USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 869 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 119 GLN : amide:sc= 0.268 K(o=0.045,f=-0.62) USER MOD Set 1.2: A 123 THR OG1 : rot 83:sc= -0.223 USER MOD Set 2.1: A 98 TYR OH : rot 130:sc= -0.478 USER MOD Set 2.2: A 134 LYS NZ :NH3+ -120:sc= 0.696 (180deg=-0.327) USER MOD Set 3.1: A 61 CYS SG : rot -97:sc= -5.82! USER MOD Set 3.2: A 65 ASN : amide:sc= -1.54 K(o=-7.4,f=-12!) USER MOD Set 4.1: A 55 LYS NZ :NH3+ 145:sc= 0.396 (180deg=0) USER MOD Set 4.2: A 114 ASN :FLIP amide:sc= -0.189 F(o=-2.2,f=0.21) USER MOD Set 5.1: A 30 THR OG1 : rot -56:sc= 1.27 USER MOD Set 5.2: A 121 GLN :FLIP amide:sc= -1.66! C(o=-2.1!,f=-0.38!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.23) USER MOD Single : A 33 GLN : amide:sc= -0.0817 X(o=-0.082,f=-0.082) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 49 ASN : amide:sc=-0.00302 X(o=-0.003,f=0) USER MOD Single : A 51 MET CE :methyl -168:sc= -1.97 (180deg=-2.38) USER MOD Single : A 66 LYS NZ :NH3+ -169:sc= -1.57 (180deg=-1.76) USER MOD Single : A 68 GLN :FLIP amide:sc=-0.00705 F(o=-4.2!,f=-0.007) USER MOD Single : A 71 SER OG : rot 74:sc= -3.8! USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS :FLIP no HD1:sc= -2.97! C(o=-5.5!,f=-3!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -0.949 K(o=-0.95,f=-8.7!) USER MOD Single : A 90 ASN : amide:sc= -1.91 K(o=-1.9,f=-5.8!) USER MOD Single : A 96 LYS NZ :NH3+ -146:sc= -4.75! (180deg=-6.87!) USER MOD Single : A 97 HIS : no HD1:sc= -1.25 K(o=-1.2,f=-3!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 ASN : amide:sc= -1.9 K(o=-1.9,f=-5.3!) USER MOD Single : A 115 THR OG1 : rot 142:sc= -0.531 USER MOD Single : A 116 ASN : amide:sc= -0.94 K(o=-0.94,f=-3.6) USER MOD Single : A 117 HIS : no HE2:sc= -0.205 K(o=-0.21,f=-1.9!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 74:sc= 0.628 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -4.65! C(o=-4.7!,f=-5!) USER MOD Single : A 132 LYS NZ :NH3+ 145:sc= -3.67! (180deg=-6.36!) USER MOD Single : A 133 THR OG1 : rot -61:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 27 -12.775 -7.355 -8.403 1.00 0.00 N ATOM 2 CA MET A 27 -13.898 -7.519 -9.363 1.00 0.00 C ATOM 3 C MET A 27 -13.554 -6.944 -10.740 1.00 0.00 C ATOM 4 O MET A 27 -13.764 -7.605 -11.757 1.00 0.00 O ATOM 5 CB MET A 27 -15.140 -6.828 -8.790 1.00 0.00 C ATOM 6 CG MET A 27 -16.364 -6.938 -9.683 1.00 0.00 C ATOM 7 SD MET A 27 -17.808 -6.113 -8.988 1.00 0.00 S ATOM 8 CE MET A 27 -19.025 -6.430 -10.264 1.00 0.00 C ATOM 0 HA MET A 27 -14.091 -8.583 -9.500 1.00 0.00 H new ATOM 0 HB2 MET A 27 -15.370 -7.262 -7.817 1.00 0.00 H new ATOM 0 HB3 MET A 27 -14.915 -5.774 -8.624 1.00 0.00 H new ATOM 0 HG2 MET A 27 -16.138 -6.506 -10.658 1.00 0.00 H new ATOM 0 HG3 MET A 27 -16.596 -7.990 -9.847 1.00 0.00 H new ATOM 0 HE1 MET A 27 -19.976 -5.981 -9.979 1.00 0.00 H new ATOM 0 HE2 MET A 27 -18.686 -5.997 -11.205 1.00 0.00 H new ATOM 0 HE3 MET A 27 -19.154 -7.506 -10.385 1.00 0.00 H new ATOM 20 N PRO A 28 -13.022 -5.704 -10.804 1.00 0.00 N ATOM 21 CA PRO A 28 -12.662 -5.073 -12.078 1.00 0.00 C ATOM 22 C PRO A 28 -11.624 -5.882 -12.848 1.00 0.00 C ATOM 23 O PRO A 28 -11.774 -6.122 -14.047 1.00 0.00 O ATOM 24 CB PRO A 28 -12.079 -3.715 -11.667 1.00 0.00 C ATOM 25 CG PRO A 28 -12.593 -3.471 -10.290 1.00 0.00 C ATOM 26 CD PRO A 28 -12.731 -4.824 -9.656 1.00 0.00 C ATOM 0 HA PRO A 28 -13.521 -4.993 -12.744 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.989 -3.733 -11.683 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.395 -2.927 -12.351 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.907 -2.842 -9.723 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.552 -2.953 -10.317 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.818 -5.123 -9.141 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -13.534 -4.844 -8.919 1.00 0.00 H new ATOM 34 N GLN A 29 -10.573 -6.303 -12.148 1.00 0.00 N ATOM 35 CA GLN A 29 -9.505 -7.089 -12.758 1.00 0.00 C ATOM 36 C GLN A 29 -8.500 -7.525 -11.687 1.00 0.00 C ATOM 37 O GLN A 29 -8.897 -7.967 -10.608 1.00 0.00 O ATOM 38 CB GLN A 29 -8.817 -6.273 -13.862 1.00 0.00 C ATOM 39 CG GLN A 29 -7.944 -7.101 -14.793 1.00 0.00 C ATOM 40 CD GLN A 29 -8.714 -8.201 -15.495 1.00 0.00 C ATOM 41 OE1 GLN A 29 -9.684 -7.939 -16.206 1.00 0.00 O ATOM 42 NE2 GLN A 29 -8.281 -9.440 -15.302 1.00 0.00 N ATOM 0 H GLN A 29 -10.439 -6.112 -11.155 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.930 -7.984 -13.212 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.580 -5.765 -14.452 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.204 -5.499 -13.399 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.493 -6.446 -15.539 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.128 -7.543 -14.221 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.472 -9.610 -14.704 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.757 -10.222 -15.752 1.00 0.00 H new ATOM 51 N THR A 30 -7.204 -7.396 -11.979 1.00 0.00 N ATOM 52 CA THR A 30 -6.164 -7.778 -11.030 1.00 0.00 C ATOM 53 C THR A 30 -4.774 -7.555 -11.623 1.00 0.00 C ATOM 54 O THR A 30 -3.857 -8.346 -11.400 1.00 0.00 O ATOM 55 CB THR A 30 -6.300 -9.255 -10.606 1.00 0.00 C ATOM 56 OG1 THR A 30 -5.273 -9.597 -9.668 1.00 0.00 O ATOM 57 CG2 THR A 30 -6.220 -10.177 -11.814 1.00 0.00 C ATOM 0 H THR A 30 -6.853 -7.030 -12.864 1.00 0.00 H new ATOM 0 HA THR A 30 -6.289 -7.146 -10.151 1.00 0.00 H new ATOM 0 HB THR A 30 -7.275 -9.383 -10.136 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.396 -9.396 -10.056 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.318 -11.213 -11.488 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.025 -9.937 -12.509 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.259 -10.043 -12.311 1.00 0.00 H new ATOM 65 N GLU A 31 -4.625 -6.468 -12.377 1.00 0.00 N ATOM 66 CA GLU A 31 -3.348 -6.138 -13.000 1.00 0.00 C ATOM 67 C GLU A 31 -3.426 -4.805 -13.736 1.00 0.00 C ATOM 68 O GLU A 31 -2.626 -3.901 -13.492 1.00 0.00 O ATOM 69 CB GLU A 31 -2.934 -7.243 -13.977 1.00 0.00 C ATOM 70 CG GLU A 31 -1.594 -6.994 -14.655 1.00 0.00 C ATOM 71 CD GLU A 31 -0.432 -7.003 -13.680 1.00 0.00 C ATOM 72 OE1 GLU A 31 -0.662 -7.261 -12.480 1.00 0.00 O ATOM 73 OE2 GLU A 31 0.712 -6.760 -14.120 1.00 0.00 O ATOM 0 H GLU A 31 -5.373 -5.802 -12.570 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.601 -6.055 -12.211 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.889 -8.191 -13.441 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.704 -7.346 -14.742 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.430 -7.757 -15.416 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.625 -6.033 -15.168 1.00 0.00 H new ATOM 80 N ARG A 32 -4.393 -4.689 -14.641 1.00 0.00 N ATOM 81 CA ARG A 32 -4.575 -3.468 -15.418 1.00 0.00 C ATOM 82 C ARG A 32 -5.259 -2.383 -14.590 1.00 0.00 C ATOM 83 O ARG A 32 -4.840 -1.227 -14.596 1.00 0.00 O ATOM 84 CB ARG A 32 -5.397 -3.759 -16.675 1.00 0.00 C ATOM 85 CG ARG A 32 -5.626 -2.538 -17.550 1.00 0.00 C ATOM 86 CD ARG A 32 -6.448 -2.881 -18.782 1.00 0.00 C ATOM 87 NE ARG A 32 -6.679 -1.714 -19.630 1.00 0.00 N ATOM 88 CZ ARG A 32 -7.371 -1.752 -20.765 1.00 0.00 C ATOM 89 NH1 ARG A 32 -7.897 -2.893 -21.187 1.00 0.00 N ATOM 90 NH2 ARG A 32 -7.537 -0.646 -21.478 1.00 0.00 N ATOM 0 H ARG A 32 -5.064 -5.427 -14.854 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.589 -3.105 -15.708 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.890 -4.525 -17.261 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.362 -4.170 -16.380 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.137 -1.767 -16.974 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.666 -2.123 -17.856 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.934 -3.651 -19.358 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.406 -3.300 -18.473 