 7.895 -9.663 1.00 45.14 H new ATOM 0 HG2 GLN A 89 4.800 6.779 -11.247 1.00 64.40 H new ATOM 0 HG3 GLN A 89 3.463 7.772 -10.699 1.00 64.40 H new ATOM 0 HE21 GLN A 89 6.481 7.708 -12.482 1.00 64.32 H new ATOM 0 HE22 GLN A 89 6.264 9.268 -13.284 1.00 64.32 H new ATOM 1516 N GLY A 90 6.261 4.984 -8.699 1.00 60.44 N ATOM 1517 CA GLY A 90 6.545 3.628 -9.102 1.00 63.45 C ATOM 1518 C GLY A 90 5.712 2.626 -8.331 1.00 32.54 C ATOM 1519 O GLY A 90 4.981 1.822 -8.926 1.00 75.23 O ATOM 0 H GLY A 90 7.033 5.475 -8.248 1.00 60.44 H new ATOM 0 HA2 GLY A 90 6.351 3.518 -10.169 1.00 63.45 H new ATOM 0 HA3 GLY A 90 7.603 3.417 -8.947 1.00 63.45 H new ATOM 1523 N LEU A 91 5.744 2.725 -7.015 1.00 53.22 N ATOM 1524 CA LEU A 91 5.005 1.792 -6.177 1.00 70.31 C ATOM 1525 C LEU A 91 3.511 1.963 -6.327 1.00 74.14 C ATOM 1526 O LEU A 91 2.768 0.985 -6.286 1.00 65.12 O ATOM 1527 CB LEU A 91 5.435 1.832 -4.693 1.00 35.11 C ATOM 1528 CG LEU A 91 6.828 1.251 -4.330 1.00 63.14 C ATOM 1529 CD1 LEU A 91 6.946 -0.209 -4.742 1.00 12.32 C ATOM 1530 CD2 LEU A 91 7.963 2.065 -4.913 1.00 34.24 C ATOM 0 H LEU A 91 6.269 3.435 -6.504 1.00 53.22 H new ATOM 0 HA LEU A 91 5.263 0.797 -6.541 1.00 70.31 H new ATOM 0 HB2 LEU A 91 5.409 2.871 -4.364 1.00 35.11 H new ATOM 0 HB3 LEU A 91 4.686 1.295 -4.112 1.00 35.11 H new ATOM 0 HG LEU A 91 6.913 1.309 -3.245 1.00 63.14 H new ATOM 0 HD11 LEU A 91 7.933 -0.584 -4.473 1.00 12.32 H new ATOM 0 HD12 LEU A 91 6.183 -0.795 -4.229 1.00 12.32 H new ATOM 0 HD13 LEU A 91 6.806 -0.295 -5.820 1.00 12.32 H new ATOM 0 HD21 LEU A 91 8.915 1.617 -4.630 1.00 34.24 H new ATOM 0 HD22 LEU A 91 7.878 2.081 -6.000 1.00 34.24 H new ATOM 0 HD23 LEU A 91 7.914 3.084 -4.530 1.00 34.24 H new ATOM 1542 N GLU A 92 3.072 3.199 -6.543 1.00 22.12 N ATOM 1543 CA GLU A 92 1.659 3.474 -6.724 1.00 33.44 C ATOM 1544 C GLU A 92 1.150 2.780 -7.981 1.00 52.33 C ATOM 1545 O GLU A 92 0.033 2.295 -8.007 1.00 21.23 O ATOM 1546 CB GLU A 92 1.401 4.978 -6.786 1.00 2.02 C ATOM 1547 CG GLU A 92 -0.063 5.366 -6.837 1.00 31.13 C ATOM 1548 CD GLU A 92 -0.245 6.853 -6.869 1.00 54.22 C ATOM 1549 OE1 GLU A 92 -0.236 7.482 -5.793 1.00 32.42 O ATOM 1550 OE2 GLU A 92 -0.398 7.423 -7.971 1.00 14.25 O ATOM 0 H GLU A 92 3.675 4.020 -6.596 1.00 22.12 H new ATOM 0 HA GLU A 92 1.114 3.081 -5.866 1.00 33.44 H new ATOM 0 HB2 GLU A 92 1.858 5.448 -5.915 1.00 2.02 H new ATOM 0 HB3 GLU A 92 1.901 5.383 -7.666 1.00 2.02 H new ATOM 0 HG2 GLU A 92 -0.525 4.924 -7.720 1.00 31.13 H new ATOM 0 HG3 GLU A 92 -0.578 4.956 -5.968 1.00 31.13 H new ATOM 1557 N ALA A 93 1.993 2.713 -9.007 1.00 30.34 N ATOM 1558 CA ALA A 93 1.641 2.029 -10.245 1.00 72.50 C ATOM 1559 C ALA A 93 1.428 0.542 -9.988 1.00 22.51 C ATOM 1560 O ALA A 93 0.512 -0.073 -10.551 1.00 54.13 O ATOM 1561 CB ALA A 93 2.710 2.237 -11.299 1.00 33.44 C ATOM 0 H ALA A 93 2.926 3.125 -9.005 1.00 30.34 H new ATOM 0 HA ALA A 93 0.709 2.455 -10.617 1.00 72.50 H new ATOM 0 HB1 ALA A 93 2.425 1.717 -12.214 1.00 33.44 H new ATOM 0 HB2 ALA A 93 2.816 3.302 -11.505 1.00 33.44 H new ATOM 0 HB3 ALA A 93 3.659 1.841 -10.938 1.00 33.44 H new ATOM 1567 N TYR A 94 2.266 -0.038 -9.141 1.00 73.23 N ATOM 1568 CA TYR A 94 2.110 -1.447 -8.777 1.00 44.12 C ATOM 1569 C TYR A 94 0.837 -1.680 -7.940 1.00 71.43 C ATOM 1570 O TYR A 94 0.110 -2.662 -8.161 1.00 1.41 O ATOM 1571 CB TYR A 94 3.348 -2.004 -8.051 1.00 25.14 C ATOM 1572 CG TYR A 94 4.607 -2.083 -8.896 1.00 11.52 C ATOM 1573 CD1 TYR A 94 4.900 -3.216 -9.639 1.00 63.54 C ATOM 1574 CD2 TYR A 94 5.501 -1.032 -8.949 1.00 11.22 C ATOM 1575 CE1 TYR A 94 6.051 -3.283 -10.408 1.00 32.25 C ATOM 1576 CE2 TYR A 94 6.650 -1.094 -9.715 1.00 42.40 C ATOM 1577 CZ TYR A 94 6.915 -2.224 -10.444 1.00 31.11 C ATOM 1578 OH TYR A 94 8.061 -2.298 -11.213 1.00 21.42 O ATOM 0 H TYR A 94 3.053 0.434 -8.695 1.00 73.23 H new ATOM 0 HA TYR A 94 2.006 -1.996 -9.713 1.00 44.12 H new ATOM 0 HB2 TYR A 94 3.551 -1.380 -7.181 1.00 25.14 H new ATOM 0 HB3 TYR A 94 3.114 -3.002 -7.680 1.00 25.14 H new ATOM 0 HD1 TYR A 94 4.223 -4.057 -9.618 1.00 63.54 H new ATOM 0 HD2 TYR A 94 5.297 -0.139 -8.377 1.00 11.22 H new ATOM 0 HE1 TYR A 94 6.266 -4.174 -10.980 1.00 32.25 H new ATOM 0 HE2 TYR A 94 7.334 -0.258 -9.739 1.00 42.40 H new ATOM 0 HH TYR A 94 8.566 -1.462 -11.129 1.00 21.42 H new ATOM 1588 N ILE A 95 0.567 -0.769 -6.990 1.00 2.02 N ATOM 1589 CA ILE A 95 -0.635 -0.876 -6.140 1.00 13.20 C ATOM 1590 C ILE A 95 -1.888 -0.692 -7.017 1.00 34.25 C ATOM 1591 O ILE A 95 -2.862 -1.441 -6.913 1.00 15.21 O ATOM 1592 CB ILE A 95 -0.663 0.208 -5.002 1.00 12.24 C ATOM 1593 CG1 ILE A 95 0.626 0.188 -4.150 1.00 14.31 C ATOM 1594 CG2 ILE A 95 -1.878 -0.016 -4.095 1.00 11.14 C ATOM 1595 