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.287 -0.820 -19.335 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.772 -3.745 -20.641 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.427 -2.919 -22.058 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.134 0.234 -21.156 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.068 -0.675 -22.349 1.00 0.00 H new ATOM 104 N GLN A 33 -6.319 -2.765 -13.886 1.00 0.00 N ATOM 105 CA GLN A 33 -7.070 -1.825 -13.061 1.00 0.00 C ATOM 106 C GLN A 33 -6.256 -1.359 -11.856 1.00 0.00 C ATOM 107 O GLN A 33 -6.302 -0.189 -11.485 1.00 0.00 O ATOM 108 CB GLN A 33 -8.378 -2.463 -12.590 1.00 0.00 C ATOM 109 CG GLN A 33 -9.309 -2.853 -13.726 1.00 0.00 C ATOM 110 CD GLN A 33 -9.724 -1.668 -14.575 1.00 0.00 C ATOM 111 OE1 GLN A 33 -10.326 -0.716 -14.078 1.00 0.00 O ATOM 112 NE2 GLN A 33 -9.403 -1.719 -15.862 1.00 0.00 N ATOM 0 H GLN A 33 -6.678 -3.720 -13.870 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.292 -0.952 -13.675 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.148 -3.350 -11.999 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.895 -1.766 -11.930 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.816 -3.592 -14.357 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.199 -3.329 -13.314 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.904 -2.528 -16.231 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.656 -0.949 -16.482 1.00 0.00 H new ATOM 121 N LEU A 34 -5.528 -2.284 -11.239 1.00 0.00 N ATOM 122 CA LEU A 34 -4.721 -1.966 -10.063 1.00 0.00 C ATOM 123 C LEU A 34 -3.672 -0.895 -10.362 1.00 0.00 C ATOM 124 O LEU A 34 -3.539 0.076 -9.616 1.00 0.00 O ATOM 125 CB LEU A 34 -4.027 -3.226 -9.537 1.00 0.00 C ATOM 126 CG LEU A 34 -4.962 -4.351 -9.081 1.00 0.00 C ATOM 127 CD1 LEU A 34 -4.154 -5.551 -8.606 1.00 0.00 C ATOM 128 CD2 LEU A 34 -5.891 -3.862 -7.981 1.00 0.00 C ATOM 0 H LEU A 34 -5.479 -3.260 -11.532 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.399 -1.574 -9.305 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.374 -3.614 -10.319 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.389 -2.945 -8.699 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.572 -4.659 -9.930 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.832 -6.342 -8.285 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.531 -5.916 -9.422 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.520 -5.255 -7.770 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.547 -4.675 -7.671 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.300 -3.527 -7.128 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.492 -3.033 -8.354 1.00 0.00 H new ATOM 140 N ARG A 35 -2.919 -1.084 -11.440 1.00 0.00 N ATOM 141 CA ARG A 35 -1.869 -0.138 -11.811 1.00 0.00 C ATOM 142 C ARG A 35 -2.437 1.242 -12.143 1.00 0.00 C ATOM 143 O ARG A 35 -1.964 2.253 -11.626 1.00 0.00 O ATOM 144 CB ARG A 35 -1.061 -0.676 -12.998 1.00 0.00 C ATOM 145 CG ARG A 35 -1.898 -0.959 -14.234 1.00 0.00 C ATOM 146 CD ARG A 35 -1.044 -1.490 -15.375 1.00 0.00 C ATOM 147 NE ARG A 35 -1.837 -1.767 -16.569 1.00 0.00 N ATOM 148 CZ ARG A 35 -1.325 -2.238 -17.702 1.00 0.00 C ATOM 149 NH1 ARG A 35 -0.025 -2.485 -17.795 1.00 0.00 N ATOM 150 NH2 ARG A 35 -2.113 -2.463 -18.745 1.00 0.00 N ATOM 0 H ARG A 35 -3.014 -1.880 -12.071 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.211 -0.026 -10.949 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.285 0.046 -13.254 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.556 -1.593 -12.695 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.674 -1.684 -13.991 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.403 -0.046 -14.550 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.268 -0.763 -15.616 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.539 -2.402 -15.056 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.841 -1.589 -16.532 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.585 -2.314 -16.996 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.364 -2.846 -18.666 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.113 -2.275 -18.679 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.719 -2.824 -19.614 1.00 0.00 H new ATOM 164 N VAL A 36 -3.444 1.282 -13.008 1.00 0.00 N ATOM 165 CA VAL A 36 -4.060 2.544 -13.407 1.00 0.00 C ATOM 166 C VAL A 36 -4.703 3.256 -12.219 1.00 0.00 C ATOM 167 O VAL A 36 -4.635 4.479 -12.103 1.00 0.00 O ATOM 168 CB VAL A 36 -5.126 2.326 -14.499 1.00 0.00 C ATOM 169 CG1 VAL A 36 -5.785 3.644 -14.880 1.00 0.00 C ATOM 170 CG2 VAL A 36 -4.510 1.660 -15.720 1.00 0.00 C ATOM 0 H VAL A 36 -3.852 0.456 -13.447 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.260 3.169 -13.804 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.895 1.665 -14.099 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.534 3.467 -15.652 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.264 4.078 -14.003 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.030 4.332 -15.259 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.277 1.514 -16.481 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.719 2.294 -16.120 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.092 0.694 -15.436 1.00 0.00 H new ATOM 180 N TRP A 37 -5.337 2.480 -11.349 1.00 0.00 N ATOM 181 CA TRP A 37 -6.012 3.025 -10.174 1.00 0.00 C ATOM 182 C TRP A 37 -5.049 3.753 -9.232 1.00 0.00 C ATOM 183 O TRP A 37 -5.116 4.973 -9.088 1.00 0.00 O ATOM 184 CB TRP A 37 -6.743 1.893 -9.430 1.00 0.00 C ATOM 185 CG TRP A 37 -6.862 2.095 -7.944 1.00 0.00 C ATOM 186 CD1 TRP A 37 -7.113 3.264 -7.280 1.00 0.00 C ATOM 187 CD2 TRP A 37 -6.731 1.085 -6.938 1.00 0.00 C ATOM 188 NE1 TRP A 37 -7.111 3.044 -5.926 1.00 0.00 N ATOM 189 CE2 TRP A 37 -6.894 1.714 -5.690 1.00 0.00 C ATOM 190 CE3 TRP A 37 -6.488 -0.290 -6.971 1.00 0.00 C ATOM 191 CZ2 TRP A 37 -6.820 1.017 -4.488 1.00 0.00 C ATOM 192 CZ3 TRP A 37 -6.418 -0.982 -5.778 1.00 0.00 C ATOM 193 CH2 TRP A 37 -6.584 -0.329 -4.551 1.00 0.00 C ATOM 0 H TRP A 37 -5.399 1.465 -11.434 1.00 0.00 H new ATOM 0 HA TRP A 37 -6.733 3.766 -10.518 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.743 1.786 -9.850 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -6.218 0.956 -9.615 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.287 4.220 -7.752 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -7.249 3.757 -5.210 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -6.357 -0.803 -7.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -6.944 1.520 -3.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -6.232 -2.046 -5.792 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -6.525 -0.899 -3.636 1.00 0.00 H new ATOM 204 N ILE A 38 -4.191 2.994 -8.560 1.00 0.00 N ATOM 205 CA ILE A 38 -3.255 3.560 -7.594 1.00 0.00 C ATOM 206 C ILE A 38 -2.290 4.562 -8.224 1.00 0.00 C ATOM 207 O ILE A 38 -2.166 5.691 -7.747 1.00 0.00 O ATOM 208 CB ILE A 38 -2.462 2.446 -6.891 1.00 0.00 C ATOM 209 CG1 ILE A 38 -3.410 1.541 -6.102 1.00 0.00 C ATOM 210 CG2 ILE A 38 -1.395 3.037 -5.979 1.00 0.00 C ATOM 211 CD1 ILE A 38 -2.743 0.305 -5.539 1.00 0.00 C ATOM 0 H ILE A 38 -4.124 1.982 -8.666 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.855 4.101 -6.862 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.960 1.845 -7.649 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.846 2.113 -5.283 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.231 1.236 -6.751 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.846 2.231 -5.492 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.706 3.641 -6.569 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.869 3.663 -5.222 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.477 -0.288 -4.993 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.331 -0.290 -6.354 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.940 0.600 -4.864 1.00 0.00 H new ATOM 223 N GLU A 39 -1.603 4.156 -9.288 1.00 0.00 N ATOM 224 CA GLU A 39 -0.653 5.043 -9.956 1.00 0.00 C ATOM 225 C GLU A 39 -1.345 6.310 -10.447 1.00 0.00 C ATOM 226 O GLU A 39 -0.828 7.415 -10.285 1.00 0.00 O ATOM 227 CB GLU A 39 0.024 4.325 -11.126 1.00 0.00 C ATOM 228 CG GLU A 39 0.866 3.132 -10.702 1.00 0.00 C ATOM 229 CD GLU A 39 1.499 2.415 -11.878 1.00 0.00 C ATOM 230 OE1 GLU A 39 2.276 3.055 -12.616 1.00 0.00 O ATOM 231 OE2 GLU A 39 1.217 1.212 -12.060 1.00 0.00 O ATOM 0 H GLU A 39 -1.684 3.228 -9.704 1.00 0.00 H new ATOM 0 HA GLU A 39 0.110 5.326 -9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.740 3.989 -11.827 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.656 5.034 -11.660 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.649 3.468 -10.023 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.242 2.431 -10.147 1.00 0.00 H new ATOM 238 N GLY A 40 -2.519 6.140 -11.044 1.00 0.00 N ATOM 239 CA GLY A 40 -3.271 7.275 -11.548 1.00 0.00 C ATOM 240 C GLY A 40 -3.814 8.156 -10.438 1.00 0.00 C ATOM 241 O GLY A 40 -3.951 9.367 -10.610 1.00 0.00 O ATOM 0 H GLY A 40 -2.965 5.234 -11.189 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.630 7.870 -12.199 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.099 6.915 -12.159 1.00 0.00 H new ATOM 245 N ALA A 41 -4.134 7.543 -9.301 1.00 0.00 N ATOM 246 CA ALA A 41 -4.679 8.271 -8.160 1.00 0.00 C ATOM 247 C ALA A 41 -3.775 9.429 -7.750 1.00 0.00 C ATOM 248 O ALA A 41 -4.121 10.595 -7.937 1.00 0.00 O ATOM 249 CB ALA A 41 -4.881 7.325 -6.985 1.00 0.00 C ATOM 0 H ALA A 41 -4.025 6.541 -9.146 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.641 8.688 -8.459 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.288 7.878 -6.138 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.575 6.534 -7.270 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.924 6.884 -6.704 1.00 0.00 H new ATOM 255 N THR A 42 -2.617 9.098 -7.190 1.00 0.00 N ATOM 256 CA THR A 42 -1.663 10.110 -6.753 1.00 0.00 C ATOM 257 C THR A 42 -0.875 10.667 -7.931 1.00 0.00 C ATOM 258 O THR A 42 -0.777 11.882 -8.110 1.00 0.00 O ATOM 259 CB THR A 42 -0.676 9.535 -5.719 1.00 0.00 C ATOM 260 OG1 THR A 42 0.033 8.424 -6.282 1.00 0.00 O ATOM 261 CG2 THR A 42 -1.407 9.090 -4.462 1.00 0.00 C ATOM 0 H THR A 42 -2.316 8.137 -7.028 1.00 0.00 H new ATOM 0 HA THR A 42 -2.239 10.913 -6.293 1.00 0.00 H new ATOM 0 HB THR A 42 0.032 10.320 -5.451 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.659 8.066 -5.619 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.689 8.688 -3.747 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.921 9.943 -4.019 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.135 8.320 -4.718 1.00 0.00 H new ATOM 269 N GLY A 43 -0.306 9.767 -8.723 1.00 0.00 N ATOM 270 CA GLY A 43 0.481 10.167 -9.869 1.00 0.00 C ATOM 271 C GLY A 43 1.891 9.635 -9.770 1.00 0.00 C ATOM 272 O GLY A 43 2.854 10.334 -10.087 1.00 0.00 O ATOM 0 H GLY A 43 -0.378 8.758 -8.588 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.013 9.799 -10.782 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.503 11.255 -9.938 1.00 0.00 H new ATOM 276 N ARG A 44 2.008 8.394 -9.310 1.00 0.00 N ATOM 277 CA ARG A 44 3.306 7.760 -9.146 1.00 0.00 C ATOM 278 C ARG A 44 3.348 6.397 -9.819 1.00 0.00 C ATOM 279 O ARG A 44 2.506 5.536 -9.563 1.00 0.00 O ATOM 280 CB ARG A 44 3.627 7.606 -7.658 1.00 0.00 C ATOM 281 CG ARG A 44 3.619 8.918 -6.896 1.00 0.00 C ATOM 282 CD ARG A 44 4.565 9.911 -7.536 1.00 0.00 C ATOM 283 NE ARG A 44 4.529 11.215 -6.881 1.00 0.00 N ATOM 284 CZ ARG A 44 4.926 11.425 -5.629 1.00 0.00 C ATOM 285 NH1 ARG A 44 5.406 10.423 -4.905 1.00 0.00 N ATOM 286 NH2 ARG A 44 4.848 12.640 -5.102 1.00 0.00 N ATOM 0 H ARG A 44 1.216 7.808 -9.044 1.00 0.00 H new ATOM 0 HA ARG A 44 4.052 8.398 -9.621 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.902 6.929 -7.207 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.607 7.140 -7.553 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.609 9.329 -6.878 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.911 8.745 -5.860 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.581 9.517 -7.499 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.307 10.029 -8.588 1.00 0.00 H new ATOM 0 HE ARG A 44 4.179 12.011 -7.414 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.472 9.488 -5.308 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.710 10.587 -3.945 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.483 13.414 -5.657 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.153 12.800 -4.142 1.00 0.00 H new ATOM 300 N ARG A 45 4.347 6.204 -10.672 1.00 0.00 N ATOM 301 CA ARG A 45 4.520 4.943 -11.375 1.00 0.00 C ATOM 302 C ARG A 45 5.348 3.979 -10.535 1.00 0.00 C ATOM 303 O ARG A 45 6.383 4.356 -9.986 1.00 0.00 O ATOM 304 CB ARG A 45 5.204 5.182 -12.724 1.00 0.00 C ATOM 305 CG ARG A 45 4.462 6.158 -13.624 1.00 0.00 C ATOM 306 CD ARG A 45 3.076 5.648 -13.986 1.00 0.00 C ATOM 307 NE ARG A 45 2.359 6.579 -14.854 1.00 0.00 N ATOM 308 CZ ARG A 45 1.128 6.365 -15.306 1.00 0.00 C ATOM 309 NH1 ARG A 45 0.477 5.258 -14.974 1.00 0.00 N ATOM 310 NH2 ARG A 45 0.544 7.260 -16.092 1.00 0.00 N ATOM 0 H ARG A 45 5.051 6.909 -10.893 1.00 0.00 H new ATOM 0 HA ARG A 45 3.538 4.503 -11.549 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.212 5.558 -12.548 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.306 4.229 -13.243 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.375 7.122 -13.122 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.038 6.323 -14.534 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.164 4.682 -14.484 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.500 5.485 -13.075 1.00 0.00 H new ATOM 0 HE ARG A 45 2.830 7.441 -15.128 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.921 4.567 -14.369 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.468 5.098 -15.323 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.040 8.113 -16.350 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.401 7.095 -16.439 1.00 0.00 H new ATOM 324 N ILE A 46 4.892 2.735 -10.439 1.00 0.00 N ATOM 325 CA ILE A 46 5.601 1.723 -9.665 1.00 0.00 C ATOM 326 C ILE A 46 7.053 1.613 -10.124 1.00 0.00 C ATOM 327 O ILE A 46 7.964 1.451 -9.311 1.00 0.00 O ATOM 328 CB ILE A 46 4.917 0.346 -9.784 1.00 0.00 C ATOM 329 CG1 ILE A 46 3.504 0.404 -9.194 1.00 0.00 C ATOM 330 CG2 ILE A 46 5.746 -0.724 -9.087 1.00 0.00 C ATOM 331 CD1 ILE A 46 2.700 -0.857 -9.421 1.00 0.00 C ATOM 0 H ILE A 46 4.037 2.404 -10.886 1.00 0.00 H new ATOM 0 HA ILE A 46 5.577 2.034 -8.621 1.00 0.00 H new ATOM 0 HB ILE A 46 4.841 0.084 -10.839 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.574 0.592 -8.123 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.971 1.248 -9.632 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.248 -1.689 -9.181 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.732 -0.778 -9.548 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.852 -0.472 -8.032 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.711 -0.743 -8.976 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.598 -1.036 -10.491 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.210 -1.702 -8.959 1.00 0.00 H new ATOM 343 N GLY A 47 7.259 1.719 -11.434 1.00 0.00 N ATOM 344 CA GLY A 47 8.599 1.646 -11.990 1.00 0.00 C ATOM 345 C GLY A 47 9.101 0.227 -12.181 1.00 0.00 C ATOM 346 O GLY A 47 8.376 -0.636 -12.679 1.00 0.00 O ATOM 0 H GLY A 47 6.519 1.855 -12.123 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.613 2.160 -12.951 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.286 2.180 -11.333 1.00 0.00 H new ATOM 350 N ASP A 48 10.354 -0.005 -11.795 1.00 0.00 N ATOM 351 CA ASP A 48 10.981 -1.316 -11.933 1.00 0.00 C ATOM 352 C ASP A 48 10.126 -2.422 -11.319 1.00 0.00 C ATOM 353 O ASP A 48 9.476 -2.225 -10.293 1.00 0.00 O ATOM 354 CB ASP A 48 12.369 -1.311 -11.286 1.00 0.00 C ATOM 355 CG ASP A 48 12.335 -0.910 -9.823 1.00 0.00 C ATOM 356 OD1 ASP A 48 11.237 -0.603 -9.313 1.00 0.00 O ATOM 357 OD2 ASP A 48 13.410 -0.898 -9.187 1.00 0.00 O ATOM 0 H ASP A 48 10.958 0.705 -11.381 1.00 0.00 H new ATOM 0 HA ASP A 48 11.077 -1.521 -12.999 1.00 0.00 H new ATOM 0 HB2 ASP A 48 12.810 -2.304 -11.376 1.00 0.00 H new ATOM 0 HB3 ASP A 48 13.016 -0.624 -11.831 1.00 0.00 H new ATOM 362 N ASN A 49 10.137 -3.587 -11.964 1.00 0.00 N ATOM 363 CA ASN A 49 9.371 -4.736 -11.496 1.00 0.00 C ATOM 364 C ASN A 49 7.882 -4.403 -11.418 1.00 0.00 C ATOM 365 O ASN A 49 7.324 -3.805 -12.339 1.00 0.00 O ATOM 366 CB ASN A 49 9.890 -5.196 -10.132 1.00 0.00 C ATOM 367 CG ASN A 49 11.349 -5.598 -10.172 1.00 0.00 C ATOM 368 OD1 ASN A 49 11.740 -6.486 -10.930 1.00 0.00 O ATOM 369 ND2 ASN A 49 12.162 -4.948 -9.352 1.00 0.00 N ATOM 0 H ASN A 49 10.671 -3.758 -12.816 1.00 0.00 H new ATOM 0 HA ASN A 49 9.498 -5.548 -12.212 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.758 -4.393 -9.407 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.293 -6.040 -9.786 1.00 0.00 H new ATOM 0 HD21 ASN A 49 13.156 -5.177 -9.332 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.794 -4.219 -8.741 1.00 0.00 H new ATOM 376 N PHE A 50 7.243 -4.790 -10.317 1.00 0.00 N ATOM 377 CA PHE A 50 5.821 -4.527 -10.129 1.00 0.00 C ATOM 378 C PHE A 50 5.432 -4.693 -8.665 1.00 0.00 C ATOM 379 O PHE A 50 4.860 -3.788 -8.064 1.00 0.00 O ATOM 380 CB PHE A 50 4.986 -5.467 -11.002 1.00 0.00 C ATOM 381 CG PHE A 50 3.504 -5.249 -10.878 1.00 0.00 C ATOM 382 CD1 PHE A 50 2.957 -3.987 -11.046 1.00 0.00 C ATOM 383 CD2 PHE A 50 2.658 -6.308 -10.589 1.00 0.00 C ATOM 384 CE1 PHE A 50 1.595 -3.785 -10.930 1.00 0.00 C ATOM 385 CE2 PHE A 50 1.295 -6.112 -10.473 1.00 0.00 C ATOM 386 CZ PHE A 50 0.763 -4.849 -10.642 1.00 0.00 C ATOM 0 H PHE A 50 7.687 -5.286 -9.544 1.00 0.00 H new ATOM 0 HA PHE A 50 5.622 -3.498 -10.427 1.00 0.00 H new ATOM 0 HB2 PHE A 50 5.278 -5.336 -12.044 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.216 -6.498 -10.734 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.603 -3.151 -11.270 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.069 -7.298 -10.453 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.182 -2.796 -11.064 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.646 -6.946 -10.250 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.302 -4.694 -10.549 1.00 0.00 H new ATOM 396 N MET A 51 5.751 -5.851 -8.096 1.00 0.00 N ATOM 397 CA MET A 51 5.439 -6.128 -6.698 1.00 0.00 C ATOM 398 C MET A 51 6.434 -5.427 -5.785 1.00 0.00 C ATOM 399 O MET A 51 6.058 -4.790 -4.801 1.00 0.00 O ATOM 400 CB MET A 51 5.480 -7.633 -6.438 1.00 0.00 C ATOM 401 CG MET A 51 4.775 -8.444 -7.507 1.00 0.00 C ATOM 402 SD MET A 51 3.018 -8.067 -7.627 1.00 0.00 S ATOM 403 CE MET A 51 2.465 -8.550 -5.997 1.00 0.00 C ATOM 0 H MET A 51 6.225 -6.613 -8.581 1.00 0.00 H new ATOM 0 HA MET A 51 4.437 -5.753 -6.487 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.519 -7.956 -6.373 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.021 -7.841 -5.472 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.249 -8.256 -8.470 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.900 -9.505 -7.292 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.376 -8.581 -5.977 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.861 -9.537 -5.756 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.821 -7.827 -5.263 1.00 0.00 H new ATOM 413 N ASP A 52 7.710 -5.557 -6.129 1.00 0.00 N ATOM 414 CA ASP A 52 8.786 -4.952 -5.364 1.00 0.00 C ATOM 415 C ASP A 52 8.583 -3.446 -5.215 1.00 0.00 C ATOM 416 O ASP A 52 8.992 -2.850 -4.219 1.00 0.00 O ATOM 417 CB ASP A 52 10.121 -5.233 -6.049 1.00 0.00 C ATOM 418 CG ASP A 52 10.407 -6.717 -6.174 1.00 0.00 C ATOM 419 OD1 ASP A 52 10.475 -7.399 -5.128 1.00 0.00 O ATOM 420 OD2 ASP A 52 10.562 -7.198 -7.316 1.00 0.00 O ATOM 0 H ASP A 52 8.024 -6.084 -6.944 1.00 0.00 H new ATOM 0 HA ASP A 52 8.785 -5.390 -4.366 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.119 -4.782 -7.041 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.923 -4.758 -5.484 1.00 0.00 H new ATOM 425 N GLY A 53 7.955 -2.834 -6.212 1.00 0.00 N ATOM 426 CA GLY A 53 7.715 -1.402 -6.169 1.00 0.00 C ATOM 427 C GLY A 53 6.845 -0.986 -4.997 1.00 0.00 C ATOM 428 O GLY A 53 7.124 0.010 -4.335 1.00 0.00 O ATOM 0 H GLY A 53 7.608 -3.302 -7.049 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.670 -0.880 -6.110 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.238 -1.090 -7.098 1.00 0.00 H new ATOM 432 N LEU A 54 5.785 -1.748 -4.748 1.00 0.00 N ATOM 433 CA LEU A 54 4.859 -1.461 -3.658 1.00 0.00 C ATOM 434 C LEU A 54 5.556 -1.522 -2.299 1.00 0.00 C ATOM 435 O LEU A 54 5.123 -0.882 -1.341 1.00 0.00 O ATOM 436 CB LEU A 54 3.697 -2.456 -3.689 1.00 0.00 C ATOM 437 CG LEU A 54 2.706 -2.298 -4.852 1.00 0.00 C ATOM 438 CD1 LEU A 54 1.831 -1.072 -4.652 1.00 0.00 C ATOM 439 CD2 LEU A 54 3.413 -2.231 -6.194 1.00 0.00 C ATOM 0 H LEU A 54 5.544 -2.577 -5.292 1.00 0.00 H new ATOM 0 HA LEU A 54 4.481 -0.448 -3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.109 -3.465 -3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.145 -2.369 -2.753 1.00 0.00 H new ATOM 0 HG LEU A 54 2.072 -3.185 -4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.137 -0.980 -5.488 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.269 -1.173 -3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.458 -0.182 -4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.675 -2.119 -6.989 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.091 -1.378 -6.206 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.981 -3.148 -6.352 1.00 0.00 H new ATOM 451 N LYS A 55 6.624 -2.312 -2.221 1.00 0.00 N ATOM 452 CA LYS A 55 7.374 -2.483 -0.979 1.00 0.00 C ATOM 453 C LYS A 55 7.750 -1.142 -0.349 1.00 0.00 C ATOM 454 O LYS A 55 7.698 -0.988 0.871 1.00 0.00 O ATOM 455 CB LYS A 55 8.644 -3.295 -1.237 1.00 0.00 C ATOM 456 CG LYS A 55 8.396 -4.596 -1.979 1.00 0.00 C ATOM 457 CD LYS A 55 9.698 -5.327 -2.268 1.00 0.00 C ATOM 458 CE LYS A 55 10.281 -5.943 -1.014 1.00 0.00 C ATOM 459 NZ LYS A 55 11.594 -6.597 -1.272 1.00 0.00 N ATOM 0 H LYS A 55 6.991 -2.847 -3.008 1.00 0.00 H new ATOM 0 HA LYS A 55 6.727 -3.015 -0.282 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.343 -2.687 -1.811 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.123 -3.516 -0.283 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.742 -5.236 -1.386 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.877 -4.390 -2.915 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.522 -6.107 -3.009 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.418 -4.632 -2.701 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.404 -5.171 -0.254 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.583 -6.677 -0.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.211 -6.476 -0.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.448 -7.611 -1.