CD1 ILE A 95 0.856 -1.086 -3.357 1.00 71.44 C ATOM 0 H ILE A 95 1.155 0.040 -6.791 1.00 2.02 H new ATOM 0 HA ILE A 95 -0.616 -1.859 -5.670 1.00 13.20 H new ATOM 0 HB ILE A 95 -0.731 1.183 -5.484 1.00 12.24 H new ATOM 0 HG12 ILE A 95 1.480 0.347 -4.808 1.00 14.31 H new ATOM 0 HG13 ILE A 95 0.597 1.029 -3.457 1.00 14.31 H new ATOM 0 HG21 ILE A 95 -1.890 0.739 -3.309 1.00 11.14 H new ATOM 0 HG22 ILE A 95 -2.791 0.060 -4.685 1.00 11.14 H new ATOM 0 HG23 ILE A 95 -1.818 -1.007 -3.645 1.00 11.14 H new ATOM 0 HD11 ILE A 95 1.785 -1.001 -2.793 1.00 71.44 H new ATOM 0 HD12 ILE A 95 0.026 -1.240 -2.668 1.00 71.44 H new ATOM 0 HD13 ILE A 95 0.922 -1.933 -4.040 1.00 71.44 H new ATOM 1607 N GLN A 96 -1.831 0.304 -7.892 1.00 14.34 N ATOM 1608 CA GLN A 96 -2.920 0.596 -8.809 1.00 64.22 C ATOM 1609 C GLN A 96 -3.194 -0.587 -9.701 1.00 72.55 C ATOM 1610 O GLN A 96 -4.345 -0.956 -9.905 1.00 62.14 O ATOM 1611 CB GLN A 96 -2.594 1.814 -9.667 1.00 14.42 C ATOM 1612 CG GLN A 96 -3.682 2.177 -10.658 1.00 64.11 C ATOM 1613 CD GLN A 96 -3.296 3.336 -11.531 1.00 52.55 C ATOM 1614 OE1 GLN A 96 -3.550 4.491 -11.201 1.00 42.14 O ATOM 1615 NE2 GLN A 96 -2.683 3.048 -12.646 1.00 33.41 N ATOM 0 H GLN A 96 -1.030 0.929 -7.984 1.00 14.34 H new ATOM 0 HA GLN A 96 -3.808 0.809 -8.214 1.00 64.22 H new ATOM 0 HB2 GLN A 96 -2.411 2.668 -9.014 1.00 14.42 H new ATOM 0 HB3 GLN A 96 -1.669 1.625 -10.211 1.00 14.42 H new ATOM 0 HG2 GLN A 96 -3.904 1.312 -11.283 1.00 64.11 H new ATOM 0 HG3 GLN A 96 -4.596 2.422 -10.117 1.00 64.11 H new ATOM 0 HE21 GLN A 96 -2.490 2.075 -12.885 1.00 33.41 H new ATOM 0 HE22 GLN A 96 -2.397 3.795 -13.279 1.00 33.41 H new ATOM 1624 N GLY A 97 -2.124 -1.190 -10.199 1.00 24.44 N ATOM 1625 CA GLY A 97 -2.237 -2.316 -11.085 1.00 74.25 C ATOM 1626 C GLY A 97 -3.043 -3.445 -10.496 1.00 50.32 C ATOM 1627 O GLY A 97 -3.954 -3.945 -11.130 1.00 1.34 O ATOM 0 H GLY A 97 -1.165 -0.908 -9.996 1.00 24.44 H new ATOM 0 HA2 GLY A 97 -2.700 -1.993 -12.018 1.00 74.25 H new ATOM 0 HA3 GLY A 97 -1.239 -2.679 -11.333 1.00 74.25 H new ATOM 1631 N ILE A 98 -2.743 -3.815 -9.269 1.00 41.22 N ATOM 1632 CA ILE A 98 -3.439 -4.931 -8.640 1.00 2.34 C ATOM 1633 C ILE A 98 -4.903 -4.628 -8.328 1.00 15.32 C ATOM 1634 O ILE A 98 -5.767 -5.534 -8.375 1.00 2.10 O ATOM 1635 CB ILE A 98 -2.693 -5.477 -7.406 1.00 43.43 C ATOM 1636 CG1 ILE A 98 -2.478 -4.401 -6.344 1.00 60.53 C ATOM 1637 CG2 ILE A 98 -1.383 -6.044 -7.838 1.00 11.22 C ATOM 1638 CD1 ILE A 98 -1.700 -4.874 -5.130 1.00 1.24 C ATOM 0 H ILE A 98 -2.032 -3.370 -8.689 1.00 41.22 H new ATOM 0 HA ILE A 98 -3.442 -5.725 -9.387 1.00 2.34 H new ATOM 0 HB ILE A 98 -3.307 -6.255 -6.953 1.00 43.43 H new ATOM 0 HG12 ILE A 98 -1.950 -3.561 -6.795 1.00 60.53 H new ATOM 0 HG13 ILE A 98 -3.449 -4.029 -6.017 1.00 60.53 H new ATOM 0 HG21 ILE A 98 -0.850 -6.432 -6.970 1.00 11.22 H new ATOM 0 HG22 ILE A 98 -1.553 -6.852 -8.550 1.00 11.22 H new ATOM 0 HG23 ILE A 98 -0.787 -5.263 -8.311 1.00 11.22 H new ATOM 0 HD11 ILE A 98 -1.591 -4.051 -4.424 1.00 1.24 H new ATOM 0 HD12 ILE A 98 -2.236 -5.694 -4.651 1.00 1.24 H new ATOM 0 HD13 ILE A 98 -0.714 -5.218 -5.441 1.00 1.24 H new ATOM 1650 N LEU A 99 -5.198 -3.375 -8.039 1.00 21.53 N ATOM 1651 CA LEU A 99 -6.565 -2.975 -7.780 1.00 31.25 C ATOM 1652 C LEU A 99 -7.338 -2.905 -9.109 1.00 21.33 C ATOM 1653 O LEU A 99 -8.528 -3.240 -9.180 1.00 21.53 O ATOM 1654 CB LEU A 99 -6.600 -1.643 -6.960 1.00 71.11 C ATOM 1655 CG LEU A 99 -7.985 -1.111 -6.498 1.00 52.32 C ATOM 1656 CD1 LEU A 99 -7.818 -0.157 -5.345 1.00 63.52 C ATOM 1657 CD2 LEU A 99 -8.677 -0.371 -7.608 1.00 14.13 C ATOM 0 H LEU A 99 -4.513 -2.622 -7.978 1.00 21.53 H new ATOM 0 HA LEU A 99 -7.067 -3.718 -7.160 1.00 31.25 H new ATOM 0 HB2 LEU A 99 -5.981 -1.780 -6.073 1.00 71.11 H new ATOM 0 HB3 LEU A 99 -6.127 -0.867 -7.562 1.00 71.11 H new ATOM 0 HG LEU A 99 -8.581 -1.974 -6.201 1.00 52.32 H new ATOM 0 HD11 LEU A 99 -8.796 0.209 -5.031 1.00 63.52 H new ATOM 0 HD12 LEU A 99 -7.339 -0.672 -4.513 1.00 63.52 H new ATOM 0 HD13 LEU A 99 -7.199 0.684 -5.656 1.00 63.52 H new ATOM 0 HD21 LEU A 99 -9.644 -0.010 -7.257 1.00 14.13 H new ATOM 0 HD22 LEU A 99 -8.064 0.475 -7.918 1.00 14.13 H new ATOM 0 HD23 LEU A 99 -8.826 -1.041 -8.455 1.00 14.13 H new ATOM 1669 N TYR A 100 -6.631 -2.512 -10.149 1.00 15.41 N ATOM 1670 CA TYR A 100 -7.173 -2.418 -11.493 1.00 13.22 C ATOM 1671 C TYR A 100 -7.434 -3.815 -12.086 1.00 32.04 C ATOM 1672 O TYR A 100 -8.467 -4.040 -12.735 1.00 63.21 O ATOM 1673 CB TYR A 100 -6.189 -1.616 -12.385 1.00 3.00 C ATOM 1674 CG TYR A 100 -6.587 -1.471 -13.843 1.00 10.34 C ATOM 1675 CD1 TYR A 100 -7.462 -0.475 -14.253 1.00 70.13 C ATOM 1676 CD2 TYR A 100 -6.073 -2.326 -14.809 1.00 4.30 C ATOM 1677 CE1 TYR A 100 -7.812 -0.341 -15.583 1.00 12.42 C ATOM 1678 CE2 TYR A 100 -6.418 -2.199 -16.134 1.00 1.33 C ATOM 1679 CZ TYR A 100 -7.287 -1.205 -16.518 1.00 73.31 C ATOM 1680 OH TYR A 100 -7.635 -1.077 -17.850 1.00 35.03 O ATOM 0 H TYR A 100 -5.649 -2.245 -10.085 1.00 15.41 H new ATOM 0 HA TYR A 100 -8.130 -1.898 -11.454 1.00 13.22 H new ATOM 0 HB2 TYR A 100 -6.072 -0.620 -11.959 1.00 3.00 H new ATOM 0 HB3 TYR A 100 -5.213 -2.098 -12.341 1.00 3.00 H new ATOM 0 HD1 TYR A 100 -7.875 0.205 -13.522 1.00 70.13 H new ATOM 0 HD2 TYR A 100 -5.388 -3.107 -14.513 1.00 4.30 H new ATOM 0 HE1 TYR A 100 -8.495 0.438 -15.888 1.00 12.42 H new ATOM 0 HE2 TYR A 100 -6.009 -2.876 -16.869 1.00 1.33 H new ATOM 0 HH TYR A 100 -7.176 -1.765 -18.376 1.00 35.03 H new ATOM 1690 N LEU A 101 -6.506 -4.740 -11.851 1.00 34.32 N ATOM 1691 CA LEU A 101 -6.584 -6.101 -12.403 1.00 63.22 C ATOM 1692 C LEU A 101 -7.781 -6.909 -11.916 1.00 4.44 C ATOM 1693 O LEU A 101 -8.593 -7.345 -12.732 1.00 61.33 O ATOM 1694 CB LEU A 101 -5.294 -6.885 -12.136 1.00 72.43 C ATOM 1695 CG LEU A 101 -4.030 -6.402 -12.858 1.00 62.01 C ATOM 1696 CD1 LEU A 101 -2.832 -7.199 -12.407 1.00 31.31 C ATOM 1697 CD2 LEU A 101 -4.186 -6.532 -14.363 1.00 73.10 C ATOM 0 H LEU A 101 -5.680 -4.574 -11.276 1.00 34.32 H new ATOM 0 HA LEU A 101 -6.719 -5.958 -13.475 1.00 63.22 H new ATOM 0 HB2 LEU A 101 -5.101 -6.866 -11.063 1.00 72.43 H new ATOM 0 HB3 LEU A 101 -5.466 -7.926 -12.411 1.00 72.43 H new ATOM 0 HG LEU A 101 -3.880 -5.352 -12.608 1.00 62.01 H new ATOM 0 HD11 LEU A 101 -1.942 -6.845 -12.928 1.00 31.31 H new ATOM 0 HD12 LEU A 101 -2.697 -7.076 -11.333 1.00 31.31 H new ATOM 0 HD13 LEU A 101 -2.990 -8.253 -12.634 1.00 31.31 H new ATOM 0 HD21 LEU A 101 -3.278 -6.184 -14.854 1.00 73.10 H new ATOM 0 HD22 LEU A 101 -4.361 -7.576 -14.622 1.00 73.10 H new ATOM 0 HD23 LEU A 101 -5.032 -5.929 -14.695 1.00 73.10 H new ATOM 1709 N ASN A 102 -7.922 -7.100 -10.603 1.00 63.04 N ATOM 1710 CA ASN A 102 -9.017 -7.964 -10.110 1.00 25.13 C ATOM 1711 C ASN A 102 -9.217 -7.868 -8.610 1.00 40.14 C ATOM 1712 O ASN A 102 -10.308 -7.579 -8.147 1.00 52.54 O ATOM 1713 CB ASN A 102 -8.750 -9.455 -10.468 1.00 35.32 C ATOM 1714 CG ASN A 102 -9.888 -10.393 -10.034 1.00 50.53 C ATOM 1715 OD1 ASN A 102 -11.055 -10.012 -10.006 1.00 73.25 O ATOM 1716 ND2 ASN A 102 -9.549 -11.614 -9.691 1.00 41.22 N ATOM 0 H ASN A 102 -7.326 -6.692 -9.883 1.00 63.04 H new ATOM 0 HA ASN A 102 -9.920 -7.604 -10.603 1.00 25.13 H new ATOM 0 HB2 ASN A 102 -8.605 -9.543 -11.545 1.00 35.32 H new ATOM 0 HB3 ASN A 102 -7.822 -9.776 -9.994 1.00 35.32 H new ATOM 0 HD21 ASN A 102 -10.264 -12.276 -9.391 1.00 41.22 H new ATOM 0 HD22 ASN A 102 -8.571 -11.900 -9.725 1.00 41.22 H new ATOM 1723 N GLN A 103 -8.151 -8.101 -7.859 1.00 22.32 N ATOM 1724 CA GLN A 103 -8.230 -8.231 -6.392 1.00 61.25 C ATOM 1725 C GLN A 103 -8.742 -7.004 -5.658 1.00 62.15 C ATOM 1726 O GLN A 103 -9.235 -7.141 -4.541 1.00 40.00 O ATOM 1727 CB GLN A 103 -6.899 -8.692 -5.803 1.00 2.20 C ATOM 1728 CG GLN A 103 -6.475 -10.100 -6.208 1.00 10.01 C ATOM 1729 CD GLN A 103 -7.226 -11.253 -5.511 1.00 12.10 C ATOM 1730 OE1 GLN A 103 -8.460 -11.057 -5.097 1.00 5.52 O flip ATOM 1731 NE2 GLN A 103 -6.663 -12.327 -5.329 1.00 44.13 N flip ATOM 0 H GLN A 103 -7.209 -8.206 -8.235 1.00 22.32 H new ATOM 0 HA GLN A 103 -8.988 -8.997 -6.230 1.00 61.25 H new ATOM 0 HB2 GLN A 103 -6.121 -7.992 -6.107 1.00 2.20 H new ATOM 0 HB3 GLN A 103 -6.963 -8.645 -4.716 1.00 2.20 H new ATOM 0 HG2 GLN A 103 -6.608 -10.204 -7.285 1.00 10.01 H new ATOM 0 HG3 GLN A 103 -5.410 -10.211 -6.006 1.00 10.01 H new ATOM 0 HE21 GLN A 103 -5.706 -12.463 -5.656 1.00 44.13 H new ATOM 0 HE22 GLN A 103 -7.151 -13.084 -4.851 1.00 44.13 H new ATOM 1740 N GLU A 104 -8.631 -5.834 -6.281 1.00 3.11 N ATOM 1741 CA GLU A 104 -9.025 -4.545 -5.674 1.00 12.44 C ATOM 1742 C GLU A 104 -8.119 -4.240 -4.490 1.00 74.30 C ATOM 1743 O GLU A 104 -7.118 -3.559 -4.612 1.00 52.42 O ATOM 1744 CB GLU A 104 -10.502 -4.518 -5.204 1.00 5.41 C ATOM 1745 CG GLU A 104 -11.527 -4.841 -6.257 1.00 61.03 C ATOM 1746 CD GLU A 104 -12.920 -4.821 -5.687 1.00 20.34 C ATOM 1747 OE1 GLU A 104 -13.263 -5.737 -4.901 1.00 41.32 O ATOM 1748 OE2 GLU A 104 -13.684 -3.895 -6.003 1.00 45.01 O ATOM 0 H GLU A 104 -8.264 -5.742 -7.228 1.00 3.11 H new ATOM 0 HA GLU A 104 -8.920 -3.787 -6.451 1.00 12.44 H new ATOM 0 HB2 GLU A 104 -10.616 -5.226 -4.383 1.00 5.41 H new ATOM 0 HB3 GLU A 104 -10.719 -3.528 -4.804 1.00 5.41 H new ATOM 0 HG2 GLU A 104 -11.454 -4.120 -7.072 1.00 61.03 H new ATOM 0 HG3 GLU A 104 -11.319 -5.823 -6.681 1.00 61.03 H new ATOM 1755 N VAL A 105 -8.452 -4.804 -3.375 