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.042 -6.161 -2.103 1.00 0.00 H new ATOM 473 N ASP A 56 8.146 -0.182 -1.180 1.00 0.00 N ATOM 474 CA ASP A 56 8.547 1.135 -0.689 1.00 0.00 C ATOM 475 C ASP A 56 7.471 1.754 0.202 1.00 0.00 C ATOM 476 O ASP A 56 7.777 2.514 1.120 1.00 0.00 O ATOM 477 CB ASP A 56 8.881 2.074 -1.854 1.00 0.00 C ATOM 478 CG ASP A 56 7.701 2.329 -2.775 1.00 0.00 C ATOM 479 OD1 ASP A 56 6.618 1.759 -2.534 1.00 0.00 O ATOM 480 OD2 ASP A 56 7.864 3.102 -3.743 1.00 0.00 O ATOM 0 H ASP A 56 8.198 -0.289 -2.193 1.00 0.00 H new ATOM 0 HA ASP A 56 9.444 0.998 -0.085 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.235 3.025 -1.456 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.700 1.647 -2.433 1.00 0.00 H new ATOM 485 N GLY A 57 6.214 1.427 -0.076 1.00 0.00 N ATOM 486 CA GLY A 57 5.116 1.962 0.708 1.00 0.00 C ATOM 487 C GLY A 57 5.030 3.472 0.620 1.00 0.00 C ATOM 488 O GLY A 57 4.749 4.146 1.610 1.00 0.00 O ATOM 0 H GLY A 57 5.935 0.800 -0.831 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.179 1.526 0.362 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.239 1.667 1.750 1.00 0.00 H new ATOM 492 N VAL A 58 5.265 4.001 -0.574 1.00 0.00 N ATOM 493 CA VAL A 58 5.209 5.436 -0.804 1.00 0.00 C ATOM 494 C VAL A 58 3.967 5.794 -1.600 1.00 0.00 C ATOM 495 O VAL A 58 3.162 6.618 -1.175 1.00 0.00 O ATOM 496 CB VAL A 58 6.446 5.935 -1.573 1.00 0.00 C ATOM 497 CG1 VAL A 58 6.418 7.451 -1.703 1.00 0.00 C ATOM 498 CG2 VAL A 58 7.723 5.478 -0.886 1.00 0.00 C ATOM 0 H VAL A 58 5.497 3.452 -1.402 1.00 0.00 H new ATOM 0 HA VAL A 58 5.182 5.918 0.173 1.00 0.00 H new ATOM 0 HB VAL A 58 6.425 5.505 -2.575 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.300 7.786 -2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.521 7.753 -2.243 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.413 7.901 -0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.586 5.840 -1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.753 5.877 0.128 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.746 4.389 -0.849 1.00 0.00 H new ATOM 508 N ILE A 59 3.814 5.159 -2.758 1.00 0.00 N ATOM 509 CA ILE A 59 2.664 5.406 -3.613 1.00 0.00 C ATOM 510 C ILE A 59 1.383 4.977 -2.910 1.00 0.00 C ATOM 511 O ILE A 59 0.391 5.706 -2.915 1.00 0.00 O ATOM 512 CB ILE A 59 2.787 4.668 -4.963 1.00 0.00 C ATOM 513 CG1 ILE A 59 4.123 5.011 -5.634 1.00 0.00 C ATOM 514 CG2 ILE A 59 1.616 5.026 -5.869 1.00 0.00 C ATOM 515 CD1 ILE A 59 4.270 4.468 -7.040 1.00 0.00 C ATOM 0 H ILE A 59 4.472 4.471 -3.123 1.00 0.00 H new ATOM 0 HA ILE A 59 2.630 6.477 -3.814 1.00 0.00 H new ATOM 0 HB ILE A 59 2.761 3.593 -4.782 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.235 6.095 -5.662 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.935 4.622 -5.020 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.715 4.499 -6.818 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.682 4.735 -5.388 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.612 6.101 -6.050 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.242 4.755 -7.441 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.193 3.381 -7.020 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.481 4.876 -7.672 1.00 0.00 H new ATOM 527 N LEU A 60 1.414 3.801 -2.286 1.00 0.00 N ATOM 528 CA LEU A 60 0.255 3.302 -1.558 1.00 0.00 C ATOM 529 C LEU A 60 -0.051 4.227 -0.394 1.00 0.00 C ATOM 530 O LEU A 60 -1.194 4.632 -0.189 1.00 0.00 O ATOM 531 CB LEU A 60 0.495 1.881 -1.048 1.00 0.00 C ATOM 532 CG LEU A 60 0.624 0.817 -2.137 1.00 0.00 C ATOM 533 CD1 LEU A 60 0.785 -0.561 -1.514 1.00 0.00 C ATOM 534 CD2 LEU A 60 -0.584 0.853 -3.064 1.00 0.00 C ATOM 0 H LEU A 60 2.224 3.182 -2.271 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.596 3.277 -2.239 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.404 1.876 -0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.326 1.605 -0.387 1.00 0.00 H new ATOM 0 HG LEU A 60 1.514 1.032 -2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.876 -1.308 -2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.681 -0.577 -0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.086 -0.786 -0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.475 0.089 -3.833 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.490 0.662 -2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.653 1.834 -3.534 1.00 0.00 H new ATOM 546 N CYS A 61 0.992 4.582 0.350 1.00 0.00 N ATOM 547 CA CYS A 61 0.852 5.491 1.474 1.00 0.00 C ATOM 548 C CYS A 61 0.195 6.781 1.003 1.00 0.00 C ATOM 549 O CYS A 61 -0.707 7.311 1.649 1.00 0.00 O ATOM 550 CB CYS A 61 2.224 5.781 2.086 1.00 0.00 C ATOM 551 SG CYS A 61 2.323 7.371 2.937 1.00 0.00 S ATOM 0 H CYS A 61 1.944 4.251 0.191 1.00 0.00 H new ATOM 0 HA CYS A 61 0.224 5.032 2.238 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.472 4.987 2.790 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.976 5.754 1.297 1.00 0.00 H new ATOM 0 HG CYS A 61 2.841 8.258 2.140 1.00 0.00 H new ATOM 557 N GLU A 62 0.648 7.260 -0.148 1.00 0.00 N ATOM 558 CA GLU A 62 0.115 8.470 -0.751 1.00 0.00 C ATOM 559 C GLU A 62 -1.327 8.253 -1.206 1.00 0.00 C ATOM 560 O GLU A 62 -2.146 9.172 -1.174 1.00 0.00 O ATOM 561 CB GLU A 62 0.995 8.881 -1.934 1.00 0.00 C ATOM 562 CG GLU A 62 2.368 9.380 -1.513 1.00 0.00 C ATOM 563 CD GLU A 62 3.176 9.927 -2.673 1.00 0.00 C ATOM 564 OE1 GLU A 62 2.669 9.910 -3.814 1.00 0.00 O ATOM 565 OE2 GLU A 62 4.319 10.374 -2.438 1.00 0.00 O ATOM 0 H GLU A 62 1.394 6.820 -0.687 1.00 0.00 H new ATOM 0 HA GLU A 62 0.118 9.269 -0.009 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.114 8.029 -2.603 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.489 9.663 -2.501 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.251 10.158 -0.759 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.919 8.564 -1.046 1.00 0.00 H new ATOM 572 N LEU A 63 -1.623 7.029 -1.633 1.00 0.00 N ATOM 573 CA LEU A 63 -2.950 6.669 -2.104 1.00 0.00 C ATOM 574 C LEU A 63 -3.982 6.730 -0.979 1.00 0.00 C ATOM 575 O LEU A 63 -5.019 7.378 -1.114 1.00 0.00 O ATOM 576 CB LEU A 63 -2.891 5.262 -2.708 1.00 0.00 C ATOM 577 CG LEU A 63 -4.209 4.682 -3.228 1.00 0.00 C ATOM 578 CD1 LEU A 63 -5.098 4.217 -2.082 1.00 0.00 C ATOM 579 CD2 LEU A 63 -4.941 5.694 -4.094 1.00 0.00 C ATOM 0 H LEU A 63 -0.950 6.263 -1.661 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.264 7.387 -2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.176 5.275 -3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.495 4.583 -1.952 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.969 3.814 -3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.026 3.810 -2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.581 3.446 -1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.324 5.061 -1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.874 5.259 -4.452 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.158 6.586 -3.507 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.316 5.963 -4.946 1.00 0.00 H new ATOM 591 N ILE A 64 -3.700 6.039 0.121 1.00 0.00 N ATOM 592 CA ILE A 64 -4.615 6.005 1.256 1.00 0.00 C ATOM 593 C ILE A 64 -4.880 7.402 1.806 1.00 0.00 C ATOM 594 O ILE A 64 -6.006 7.720 2.178 1.00 0.00 O ATOM 595 CB ILE A 64 -4.091 5.097 2.384 1.00 0.00 C ATOM 596 CG1 ILE A 64 -5.105 5.018 3.522 1.00 0.00 C ATOM 597 CG2 ILE A 64 -2.747 5.591 2.896 1.00 0.00 C ATOM 598 CD1 ILE A 64 -6.428 4.404 3.119 1.00 0.00 C ATOM 0 H ILE A 64 -2.846 5.496 0.250 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.553 5.592 0.884 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.951 4.095 1.978 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.678 4.434 4.337 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.283 6.022 3.908 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.397 4.934 3.692 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.024 5.590 2.080 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.855 6.604 3.283 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.096 4.382 3.980 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.879 4.999 2.325 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.263 3.388 2.761 1.00 0.00 H new ATOM 610 N ASN A 65 -3.848 8.241 1.853 1.00 0.00 N ATOM 611 CA ASN A 65 -4.008 9.600 2.357 1.00 0.00 C ATOM 612 C ASN A 65 -5.117 10.326 1.601 1.00 0.00 C ATOM 613 O ASN A 65 -5.765 11.223 2.140 1.00 0.00 O ATOM 614 CB ASN A 65 -2.698 10.386 2.252 1.00 0.00 C ATOM 615 CG ASN A 65 -1.663 9.927 3.261 1.00 0.00 C ATOM 616 OD1 ASN A 65 -1.940 9.852 4.458 1.00 0.00 O ATOM 617 ND2 ASN A 65 -0.456 9.637 2.788 1.00 0.00 N ATOM 0 H ASN A 65 -2.902 8.006 1.551 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.284 9.534 3.409 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.293 10.278 1.246 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.901 11.446 2.402 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.283 9.339 3.425 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.268 9.712 1.788 1.00 0.00 H new ATOM 624 N LYS A 66 -5.333 9.927 0.350 1.00 0.00 N ATOM 625 CA LYS A 66 -6.360 10.526 -0.479 1.00 0.00 C ATOM 626 C LYS A 66 -7.744 10.068 -0.037 1.00 0.00 C ATOM 627 O LYS A 66 -8.634 10.883 0.208 1.00 0.00 O ATOM 628 CB LYS A 66 -6.126 10.140 -1.937 1.00 0.00 C ATOM 629 CG LYS A 66 -4.791 10.589 -2.489 1.00 0.00 C ATOM 630 CD LYS A 66 -4.663 12.098 -2.461 1.00 0.00 C ATOM 631 CE LYS A 66 -3.327 12.541 -3.015 1.00 0.00 C ATOM 632 NZ LYS A 66 -3.175 12.186 -4.453 1.00 0.00 N ATOM 0 H LYS A 66 -4.803 9.186 -0.109 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.308 11.610 -0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.200 9.057 -2.031 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.922 10.568 -2.547 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.985 10.143 -1.906 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.680 10.231 -3.513 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.468 12.545 -3.044 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.773 12.457 -1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.224 13.619 -2.895 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.525 12.078 -2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.188 12.335 -4.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.430 11.188 -4.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.800 12.787 -5.027 1.00 0.00 H new ATOM 646 N LEU A 67 -7.914 8.754 0.061 1.00 0.00 N ATOM 647 CA LEU A 67 -9.185 8.173 0.473 1.00 0.00 C ATOM 648 C LEU A 67 -9.449 8.446 1.948 1.00 0.00 C ATOM 649 O LEU A 67 -10.451 9.066 2.308 1.00 0.00 O ATOM 650 CB LEU A 67 -9.175 6.664 0.216 1.00 0.00 C ATOM 651 CG LEU A 67 -8.804 6.253 -1.211 1.00 0.00 C ATOM 652 CD1 LEU A 67 -8.748 4.739 -1.330 1.00 0.00 C ATOM 653 CD2 LEU A 67 -9.793 6.833 -2.211 1.00 0.00 C ATOM 0 H LEU A 67 -7.185 8.070 -0.140 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.982 8.633 -0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.472 6.198 0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.162 6.265 0.448 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.816 6.653 -1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.483 4.464 -2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.998 4.347 -0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.723 4.318 -1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.511 6.529 -3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.794 6.465 -1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.783 7.921 -2.144 1.00 0.00 H new ATOM 665 N GLN A 68 -8.537 7.985 2.798 1.00 0.00 N ATOM 666 CA GLN A 68 -8.658 8.183 4.235 1.00 0.00 C ATOM 667 C GLN A 68 -7.868 9.415 4.674 1.00 0.00 C ATOM 668 O GLN A 68 -6.640 9.432 4.612 1.00 0.00 O ATOM 669 CB GLN A 68 -8.165 6.943 4.984 1.00 0.00 C ATOM 670 CG GLN A 68 -8.312 7.043 6.495 1.00 0.00 C ATOM 671 CD GLN A 68 -7.810 5.809 7.225 1.00 0.00 C ATOM 672 OE1 GLN A 68 -7.313 4.828 6.476 1.00 0.00 O flip ATOM 673 NE2 GLN A 68 -7.867 5.737 8.453 1.00 0.00 N flip ATOM 0 H GLN A 68 -7.704 7.470 2.513 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.709 8.343 4.475 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.718 6.072 4.631 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.116 6.775 4.740 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.765 7.916 6.850 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.362 7.202 6.742 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.255 6.511 8.992 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.526 4.903 8.931 1.00 0.00 H new ATOM 682 N PRO A 69 -8.573 10.468 5.114 1.00 0.00 N ATOM 683 CA PRO A 69 -7.950 11.717 5.557 1.00 0.00 C ATOM 684 C PRO A 69 -6.846 11.506 6.593 1.00 0.00 C ATOM 685 O PRO A 69 -7.061 10.871 7.625 1.00 0.00 O ATOM 686 CB PRO A 69 -9.113 12.481 6.188 1.00 0.00 C ATOM 687 CG PRO A 69 -10.327 11.963 5.514 1.00 0.00 C ATOM 688 CD PRO A 69 -10.041 10.526 5.193 1.00 0.00 C ATOM 0 HA PRO A 69 -7.462 12.232 4.729 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.157 12.313 7.264 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -9.007 13.555 6.037 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -11.200 12.052 6.160 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.542 12.530 4.608 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -10.426 9.860 5.965 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.504 10.227 4.253 1.00 0.00 H new ATOM 696 N GLY A 70 -5.671 12.069 6.315 1.00 0.00 N ATOM 697 CA GLY A 70 -4.547 11.965 7.233 1.00 0.00 C ATOM 698 C GLY A 70 -4.232 10.541 7.656 1.00 0.00 C ATOM 699 O GLY A 70 -4.153 10.251 8.850 1.00 0.00 O ATOM 0 H GLY A 70 -5.477 12.598 5.465 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.664 12.398 6.763 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.759 12.560 8.121 1.00 0.00 H new ATOM 703 N SER A 71 -4.043 9.651 6.687 1.00 0.00 N ATOM 704 CA SER A 71 -3.725 8.260 6.988 1.00 0.00 C ATOM 705 C SER A 71 -2.299 8.133 7.514 1.00 0.00 C ATOM 706 O SER A 71 -2.076 8.040 8.720 1.00 0.00 O ATOM 707 CB SER A 71 -3.900 7.391 5.744 1.00 0.00 C ATOM 708 OG SER A 71 -5.237 7.429 5.284 1.00 0.00 O ATOM 0 H SER A 71 -4.104 9.867 5.692 1.00 0.00 H new ATOM 0 HA SER A 71 -4.413 7.915 7.760 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.231 7.738 4.957 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.619 6.363 5.972 1.00 0.00 H new ATOM 0 HG SER A 71 -5.411 8.293 4.856 1.00 0.00 H new ATOM 714 N VAL A 72 -1.336 8.139 6.595 1.00 0.00 N ATOM 715 CA VAL A 72 0.071 8.032 6.961 1.00 0.00 C ATOM 716 C VAL A 72 0.667 9.413 7.218 1.00 0.00 C ATOM 717 O VAL A 72 0.551 10.311 6.384 1.00 0.00 O ATOM 718 CB VAL A 72 0.884 7.325 5.858 1.00 0.00 C ATOM 719 CG1 VAL A 72 2.336 7.154 6.280 1.00 0.00 C ATOM 720 CG2 VAL A 72 0.262 5.981 5.511 1.00 0.00 C ATOM 0 H VAL A 72 -1.506 8.217 5.592 1.00 0.00 H new ATOM 0 HA VAL A 72 0.125 7.438 7.873 1.00 0.00 H new ATOM 0 HB VAL A 72 0.863 7.952 4.966 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.889 6.653 5.486 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.778 8.132 6.468 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.383 6.554 7.189 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.851 5.498 4.731 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.246 5.348 6.398 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.757 6.133 5.155 1.00 0.00 H new ATOM 730 N GLN A 73 1.295 9.581 8.378 1.00 0.00 N ATOM 731 CA GLN A 73 1.897 10.860 8.739 1.00 0.00 C ATOM 732 C GLN A 73 3.390 10.890 8.421 1.00 0.00 C ATOM 733 O GLN A 73 4.135 9.985 8.797 1.00 0.00 O ATOM 734 CB GLN A 73 1.673 11.148 10.223 1.00 0.00 C ATOM 735 CG GLN A 73 2.269 10.096 11.140 1.00 0.00 C ATOM 736 CD GLN A 73 2.092 10.429 12.608 1.00 0.00 C ATOM 737 OE1 GLN A 73 2.568 11.459 13.084 1.00 0.00 O ATOM 738 NE2 GLN A 73 1.404 9.556 13.335 1.00 0.00 N ATOM 0 H GLN A 73 1.400 8.850 9.082 1.00 0.00 H new ATOM 0 HA GLN A 73 1.413 11.633 8.143 1.00 0.00 H new ATOM 0 HB2 GLN A 73 2.106 12.118 10.466 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.602 11.220 10.413 1.00 0.00 H new ATOM 0 HG2 GLN A 73 1.803 9.133 10.932 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.332 9.990 10.922 1.00 0.00 H new ATOM 0 HE21 GLN A 73 1.027 8.714 12.899 1.00 0.00 H new ATOM 0 HE22 GLN A 73 1.253 9.727 14.329 1.00 0.00 H new ATOM 747 N LYS A 74 3.818 11.951 7.738 1.00 0.00 N ATOM 748 CA LYS A 74 5.222 12.126 7.377 1.00 0.00 C ATOM 749 C LYS A 74 5.785 10.882 6.692 1.00 0.00 C ATOM 750 O LYS A 74 6.681 10.223 7.223 1.00 0.00 O ATOM 751 CB LYS A 74 6.049 12.464 8.621 1.00 0.00 C ATOM 752 CG LYS A 74 7.502 12.794 8.319 1.00 0.00 C ATOM 753 CD LYS A 74 8.278 13.112 9.586 1.00 0.00 C ATOM 754 CE LYS A 74 9.730 13.444 9.282 1.00 0.00 C ATOM 755 NZ LYS A 74 10.498 13.757 10.519 1.00 0.00 N ATOM 0 H LYS A 74 3.208 12.705 7.423 1.00 0.00 H new ATOM 0 HA LYS A 74 5.283 12.953 6.669 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.592 13.312 9.131 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.013 11.620 9.310 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.968 11.952 7.808 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.549 13.645 7.640 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.811 13.953 10.098 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.233 12.260 10.265 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.195 12.602 8.769 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.773 14.295 8.