1.00 52.01 N ATOM 1756 CA VAL A 105 -7.692 -4.658 -2.203 1.00 12.04 C ATOM 1757 C VAL A 105 -7.353 -6.054 -1.657 1.00 20.34 C ATOM 1758 O VAL A 105 -8.227 -6.781 -1.155 1.00 3.33 O ATOM 1759 CB VAL A 105 -8.405 -3.745 -1.149 1.00 34.03 C ATOM 1760 CG1 VAL A 105 -9.802 -4.255 -0.780 1.00 34.45 C ATOM 1761 CG2 VAL A 105 -7.538 -3.571 0.091 1.00 63.51 C ATOM 0 H VAL A 105 -9.280 -5.389 -3.264 1.00 52.01 H new ATOM 0 HA VAL A 105 -6.760 -4.142 -2.436 1.00 12.04 H new ATOM 0 HB VAL A 105 -8.542 -2.769 -1.614 1.00 34.03 H new ATOM 0 HG11 VAL A 105 -10.252 -3.586 -0.046 1.00 34.45 H new ATOM 0 HG12 VAL A 105 -10.426 -4.286 -1.673 1.00 34.45 H new ATOM 0 HG13 VAL A 105 -9.724 -5.257 -0.357 1.00 34.45 H new ATOM 0 HG21 VAL A 105 -8.054 -2.933 0.809 1.00 63.51 H new ATOM 0 HG22 VAL A 105 -7.348 -4.545 0.542 1.00 63.51 H new ATOM 0 HG23 VAL A 105 -6.591 -3.110 -0.189 1.00 63.51 H new ATOM 1771 N PRO A 106 -6.091 -6.480 -1.828 1.00 4.14 N ATOM 1772 CA PRO A 106 -5.640 -7.800 -1.401 1.00 53.40 C ATOM 1773 C PRO A 106 -5.854 -8.059 0.091 1.00 33.35 C ATOM 1774 O PRO A 106 -5.455 -7.257 0.953 1.00 53.04 O ATOM 1775 CB PRO A 106 -4.148 -7.812 -1.739 1.00 63.31 C ATOM 1776 CG PRO A 106 -3.985 -6.762 -2.776 1.00 32.24 C ATOM 1777 CD PRO A 106 -5.008 -5.711 -2.468 1.00 55.02 C ATOM 0 HA PRO A 106 -6.208 -8.585 -1.900 1.00 53.40 H new ATOM 0 HB2 PRO A 106 -3.541 -7.597 -0.859 1.00 63.31 H new ATOM 0 HB3 PRO A 106 -3.835 -8.787 -2.111 1.00 63.31 H new ATOM 0 HG2 PRO A 106 -2.978 -6.345 -2.753 1.00 32.24 H new ATOM 0 HG3 PRO A 106 -4.137 -7.173 -3.774 1.00 32.24 H new ATOM 0 HD2 PRO A 106 -4.611 -4.944 -1.804 1.00 55.02 H new ATOM 0 HD3 PRO A 106 -5.351 -5.205 -3.370 1.00 55.02 H new ATOM 1785 N LYS A 107 -6.468 -9.198 0.379 1.00 23.42 N ATOM 1786 CA LYS A 107 -6.764 -9.649 1.735 1.00 73.42 C ATOM 1787 C LYS A 107 -5.475 -9.835 2.526 1.00 34.10 C ATOM 1788 O LYS A 107 -5.463 -9.759 3.758 1.00 65.55 O ATOM 1789 CB LYS A 107 -7.625 -10.960 1.658 1.00 42.02 C ATOM 1790 CG LYS A 107 -8.047 -11.633 2.995 1.00 44.50 C ATOM 1791 CD LYS A 107 -6.932 -12.467 3.667 1.00 24.32 C ATOM 1792 CE LYS A 107 -6.512 -13.657 2.800 1.00 63.13 C ATOM 1793 NZ LYS A 107 -5.514 -14.526 3.466 1.00 21.44 N ATOM 0 H LYS A 107 -6.782 -9.851 -0.339 1.00 23.42 H new ATOM 0 HA LYS A 107 -7.345 -8.897 2.268 1.00 73.42 H new ATOM 0 HB2 LYS A 107 -8.532 -10.732 1.098 1.00 42.02 H new ATOM 0 HB3 LYS A 107 -7.066 -11.693 1.076 1.00 42.02 H new ATOM 0 HG2 LYS A 107 -8.375 -10.860 3.690 1.00 44.50 H new ATOM 0 HG3 LYS A 107 -8.905 -12.279 2.808 1.00 44.50 H new ATOM 0 HD2 LYS A 107 -6.067 -11.832 3.856 1.00 24.32 H new ATOM 0 HD3 LYS A 107 -7.281 -12.827 4.635 1.00 24.32 H new ATOM 0 HE2 LYS A 107 -7.393 -14.248 2.550 1.00 63.13 H new ATOM 0 HE3 LYS A 107 -6.098 -13.289 1.861 1.00 63.13 H new ATOM 0 HZ1 LYS A 107 -4.960 -15.033 2.747 1.00 21.44 H new ATOM 0 HZ2 LYS A 107 -4.877 -13.942 4.045 1.00 21.44 H new ATOM 0 HZ3 LYS A 107 -6.003 -15.213 4.074 1.00 21.44 H new ATOM 1807 N GLU A 108 -4.387 -10.034 1.813 1.00 25.34 N ATOM 1808 CA GLU A 108 -3.127 -10.282 2.435 1.00 51.50 C ATOM 1809 C GLU A 108 -2.617 -9.079 3.241 1.00 72.41 C ATOM 1810 O GLU A 108 -1.887 -9.262 4.177 1.00 5.24 O ATOM 1811 CB GLU A 108 -2.103 -10.826 1.448 1.00 73.54 C ATOM 1812 CG GLU A 108 -0.833 -11.315 2.113 1.00 35.40 C ATOM 1813 CD GLU A 108 -0.011 -12.162 1.207 1.00 4.03 C ATOM 1814 OE1 GLU A 108 -0.513 -13.222 0.795 1.00 2.05 O ATOM 1815 OE2 GLU A 108 1.150 -11.833 0.956 1.00 3.32 O ATOM 0 H GLU A 108 -4.362 -10.026 0.793 1.00 25.34 H new ATOM 0 HA GLU A 108 -3.287 -11.071 3.170 1.00 51.50 H new ATOM 0 HB2 GLU A 108 -2.550 -11.646 0.886 1.00 73.54 H new ATOM 0 HB3 GLU A 108 -1.852 -10.046 0.729 1.00 73.54 H new ATOM 0 HG2 GLU A 108 -0.244 -10.458 2.440 1.00 35.40 H new ATOM 0 HG3 GLU A 108 -1.089 -11.885 3.006 1.00 35.40 H new ATOM 1822 N LEU A 109 -3.048 -7.844 2.905 1.00 2.34 N ATOM 1823 CA LEU A 109 -2.665 -6.687 3.729 1.00 3.32 C ATOM 1824 C LEU A 109 -3.291 -6.825 5.102 1.00 23.43 C ATOM 1825 O LEU A 109 -2.676 -6.511 6.124 1.00 41.45 O ATOM 1826 CB LEU A 109 -3.070 -5.319 3.109 1.00 45.22 C ATOM 1827 CG LEU A 109 -2.304 -4.819 1.868 1.00 50.10 C ATOM 1828 CD1 LEU A 109 -0.811 -4.715 2.146 1.00 24.42 C ATOM 1829 CD2 LEU A 109 -2.578 -5.670 0.647 1.00 12.32 C ATOM 0 H LEU A 109 -3.638 -7.630 2.101 1.00 2.34 H new ATOM 0 HA LEU A 109 -1.577 -6.689 3.790 1.00 3.32 H new ATOM 0 HB2 LEU A 109 -4.127 -5.374 2.847 1.00 45.22 H new ATOM 0 HB3 LEU A 109 -2.973 -4.561 3.886 1.00 45.22 H new ATOM 0 HG LEU A 109 -2.674 -3.818 1.647 1.00 50.10 H new ATOM 0 HD11 LEU A 109 -0.298 -4.360 1.252 1.00 24.42 H new ATOM 0 HD12 LEU A 109 -0.641 -4.015 2.964 1.00 24.42 H new ATOM 0 HD13 LEU A 109 -0.423 -5.696 2.421 1.00 24.42 H new ATOM 0 HD21 LEU A 109 -2.017 -5.280 -0.202 1.00 12.32 H new ATOM 0 HD22 LEU A 109 -2.271 -6.697 0.843 1.00 12.32 H new ATOM 0 HD23 LEU A 109 -3.644 -5.647 0.419 1.00 12.32 H new ATOM 1841 N LEU A 110 -4.492 -7.353 5.121 1.00 33.42 N ATOM 1842 CA LEU A 110 -5.229 -7.547 6.349 1.00 23.20 C ATOM 1843 C LEU A 110 -4.585 -8.630 7.168 1.00 41.34 C ATOM 1844 O LEU A 110 -4.522 -8.552 8.377 1.00 61.14 O ATOM 1845 CB LEU A 110 -6.730 -7.835 6.094 1.00 73.22 C ATOM 1846 CG LEU A 110 -7.576 -6.695 5.464 1.00 10.32 C ATOM 1847 CD1 LEU A 110 -7.135 -6.360 4.051 1.00 45.33 C ATOM 1848 CD2 LEU A 110 -9.055 -7.034 5.501 1.00 63.00 C ATOM 0 H LEU A 110 -4.987 -7.661 4.284 1.00 33.42 H new ATOM 0 HA LEU A 110 -5.193 -6.616 6.915 1.00 23.20 H new ATOM 0 HB2 LEU A 110 -6.801 -8.707 5.443 1.00 73.22 H new ATOM 0 HB3 LEU A 110 -7.187 -8.109 7.045 1.00 73.22 H new ATOM 0 HG LEU A 110 -7.408 -5.805 6.070 1.00 10.32 H new ATOM 0 HD11 LEU A 110 -7.758 -5.557 3.656 1.00 45.33 H new ATOM 0 HD12 LEU A 110 -6.093 -6.039 4.061 1.00 45.33 H new ATOM 0 HD13 LEU A 110 -7.237 -7.242 3.419 1.00 45.33 H new ATOM 0 HD21 LEU A 110 -9.626 -6.220 5.054 1.00 63.00 H new ATOM 0 HD22 LEU A 110 -9.232 -7.952 4.941 1.00 63.00 H new ATOM 0 HD23 LEU A 110 -9.371 -7.174 6.535 1.00 63.00 H new ATOM 1860 N GLU A 111 -4.073 -9.606 6.492 1.00 71.42 N ATOM 1861 CA GLU A 111 -3.366 -10.698 7.113 1.00 5.44 C ATOM 1862 C GLU A 111 -1.943 -10.250 7.528 1.00 35.31 C ATOM 1863 O GLU A 111 -1.308 -10.859 8.396 1.00 34.51 O ATOM 1864 CB GLU A 111 -3.272 -11.849 6.112 1.00 22.13 C ATOM 1865 CG GLU A 111 -2.618 -13.107 6.645 1.00 14.21 C ATOM 1866 CD GLU A 111 -2.459 -14.145 5.582 1.00 1.11 C ATOM 1867 OE1 GLU A 111 -3.450 -14.802 5.228 1.00 64.51 O ATOM 1868 OE2 GLU A 111 -1.340 -14.312 5.065 1.00 22.50 O ATOM 0 H GLU A 111 -4.131 -9.676 5.476 1.00 71.42 H new ATOM 0 HA GLU A 111 -3.901 -11.019 8.007 1.00 5.44 H new ATOM 0 HB2 GLU A 111 -4.277 -12.097 5.770 1.00 22.13 H new ATOM 0 HB3 GLU A 111 -2.713 -11.508 5.240 1.00 22.13 H new ATOM 0 HG2 GLU A 111 -1.641 -12.860 7.061 1.00 14.21 H new ATOM 0 HG3 GLU A 111 -3.218 -13.511 7.460 1.00 14.21 H new ATOM 1875 N PHE A 112 -1.469 -9.173 6.928 1.00 42.32 N ATOM 1876 CA PHE A 112 -0.089 -8.782 7.079 1.00 44.23 C ATOM 1877 C PHE A 112 0.090 -7.845 8.258 1.00 3.11 C ATOM 1878 O PHE A 112 0.895 -8.108 9.144 1.00 31.43 O ATOM 1879 CB PHE A 112 0.422 -8.141 5.781 1.00 63.34 C ATOM 1880 CG PHE A 112 1.905 -8.015 5.697 1.00 33.02 C ATOM 1881 CD1 PHE A 112 2.670 -9.089 5.265 1.00 31.51 C ATOM 1882 CD2 PHE A 112 2.536 -6.840 6.033 1.00 32.43 C ATOM 1883 CE1 PHE A 112 4.039 -8.989 5.173 1.00 32.30 C ATOM 1884 CE2 PHE A 112 3.902 -6.736 5.944 1.00 52.42 C ATOM 1885 CZ PHE A 112 4.657 -7.811 5.513 1.00 54.34 C ATOM 0 H PHE A 112 -2.023 -8.557 6.333 1.00 42.32 H new ATOM 0 HA PHE A 112 0.502 -9.675 7.281 1.00 44.23 H new ATOM 0 HB2 PHE A 112 0.072 -8.733 4.936 1.00 63.34 H new ATOM 0 HB3 PHE A 112 -0.021 -7.150 5.681 1.00 63.34 H new ATOM 0 HD1 PHE A 112 2.184 -10.016 4.997 1.00 31.51 H new ATOM 0 HD2 PHE A 112 1.954 -5.995 6.369 1.00 32.43 H new ATOM 0 HE1 PHE A 112 4.624 -9.832 4.835 1.00 32.30 H new ATOM 0 HE2 PHE A 112 4.389 -5.810 6.212 1.00 52.42 H new ATOM 0 HZ PHE A 112 5.731 -7.724 5.444 1.00 54.34 H new ATOM 1895 N LEU A 113 -0.668 -6.758 8.286 1.00 3.22 N ATOM 1896 CA LEU A 113 -0.530 -5.803 9.394 1.00 54.22 C ATOM 1897 C LEU A 113 -1.554 -6.122 10.445 1.00 53.23 C ATOM 1898 O LEU A 113 -1.589 -5.493 11.508 1.00 41.21 O ATOM 1899 CB LEU A 113 -0.763 -4.330 8.977 1.00 41.42 C ATOM 1900 CG LEU A 113 -0.003 -3.745 7.786 1.00 43.42 C ATOM 1901 CD1 LEU A 113 -0.574 -4.265 6.473 1.00 64.01 C ATOM 1902 CD2 LEU A 113 -0.041 -2.224 7.834 1.00 11.55 C ATOM 0 H LEU A 113 -1.365 -6.513 7.583 1.00 3.22 H new ATOM 0 HA LEU A 113 0.495 -5.901 9.752 1.00 54.22 H new ATOM 0 HB2 LEU A 113 -1.827 -4.216 8.771 1.00 41.42 H new ATOM 0 HB3 LEU A 113 -0.537 -3.708 9.843 1.00 41.42 H new ATOM 0 HG LEU A 113 1.037 -4.064 7.846 1.00 43.42 H new ATOM 0 HD11 LEU A 113 -0.018 -3.836 5.639 1.00 64.01 H new ATOM 0 HD12 LEU A 113 -0.490 -5.351 6.444 1.00 64.01 H new ATOM 0 HD13 LEU A 113 -1.623 -3.980 6.394 1.00 64.01 H new ATOM 0 HD21 LEU A 113 0.504 -1.819 6.981 1.00 11.55 H new ATOM 0 HD22 LEU A 113 -1.076 -1.885 7.798 1.00 11.55 H new ATOM 0 HD23 LEU A 113 0.422 -1.877 8.758 1.00 11.55 H new ATOM 1914 N ARG A 114 -2.381 -7.105 10.138 1.00 61.42 N ATOM 1915 CA ARG A 114 -3.528 -7.457 10.936 1.00 11.00 C ATOM 1916 C ARG A 114 -4.532 -6.340 10.931 1.00 3.10 C ATOM 1917 O ARG A 114 -4.786 -5.675 11.935 1.00 22.41 O ATOM 