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.483 13.978 10.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 10.070 14.576 10.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.478 12.936 11.157 1.00 0.00 H new ATOM 769 N VAL A 75 5.257 10.561 5.514 1.00 0.00 N ATOM 770 CA VAL A 75 5.720 9.394 4.770 1.00 0.00 C ATOM 771 C VAL A 75 7.224 9.467 4.517 1.00 0.00 C ATOM 772 O VAL A 75 7.724 10.438 3.948 1.00 0.00 O ATOM 773 CB VAL A 75 4.981 9.249 3.422 1.00 0.00 C ATOM 774 CG1 VAL A 75 5.026 10.546 2.629 1.00 0.00 C ATOM 775 CG2 VAL A 75 5.562 8.098 2.614 1.00 0.00 C ATOM 0 H VAL A 75 4.513 11.089 5.057 1.00 0.00 H new ATOM 0 HA VAL A 75 5.501 8.520 5.383 1.00 0.00 H new ATOM 0 HB VAL A 75 3.935 9.025 3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.498 10.414 1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.549 11.340 3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.063 10.815 2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.028 8.012 1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.618 8.287 2.419 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.457 7.170 3.176 1.00 0.00 H new ATOM 785 N ASN A 76 7.939 8.433 4.949 1.00 0.00 N ATOM 786 CA ASN A 76 9.387 8.374 4.779 1.00 0.00 C ATOM 787 C ASN A 76 9.762 7.895 3.380 1.00 0.00 C ATOM 788 O ASN A 76 9.171 6.951 2.857 1.00 0.00 O ATOM 789 CB ASN A 76 10.011 7.442 5.818 1.00 0.00 C ATOM 790 CG ASN A 76 9.701 7.859 7.241 1.00 0.00 C ATOM 791 OD1 ASN A 76 10.001 8.980 7.653 1.00 0.00 O ATOM 792 ND2 ASN A 76 9.104 6.951 8.004 1.00 0.00 N ATOM 0 H ASN A 76 7.538 7.622 5.421 1.00 0.00 H new ATOM 0 HA ASN A 76 9.774 9.384 4.917 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.648 6.427 5.654 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.092 7.420 5.678 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.876 7.170 8.974 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.874 6.034 7.620 1.00 0.00 H new ATOM 799 N ASP A 77 10.760 8.540 2.789 1.00 0.00 N ATOM 800 CA ASP A 77 11.230 8.165 1.462 1.00 0.00 C ATOM 801 C ASP A 77 11.901 6.794 1.514 1.00 0.00 C ATOM 802 O ASP A 77 12.486 6.428 2.533 1.00 0.00 O ATOM 803 CB ASP A 77 12.211 9.211 0.928 1.00 0.00 C ATOM 804 CG ASP A 77 11.584 10.587 0.803 1.00 0.00 C ATOM 805 OD1 ASP A 77 10.385 10.725 1.125 1.00 0.00 O ATOM 806 OD2 ASP A 77 12.291 11.525 0.381 1.00 0.00 O ATOM 0 H ASP A 77 11.259 9.325 3.208 1.00 0.00 H new ATOM 0 HA ASP A 77 10.374 8.116 0.789 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.074 9.268 1.592 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.580 8.894 -0.047 1.00 0.00 H new ATOM 811 N PRO A 78 11.818 6.011 0.422 1.00 0.00 N ATOM 812 CA PRO A 78 12.420 4.672 0.361 1.00 0.00 C ATOM 813 C PRO A 78 13.945 4.717 0.268 1.00 0.00 C ATOM 814 O PRO A 78 14.548 4.034 -0.561 1.00 0.00 O ATOM 815 CB PRO A 78 11.819 4.076 -0.914 1.00 0.00 C ATOM 816 CG PRO A 78 11.508 5.253 -1.771 1.00 0.00 C ATOM 817 CD PRO A 78 11.126 6.365 -0.832 1.00 0.00 C ATOM 0 HA PRO A 78 12.214 4.091 1.260 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.521 3.403 -1.406 1.00 0.00 H new ATOM 0 HB3 PRO A 78 10.922 3.497 -0.696 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.370 5.533 -2.376 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.694 5.029 -2.461 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.448 7.336 -1.208 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.046 6.420 -0.693 1.00 0.00 H new ATOM 825 N VAL A 79 14.563 5.526 1.125 1.00 0.00 N ATOM 826 CA VAL A 79 16.013 5.669 1.149 1.00 0.00 C ATOM 827 C VAL A 79 16.698 4.365 1.556 1.00 0.00 C ATOM 828 O VAL A 79 17.767 4.032 1.045 1.00 0.00 O ATOM 829 CB VAL A 79 16.448 6.790 2.116 1.00 0.00 C ATOM 830 CG1 VAL A 79 17.962 6.943 2.116 1.00 0.00 C ATOM 831 CG2 VAL A 79 15.773 8.102 1.746 1.00 0.00 C ATOM 0 H VAL A 79 14.076 6.096 1.817 1.00 0.00 H new ATOM 0 HA VAL A 79 16.319 5.929 0.136 1.00 0.00 H new ATOM 0 HB VAL A 79 16.136 6.516 3.124 1.00 0.00 H new ATOM 0 HG11 VAL A 79 18.247 7.739 2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 79 18.422 6.007 2.432 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.302 7.193 1.111 1.00 0.00 H new ATOM 0 HG21 VAL A 79 16.090 8.882 2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 79 16.053 8.382 0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 79 14.691 7.984 1.804 1.00 0.00 H new ATOM 841 N GLN A 80 16.082 3.637 2.484 1.00 0.00 N ATOM 842 CA GLN A 80 16.645 2.377 2.960 1.00 0.00 C ATOM 843 C GLN A 80 15.558 1.320 3.149 1.00 0.00 C ATOM 844 O GLN A 80 14.602 1.256 2.375 1.00 0.00 O ATOM 845 CB GLN A 80 17.395 2.601 4.276 1.00 0.00 C ATOM 846 CG GLN A 80 18.545 3.589 4.163 1.00 0.00 C ATOM 847 CD GLN A 80 19.265 3.800 5.480 1.00 0.00 C ATOM 848 OE1 GLN A 80 18.667 4.232 6.465 1.00 0.00 O ATOM 849 NE2 GLN A 80 20.557 3.493 5.504 1.00 0.00 N ATOM 0 H GLN A 80 15.197 3.897 2.919 1.00 0.00 H new ATOM 0 HA GLN A 80 17.342 2.012 2.206 1.00 0.00 H new ATOM 0 HB2 GLN A 80 16.692 2.959 5.028 1.00 0.00 H new ATOM 0 HB3 GLN A 80 17.782 1.646 4.631 1.00 0.00 H new ATOM 0 HG2 GLN A 80 19.255 3.230 3.418 1.00 0.00 H new ATOM 0 HG3 GLN A 80 18.164 4.545 3.805 1.00 0.00 H new ATOM 0 HE21 GLN A 80 21.012 3.138 4.663 1.00 0.00 H new ATOM 0 HE22 GLN A 80 21.094 3.613 6.363 1.00 0.00 H new ATOM 858 N ASN A 81 15.716 0.482 4.173 1.00 0.00 N ATOM 859 CA ASN A 81 14.753 -0.581 4.448 1.00 0.00 C ATOM 860 C ASN A 81 13.776 -0.195 5.556 1.00 0.00 C ATOM 861 O ASN A 81 12.568 -0.384 5.417 1.00 0.00 O ATOM 862 CB ASN A 81 15.487 -1.867 4.832 1.00 0.00 C ATOM 863 CG ASN A 81 16.409 -2.358 3.732 1.00 0.00 C ATOM 864 OD1 ASN A 81 15.967 -2.650 2.621 1.00 0.00 O ATOM 865 ND2 ASN A 81 17.698 -2.448 4.036 1.00 0.00 N ATOM 0 H ASN A 81 16.500 0.519 4.824 1.00 0.00 H new ATOM 0 HA ASN A 81 14.176 -0.743 3.537 1.00 0.00 H new ATOM 0 HB2 ASN A 81 16.067 -1.694 5.738 1.00 0.00 H new ATOM 0 HB3 ASN A 81 14.757 -2.643 5.064 1.00 0.00 H new ATOM 0 HD21 ASN A 81 18.366 -2.770 3.335 1.00 0.00 H new ATOM 0 HD22 ASN A 81 18.021 -2.195 4.970 1.00 0.00 H new ATOM 872 N TRP A 82 14.301 0.328 6.662 1.00 0.00 N ATOM 873 CA TRP A 82 13.460 0.713 7.792 1.00 0.00 C ATOM 874 C TRP A 82 12.429 1.758 7.372 1.00 0.00 C ATOM 875 O TRP A 82 11.309 1.776 7.885 1.00 0.00 O ATOM 876 CB TRP A 82 14.317 1.221 8.960 1.00 0.00 C ATOM 877 CG TRP A 82 14.784 2.638 8.826 1.00 0.00 C ATOM 878 CD1 TRP A 82 15.982 3.066 8.332 1.00 0.00 C ATOM 879 CD2 TRP A 82 14.075 3.814 9.237 1.00 0.00 C ATOM 880 NE1 TRP A 82 16.053 4.438 8.390 1.00 0.00 N ATOM 881 CE2 TRP A 82 14.895 4.919 8.944 1.00 0.00 C ATOM 882 CE3 TRP A 82 12.822 4.037 9.815 1.00 0.00 C ATOM 883 CZ2 TRP A 82 14.502 6.228 9.215 1.00 0.00 C ATOM 884 CZ3 TRP A 82 12.435 5.336 10.083 1.00 0.00 C ATOM 885 CH2 TRP A 82 13.272 6.417 9.783 1.00 0.00 C ATOM 0 H TRP A 82 15.298 0.494 6.799 1.00 0.00 H new ATOM 0 HA TRP A 82 12.920 -0.171 8.131 1.00 0.00 H new ATOM 0 HB2 TRP A 82 13.742 1.128 9.881 1.00 0.00 H new ATOM 0 HB3 TRP A 82 15.188 0.574 9.061 1.00 0.00 H new ATOM 0 HD1 TRP A 82 16.760 2.421 7.951 1.00 0.00 H new ATOM 0 HE1 TRP A 82 16.839 5.005 8.073 1.00 0.00 H new ATOM 0 HE3 TRP A 82 12.168 3.209 10.