1918 CB ARG A 114 -3.193 -7.996 12.325 1.00 63.24 C ATOM 1919 CG ARG A 114 -2.411 -9.284 12.254 1.00 21.15 C ATOM 1920 CD ARG A 114 -2.102 -9.840 13.615 1.00 12.10 C ATOM 1921 NE ARG A 114 -1.344 -11.085 13.509 1.00 74.13 N ATOM 1922 CZ ARG A 114 -1.229 -12.001 14.461 1.00 35.40 C ATOM 1923 NH1 ARG A 114 -1.814 -11.815 15.648 1.00 0.42 N ATOM 1924 NH2 ARG A 114 -0.525 -13.102 14.229 1.00 40.21 N ATOM 0 H ARG A 114 -2.267 -7.689 9.309 1.00 61.42 H new ATOM 0 HA ARG A 114 -3.998 -8.317 10.459 1.00 11.00 H new ATOM 0 HB2 ARG A 114 -2.617 -7.251 12.874 1.00 63.24 H new ATOM 0 HB3 ARG A 114 -4.115 -8.161 12.883 1.00 63.24 H new ATOM 0 HG2 ARG A 114 -2.978 -10.020 11.684 1.00 21.15 H new ATOM 0 HG3 ARG A 114 -1.480 -9.112 11.715 1.00 21.15 H new ATOM 0 HD2 ARG A 114 -1.532 -9.110 14.190 1.00 12.10 H new ATOM 0 HD3 ARG A 114 -3.030 -10.019 14.158 1.00 12.10 H new ATOM 0 HE ARG A 114 -0.863 -11.265 12.628 1.00 74.13 H new ATOM 0 HH11 ARG A 114 -2.351 -10.966 15.824 1.00 0.42 H new ATOM 0 HH12 ARG A 114 -1.723 -12.522 16.378 1.00 0.42 H new ATOM 0 HH21 ARG A 114 -0.077 -13.239 13.323 1.00 40.21 H new ATOM 0 HH22 ARG A 114 -0.432 -13.811 14.957 1.00 40.21 H new ATOM 1938 N LEU A 115 -5.008 -6.072 9.739 1.00 13.33 N ATOM 1939 CA LEU A 115 -5.985 -5.052 9.495 1.00 3.12 C ATOM 1940 C LEU A 115 -7.316 -5.741 9.528 1.00 3.30 C ATOM 1941 O LEU A 115 -7.488 -6.772 8.881 1.00 20.24 O ATOM 1942 CB LEU A 115 -5.791 -4.439 8.086 1.00 41.31 C ATOM 1943 CG LEU A 115 -4.408 -3.920 7.721 1.00 41.34 C ATOM 1944 CD1 LEU A 115 -4.395 -3.438 6.275 1.00 32.32 C ATOM 1945 CD2 LEU A 115 -3.977 -2.819 8.659 1.00 24.12 C ATOM 0 H LEU A 115 -4.718 -6.570 8.898 1.00 13.33 H new ATOM 0 HA LEU A 115 -5.902 -4.254 10.233 1.00 3.12 H new ATOM 0 HB2 LEU A 115 -6.070 -5.194 7.351 1.00 41.31 H new ATOM 0 HB3 LEU A 115 -6.497 -3.615 7.979 1.00 41.31 H new ATOM 0 HG LEU A 115 -3.694 -4.738 7.822 1.00 41.34 H new ATOM 0 HD11 LEU A 115 -3.401 -3.069 6.024 1.00 32.32 H new ATOM 0 HD12 LEU A 115 -4.653 -4.265 5.613 1.00 32.32 H new ATOM 0 HD13 LEU A 115 -5.122 -2.635 6.153 1.00 32.32 H new ATOM 0 HD21 LEU A 115 -2.985 -2.467 8.375 1.00 24.12 H new ATOM 0 HD22 LEU A 115 -4.686 -1.993 8.601 1.00 24.12 H new ATOM 0 HD23 LEU A 115 -3.948 -3.201 9.679 1.00 24.12 H new ATOM 1957 N ARG A 116 -8.227 -5.245 10.275 1.00 24.44 N ATOM 1958 CA ARG A 116 -9.515 -5.870 10.324 1.00 12.14 C ATOM 1959 C ARG A 116 -10.447 -5.186 9.343 1.00 24.50 C ATOM 1960 O ARG A 116 -10.136 -4.097 8.848 1.00 12.01 O ATOM 1961 CB ARG A 116 -10.062 -5.886 11.750 1.00 73.11 C ATOM 1962 CG ARG A 116 -9.105 -6.569 12.727 1.00 43.03 C ATOM 1963 CD ARG A 116 -9.663 -6.646 14.129 1.00 3.32 C ATOM 1964 NE ARG A 116 -10.804 -7.567 14.237 1.00 52.45 N ATOM 1965 CZ ARG A 116 -11.629 -7.626 15.291 1.00 61.23 C ATOM 1966 NH1 ARG A 116 -11.468 -6.790 16.307 1.00 55.44 N ATOM 1967 NH2 ARG A 116 -12.612 -8.517 15.323 1.00 54.34 N ATOM 0 H ARG A 116 -8.119 -4.417 10.860 1.00 24.44 H new ATOM 0 HA ARG A 116 -9.427 -6.914 10.024 1.00 12.14 H new ATOM 0 HB2 ARG A 116 -10.245 -4.863 12.079 1.00 73.11 H new ATOM 0 HB3 ARG A 116 -11.022 -6.402 11.763 1.00 73.11 H new ATOM 0 HG2 ARG A 116 -8.886 -7.576 12.371 1.00 43.03 H new ATOM 0 HG3 ARG A 116 -8.161 -6.025 12.745 1.00 43.03 H new ATOM 0 HD2 ARG A 116 -8.876 -6.968 14.811 1.00 3.32 H new ATOM 0 HD3 ARG A 116 -9.974 -5.651 14.447 1.00 3.32 H new ATOM 0 HE ARG A 116 -10.979 -8.203 13.459 1.00 52.45 H new ATOM 0 HH11 ARG A 116 -10.716 -6.101 16.287 1.00 55.44 H new ATOM 0 HH12 ARG A 116 -12.096 -6.835 17.109 1.00 55.44 H new ATOM 0 HH21 ARG A 116 -12.742 -9.161 14.543 1.00 54.34 H new ATOM 0 HH22 ARG A 116 -13.237 -8.558 16.128 1.00 54.34 H new ATOM 1981 N HIS A 117 -11.557 -5.826 9.030 1.00 43.13 N ATOM 1982 CA HIS A 117 -12.514 -5.281 8.080 1.00 43.14 C ATOM 1983 C HIS A 117 -13.148 -4.021 8.613 1.00 73.40 C ATOM 1984 O HIS A 117 -14.000 -4.069 9.500 1.00 42.12 O ATOM 1985 CB HIS A 117 -13.581 -6.309 7.664 1.00 62.10 C ATOM 1986 CG HIS A 117 -13.050 -7.452 6.842 1.00 14.21 C ATOM 1987 ND1 HIS A 117 -12.851 -8.715 7.335 1.00 64.41 N ATOM 1988 CD2 HIS A 117 -12.699 -7.510 5.534 1.00 43.42 C ATOM 1989 CE1 HIS A 117 -12.404 -9.498 6.381 1.00 1.22 C ATOM 1990 NE2 HIS A 117 -12.302 -8.792 5.276 1.00 43.14 N ATOM 0 H HIS A 117 -11.822 -6.730 9.421 1.00 43.13 H new ATOM 0 HA HIS A 117 -11.956 -5.027 7.179 1.00 43.14 H new ATOM 0 HB2 HIS A 117 -14.052 -6.710 8.561 1.00 62.10 H new ATOM 0 HB3 HIS A 117 -14.359 -5.799 7.096 1.00 62.10 H new ATOM 0 HD2 HIS A 117 -12.728 -6.694 4.827 1.00 43.42 H new ATOM 0 HE1 HIS A 117 -12.161 -10.545 6.486 1.00 1.22 H new ATOM 0 HE2 HIS A 117 -11.980 -9.144 4.374 1.00 43.14 H new ATOM 1999 N PHE A 118 -12.686 -2.912 8.084 1.00 52.33 N ATOM 2000 CA PHE A 118 -13.124 -1.581 8.457 1.00 2.13 C ATOM 2001 C PHE A 118 -14.598 -1.377 8.119 1.00 41.44 C ATOM 2002 O PHE A 118 -14.961 -1.338 6.949 1.00 1.42 O ATOM 2003 CB PHE A 118 -12.300 -0.533 7.687 1.00 61.53 C ATOM 2004 CG PHE A 118 -10.809 -0.608 7.879 1.00 4.33 C ATOM 2005 CD1 PHE A 118 -10.200 0.023 8.946 1.00 2.55 C ATOM 2006 CD2 PHE A 118 -10.018 -1.312 6.979 1.00 35.10 C ATOM 2007 CE1 PHE A 118 -8.830 -0.043 9.114 1.00 24.51 C ATOM 2008 CE2 PHE A 118 -8.649 -1.380 7.143 1.00 73.33 C ATOM 2009 CZ PHE A 118 -8.055 -0.745 8.211 1.00 10.12 C ATOM 0 H PHE A 118 -11.970 -2.908 7.357 1.00 52.33 H new ATOM 0 HA PHE A 118 -12.983 -1.467 9.532 1.00 2.13 H new ATOM 0 HB2 PHE A 118 -12.517 -0.636 6.624 1.00 61.53 H new ATOM 0 HB3 PHE A 118 -12.637 0.459 7.986 1.00 61.53 H new ATOM 0 HD1 PHE A 118 -10.800 0.573 9.656 1.00 2.55 H new ATOM 0 HD2 PHE A 118 -10.480 -1.812 6.141 1.00 35.10 H new ATOM 0 HE1 PHE A 118 -8.365 0.455 9.952 1.00 24.51 H new ATOM 0 HE2 PHE A 118 -8.046 -1.930 6.436 1.00 73.33 H new ATOM 0 HZ PHE A 118 -6.984 -0.796 8.343 1.00 10.12 H new ATOM 2019 N PRO A 119 -15.471 -1.257 9.120 1.00 61.40 N ATOM 2020 CA PRO A 119 -16.887 -0.985 8.882 1.00 52.04 C ATOM 2021 C PRO A 119 -17.125 0.524 8.714 1.00 4.35 C ATOM 2022 O PRO A 119 -18.164 0.972 8.197 1.00 75.44 O ATOM 2023 CB PRO A 119 -17.544 -1.496 10.160 1.00 73.13 C ATOM 2024 CG PRO A 119 -16.519 -1.280 11.229 1.00 22.13 C ATOM 2025 CD PRO A 119 -15.167 -1.401 10.566 1.00 22.22 C ATOM 0 HA PRO A 119 -17.276 -1.452 7.977 1.00 52.04 H new ATOM 0 HB2 PRO A 119 -18.463 -0.952 10.377 1.00 73.13 H new ATOM 0 HB3 PRO A 119 -17.810 -2.550 10.074 1.00 73.13 H new ATOM 0 HG2 PRO A 119 -16.639 -0.298 11.687 1.00 22.13 H new ATOM 0 HG3 PRO A 119 -16.628 -2.018 12.024 1.00 22.13 H new ATOM 0 HD2 PRO A 119 -14.481 -0.627 10.910 1.00 22.22 H new ATOM 0 HD3 PRO A 119 -14.699 -2.361 10.783 1.00 22.22 H new ATOM 2033 N THR A 120 -16.146 1.281 9.139 1.00 64.10 N ATOM 2034 CA THR A 120 -16.166 2.702 9.103 1.00 52.31 C ATOM 2035 C THR A 120 -14.984 3.202 8.285 1.00 45.41 C ATOM 2036 O THR A 120 -14.079 2.420 7.946 1.00 55.22 O ATOM 2037 CB THR A 120 -16.066 3.260 10.545 1.00 73.21 C ATOM 2038 OG1 THR A 120 -14.924 2.673 11.215 1.00 41.43 O ATOM 2039 CG2 THR A 120 -17.328 2.961 11.343 1.00 34.54 C ATOM 0 H THR A 120 -15.286 0.900 9.532 1.00 64.10 H new ATOM 0 HA THR A 120 -17.097 3.040 8.648 1.00 52.31 H new ATOM 0 HB THR A 120 -15.948 4.342 10.482 1.00 73.21 H new ATOM 0 HG1 THR A 120 -14.861 3.028 12.126 1.00 41.43 H new ATOM 0 HG21 THR A 120 -17.226 3.365 12.350 1.00 34.54 H new ATOM 0 HG22 THR A 120 -18.186 3.421 10.852 1.00 34.54 H new ATOM 0 HG23 THR A 120 -17.476 1.883 11.398 1.00 34.54 H new ATOM 2047 N ASP A 121 -14.998 4.466 7.954 1.00 11.34 N ATOM 2048 CA ASP A 121 -13.889 5.087 7.255 1.00 14.45 C ATOM 2049 C ASP A 121 -12.853 5.555 8.273 1.00 3.31 C ATOM 2050 O ASP A 121 -13.175 6.346 9.169 1.00 22.20 O ATOM 2051 CB ASP A 121 -14.369 6.254 6.398 1.00 33.32 C ATOM 2052 CG ASP A 121 -13.224 6.997 5.754 1.00 22.04 C ATOM 2053 OD1 ASP A 121 -12.486 6.385 4.972 1.00 33.31 O ATOM 2054 OD2 ASP A 121 -13.044 8.200 6.057 1.00 75.11 O ATOM 0 H ASP A 121 -15.773 5.098 8.157 1.00 11.34 H new ATOM 0 HA ASP A 121 -13.434 4.355 6.587 1.00 14.45 H new ATOM 0 HB2 ASP A 121 -15.040 5.882 5.624 1.00 33.32 H new ATOM 0 HB3 ASP A 121 -14.946 6.943 7.015 1.00 33.32 H new ATOM 2059 N PRO A 122 -11.619 5.055 8.184 1.00 40.32 N ATOM 2060 CA PRO A 122 -10.574 5.377 9.141 1.00 53.44 C ATOM 2061 C PRO A 122 -9.725 6.613 8.785 1.00 5.14 C ATOM 2062 O PRO A 122 -8.909 7.060 9.604 1.00 43.14 O ATOM 2063 CB PRO A 122 -9.715 4.119 9.112 1.00 13.55 C ATOM 2064 CG PRO A 122 -9.805 3.641 7.697 1.00 62.33 C ATOM 2065 CD PRO A 122 -11.145 4.101 7.163 1.00 12.14 C ATOM 0 HA PRO A 122 -10.996 5.639 10.111 1.00 53.44 H new ATOM 0 HB2 PRO A 122 -8.684 4.335 9.394 1.00 13.55 H new ATOM 0 HB3 PRO A 122 -10.086 3.368 9.810 1.00 13.55 H new ATOM 0 HG2 PRO A 122 -8.990 4.049 7.099 1.00 62.33 H new ATOM 0 HG3 PRO A 122 -9.722 2.555 7.650 1.00 62.33 H new ATOM 0 HD2 PRO A 122 -11.046 4.576 6.187 1.00 12.14 H new ATOM 0 HD3 PRO A 122 -11.836 3.267 7.043 1.00 12.14 H new ATOM 2073 N LYS A 123 -9.896 7.170 7.595 1.00 32.21 N ATOM 2074 CA LYS A 123 -9.074 8.297 7.213 1.00 12.42 C ATOM 2075 C LYS A 123 -9.840 9.394 6.490 1.00 1.34 C ATOM 2076 O LYS A 123 -10.221 9.264 5.318 1.00 31.11 O ATOM 2077 CB LYS A 123 -7.853 7.853 6.410 1.00 12.25 C ATOM 2078 CG LYS A 123 -6.963 8.998 5.981 1.00 34.34 C ATOM 2079 CD LYS A 123 -5.746 8.504 5.254 1.00 4.41 C ATOM 2080 CE LYS A 123 -4.888 9.651 4.754 1.00 71.15 C ATOM 2081 NZ LYS A 123 -5.584 10.451 3.730 1.00 61.34 N ATOM 0 H LYS A 123 -10.577 6.868 6.898 1.00 32.21 H new ATOM 0 HA LYS A 123 -8.728 8.739 8.147 1.00 12.42 H new ATOM 0 HB2 LYS A 123 -7.269 7.154 7.009 1.00 12.25 H new ATOM 0 HB3 LYS A 123 -8.187 7.312 5.525 1.00 12.25 H new ATOM 0 HG2 LYS A 123 -7.524 9.675 5.336 1.00 34.34 H new ATOM 0 HG3 LYS A 123 -6.658 9.571 6.856 1.00 34.34 H new ATOM 0 HD2 LYS A 123 -5.157 7.871 5.918 1.00 4.41 H new ATOM 0 HD3 LYS A 123 -6.052 7.884 4.411 1.00 4.41 H new ATOM 0 HE2 LYS A 123 -4.615 10.292 5.592 1.00 71.15 H new ATOM 0 HE3 LYS A 123 -3.961 9.257 4.339 1.00 71.15 H new ATOM 0 HZ1 LYS A 123 -4.884 10.938 3.135 1.00 61.34 H new ATOM 0 HZ2 LYS A 123 -6.166 9.825 3.137 1.00 61.34 H new ATOM 0 HZ3 LYS A 123 -6.193 11.154 4.194 1.00 61.34 H new ATOM 2095 N ALA A 124 -10.032 10.478 7.181 1.00 34.14 N ATOM 2096 CA ALA A 124 -10.704 11.620 6.647 1.00 62.12 C ATOM 2097 C ALA A 124 -9.772 12.814 6.692 1.00 71.31 C ATOM 2098 O ALA A 124 -9.481 13.351 7.762 1.00 42.22 O ATOM 2099 CB ALA A 124 -11.967 11.894 7.427 1.00 11.13 C ATOM 0 H ALA A 124 -9.721 10.593 8.145 1.00 34.14 H new ATOM 0 HA ALA A 124 -10.984 11.429 5.611 1.00 62.12 H new ATOM 0 HB1 ALA A 124 -12.470 12.767 7.010 1.00 11.13 H new ATOM 0 HB2 ALA A 124 -12.628 11.030 7.364 1.00 11.13 H new ATOM 0 HB3 ALA A 124 -11.716 12.084 8.471 1.00 11.13 H new ATOM 2105 N SER A 125 -9.284 13.199 5.541 1.00 44.51 N ATOM 2106 CA SER A 125 -8.378 14.306 5.406 1.00 1.42 C ATOM 2107 C SER A 125 -8.421 14.812 3.968 1.00 71.25 C ATOM 2108 O SER A 125 -8.622 14.021 3.041 1.00 54.12 O ATOM 2109 CB SER A 125 -6.960 13.842 5.772 1.00 51.42 C ATOM 2110 OG SER A 125 -6.597 12.714 4.990 1.00 23.42 O ATOM 0 H SER A 125 -9.510 12.743 4.657 1.00 44.51 H new ATOM 0 HA SER A 125 -8.667 15.117 6.075 1.00 1.42 H new ATOM 0 HB2 SER A 125 -6.250 14.652 5.606 1.00 51.42 H new ATOM 0 HB3 SER A 125 -6.914 13.589 6.831 1.00 51.42 H new ATOM 0 HG SER A 125 -7.123 12.706 4.163 1.00 23.42 H new ATOM 2116 N ASN A 126 -8.262 16.093 3.776 1.00 1.22 N ATOM 2117 CA ASN A 126 -8.276 16.662 2.437 1.00 24.32 C ATOM 2118 C ASN A 126 -7.028 17.497 2.268 1.00 12.32 C ATOM 2119 O ASN A 126 -6.733 18.358 3.106 1.00 14.21 O ATOM 2120 CB ASN A 126 -9.530 17.543 2.239 1.00 33.52 C ATOM 2121 CG ASN A 126 -9.719 18.068 0.806 1.00 1.14 C ATOM 2122 OD1 ASN A 126 -8.772 18.243 0.041 1.00 63.21 O ATOM 2123 ND2 ASN A 126 -10.945 18.343 0.454 1.00 32.44 N ATOM 0 H ASN A 126 -8.120 16.771 4.524 1.00 1.22 H new ATOM 0 HA ASN A 126 -8.302 15.864 1.695 1.00 24.32 H new ATOM 0 HB2 ASN A 126 -10.412 16.967 2.521 1.00 33.52 H new ATOM 0 HB3 ASN A 126 -9.473 18.393 2.919 1.00 33.52 H new ATOM 0 HD21 ASN A 126 -11.138 18.713 -0.477 1.00 32.44 H new ATOM 0 HD22 ASN A 126 -11.711 18.188 1.110 1.00 32.44 H new ATOM 2130 N TRP A 127 -6.284 17.239 1.226 1.00 52.13 N ATOM 2131 CA TRP A 127 -5.092 17.985 0.963 1.00 42.21 C ATOM 2132 C TRP A 127 -5.424 19.130 0.003 1.00 43.20 C ATOM 2133 O TRP A 127 -5.574 18.932 -1.214 1.00 32.23 O ATOM 2134 CB TRP A 127 -3.993 17.063 0.404 1.00 61.14 C ATOM 2135 CG TRP A 127 -2.643 17.713 0.245 1.00 63.32 C ATOM 2136 CD1 TRP A 127 -2.106 18.224 -0.898 1.00 62.11 C ATOM 2137 CD2 TRP A 127 -1.661 17.908 1.271 1.00 53.40 C ATOM 2138 NE1 TRP A 127 -0.851 18.722 -0.649 1.00 13.32 N ATOM 2139 CE2 TRP A 127 -0.556 18.540 0.675 1.00 11.24 C ATOM 2140 CE3 TRP A 127 -1.611 17.607 2.634 1.00 11.13 C ATOM 2141 CZ2 TRP A 127 0.587 18.877 1.396 1.00 30.22 C ATOM 2142 CZ3 TRP A 127 -0.478 17.942 3.348 1.00 63.31 C ATOM 2143 CH2 TRP A 127 0.606 18.569 2.728 1.00 70.33 C ATOM 0 H TRP A 127 -6.489 16.510 0.542 1.00 52.13 H new ATOM 0 HA TRP A 127 -4.706 18.412 1.889 1.00 42.21 H new ATOM 0 HB2 TRP A 127 -3.890 16.202 1.064 1.00 61.14 H new ATOM 0 HB3 TRP A 127 -4.315 16.684 -0.566 1.00 61.14 H new ATOM 0 HD1 TRP A 127 -2.596 18.236 -1.860 1.00 62.11 H new ATOM 0 HE1 TRP A 127 -0.238 19.157 -1.339 1.00 13.32 H new ATOM 0 HE3 TRP A 127 -2.444 17.121 3.121 1.00 11.13 H new ATOM 0 HZ2 TRP A 127 1.426 19.363 0.921 1.00 30.22 H new ATOM 0 HZ3 TRP A 127 -0.429 17.716 4.403 1.00 63.31 H new ATOM 0 HH2 TRP A 127 1.479 18.816 3.314 1.00 70.33 H new ATOM 2154 N GLY A 128 -5.611 20.292 0.562 1.00 52.40 N ATOM 2155 CA GLY A 128 -5.931 21.449 -0.207 1.00 61.34 C ATOM 2156 C GLY A 128 -6.780 22.393 0.586 1.00 33.42 C ATOM 2157 O GLY A 128 -6.216 23.254 1.286 1.00 37.60 O ATOM 2158 OXT GLY A 128 -8.016 22.283 0.533 1.00 37.60 O ATOM 0 H GLY A 128 -5.544 20.458 1.566 1.00 52.40 H new ATOM 0 HA2 GLY A 128 -5.014 21.950 -0.518 1.00 61.34 H new ATOM 0 HA3 GLY A 128 -6.457 21.154 -1.115 1.00 61.34 H new TER 2162 GLY A 128