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 15.146 7.064 8.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 11.470 5.520 10.532 1.00 0.00 H new ATOM 0 HH2 TRP A 82 12.940 7.421 10.004 1.00 0.00 H new ATOM 896 N HIS A 83 12.807 2.615 6.427 1.00 0.00 N ATOM 897 CA HIS A 83 11.905 3.649 5.926 1.00 0.00 C ATOM 898 C HIS A 83 10.602 3.027 5.435 1.00 0.00 C ATOM 899 O HIS A 83 9.511 3.479 5.781 1.00 0.00 O ATOM 900 CB HIS A 83 12.561 4.411 4.770 1.00 0.00 C ATOM 901 CG HIS A 83 13.736 5.251 5.165 1.00 0.00 C ATOM 902 ND1 HIS A 83 15.058 5.086 4.931 1.00 0.00 N flip ATOM 903 CD2 HIS A 83 13.619 6.429 5.871 1.00 0.00 C flip ATOM 904 CE1 HIS A 83 15.708 6.157 5.489 1.00 0.00 C flip ATOM 905 NE2 HIS A 83 14.819 6.954 6.048 1.00 0.00 N flip ATOM 0 H HIS A 83 13.730 2.614 5.993 1.00 0.00 H new ATOM 0 HA HIS A 83 11.692 4.338 6.743 1.00 0.00 H new ATOM 0 HB2 HIS A 83 12.881 3.694 4.015 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.813 5.052 4.304 1.00 0.00 H new ATOM 0 HD2 HIS A 83 12.692 6.856 6.224 1.00 0.00 H new ATOM 0 HE1 HIS A 83 16.775 6.321 5.473 1.00 0.00 H new ATOM 0 HE2 HIS A 83 15.023 7.827 6.534 1.00 0.00 H new ATOM 914 N LYS A 84 10.733 1.987 4.615 1.00 0.00 N ATOM 915 CA LYS A 84 9.580 1.290 4.054 1.00 0.00 C ATOM 916 C LYS A 84 8.758 0.606 5.141 1.00 0.00 C ATOM 917 O LYS A 84 7.532 0.689 5.145 1.00 0.00 O ATOM 918 CB LYS A 84 10.044 0.254 3.031 1.00 0.00 C ATOM 919 CG LYS A 84 10.853 0.845 1.889 1.00 0.00 C ATOM 920 CD LYS A 84 11.304 -0.229 0.911 1.00 0.00 C ATOM 921 CE LYS A 84 12.049 0.372 -0.270 1.00 0.00 C ATOM 922 NZ LYS A 84 12.536 -0.674 -1.210 1.00 0.00 N ATOM 0 H LYS A 84 11.633 1.607 4.323 1.00 0.00 H new ATOM 0 HA LYS A 84 8.947 2.031 3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.645 -0.501 3.538 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.172 -0.255 2.621 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.253 1.588 1.364 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.724 1.363 2.289 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.948 -0.943 1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.437 -0.783 0.552 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.392 1.060 -0.802 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.895 0.956 0.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.038 -0.223 -2.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.183 -1.316 -0.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.727 -1.215 -1.577 1.00 0.00 H new ATOM 936 N LEU A 85 9.440 -0.078 6.052 1.00 0.00 N ATOM 937 CA LEU A 85 8.780 -0.789 7.138 1.00 0.00 C ATOM 938 C LEU A 85 7.807 0.114 7.892 1.00 0.00 C ATOM 939 O LEU A 85 6.772 -0.342 8.378 1.00 0.00 O ATOM 940 CB LEU A 85 9.826 -1.346 8.102 1.00 0.00 C ATOM 941 CG LEU A 85 10.820 -2.334 7.485 1.00 0.00 C ATOM 942 CD1 LEU A 85 11.842 -2.776 8.520 1.00 0.00 C ATOM 943 CD2 LEU A 85 10.089 -3.537 6.907 1.00 0.00 C ATOM 0 H LEU A 85 10.457 -0.155 6.059 1.00 0.00 H new ATOM 0 HA LEU A 85 8.207 -1.608 6.704 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.384 -0.513 8.529 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.311 -1.840 8.926 1.00 0.00 H new ATOM 0 HG LEU A 85 11.347 -1.831 6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.541 -3.478 8.065 1.00 0.00 H new ATOM 0 HD12 LEU A 85 12.388 -1.907 8.887 1.00 0.00 H new ATOM 0 HD13 LEU A 85 11.331 -3.261 9.352 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.812 -4.228 6.473 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.535 -4.041 7.699 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.396 -3.205 6.134 1.00 0.00 H new ATOM 955 N GLU A 86 8.148 1.393 7.990 1.00 0.00 N ATOM 956 CA GLU A 86 7.309 2.357 8.691 1.00 0.00 C ATOM 957 C GLU A 86 6.064 2.697 7.881 1.00 0.00 C ATOM 958 O GLU A 86 4.944 2.627 8.389 1.00 0.00 O ATOM 959 CB GLU A 86 8.097 3.627 8.986 1.00 0.00 C ATOM 960 CG GLU A 86 7.337 4.617 9.849 1.00 0.00 C ATOM 961 CD GLU A 86 6.948 4.050 11.201 1.00 0.00 C ATOM 962 OE1 GLU A 86 6.165 3.078 11.239 1.00 0.00 O ATOM 963 OE2 GLU A 86 7.428 4.580 12.227 1.00 0.00 O ATOM 0 H GLU A 86 9.001 1.787 7.592 1.00 0.00 H new ATOM 0 HA GLU A 86 6.993 1.903 9.630 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.029 3.361 9.485 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.365 4.107 8.045 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.950 5.506 9.997 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.437 4.934 9.322 1.00 0.00 H new ATOM 970 N ASN A 87 6.267 3.067 6.622 1.00 0.00 N ATOM 971 CA ASN A 87 5.170 3.423 5.739 1.00 0.00 C ATOM 972 C ASN A 87 4.206 2.257 5.557 1.00 0.00 C ATOM 973 O ASN A 87 2.990 2.443 5.536 1.00 0.00 O ATOM 974 CB ASN A 87 5.724 3.861 4.387 1.00 0.00 C ATOM 975 CG ASN A 87 6.660 5.045 4.504 1.00 0.00 C ATOM 976 OD1 ASN A 87 6.270 6.118 4.966 1.00 0.00 O ATOM 977 ND2 ASN A 87 7.907 4.858 4.088 1.00 0.00 N ATOM 0 H ASN A 87 7.189 3.128 6.190 1.00 0.00 H new ATOM 0 HA ASN A 87 4.617 4.246 6.192 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.253 3.027 3.927 1.00 0.00 H new ATOM 0 HB3 ASN A 87 4.897 4.119 3.725 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.583 5.620 4.145 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.189 3.953 3.712 1.00 0.00 H new ATOM 984 N ILE A 88 4.755 1.054 5.425 1.00 0.00 N ATOM 985 CA ILE A 88 3.938 -0.139 5.244 1.00 0.00 C ATOM 986 C ILE A 88 3.064 -0.393 6.466 1.00 0.00 C ATOM 987 O ILE A 88 1.886 -0.729 6.340 1.00 0.00 O ATOM 988 CB ILE A 88 4.804 -1.385 4.970 1.00 0.00 C ATOM 989 CG1 ILE A 88 5.638 -1.183 3.701 1.00 0.00 C ATOM 990 CG2 ILE A 88 3.924 -2.623 4.843 1.00 0.00 C ATOM 991 CD1 ILE A 88 6.526 -2.361 3.360 1.00 0.00 C ATOM 0 H ILE A 88 5.760 0.880 5.440 1.00 0.00 H new ATOM 0 HA ILE A 88 3.303 0.042 4.377 1.00 0.00 H new ATOM 0 HB ILE A 88 5.484 -1.531 5.809 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.967 -0.991 2.863 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.259 -0.295 3.823 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.549 -3.495 4.650 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.370 -2.772 5.770 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.224 -2.489 4.019 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.085 -2.144 2.450 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.222 -2.541 4.179 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.911 -3.247 3.205 1.00 0.00 H new ATOM 1003 N GLY A 89 3.647 -0.230 7.650 1.00 0.00 N ATOM 1004 CA GLY A 89 2.907 -0.443 8.878 1.00 0.00 C ATOM 1005 C GLY A 89 1.727 0.499 9.017 1.00 0.00 C ATOM 1006 O GLY A 89 0.629 0.080 9.380 1.00 0.00 O ATOM 0 H GLY A 89 4.620 0.046 7.779 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.551 -1.473 8.910 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.576 -0.310 9.729 1.00 0.00 H new ATOM 1010 N ASN A 90 1.957 1.777 8.728 1.00 0.00 N ATOM 1011 CA ASN A 90 0.906 2.786 8.823 1.00 0.00 C ATOM 1012 C ASN A 90 -0.198 2.530 7.801 1.00 0.00 C ATOM 1013 O ASN A 90 -1.383 2.659 8.107 1.00 0.00 O ATOM 1014 CB ASN A 90 1.488 4.186 8.610 1.00 0.00 C ATOM 1015 CG ASN A 90 2.588 4.517 9.596 1.00 0.00 C ATOM 1016 OD1 ASN A 90 2.397 4.433 10.809 1.00 0.00 O ATOM 1017 ND2 ASN A 90 3.743 4.908 9.078 1.00 0.00 N ATOM 0 H ASN A 90 2.862 2.138 8.426 1.00 0.00 H new ATOM 0 HA ASN A 90 0.475 2.722 9.822 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.880 4.262 7.596 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.691 4.924 8.700 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.520 5.154 9.692 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.856 4.963 8.066 1.00 0.00 H new ATOM 1024 N PHE A 91 0.202 2.178 6.585 1.00 0.00 N ATOM 1025 CA PHE A 91 -0.747 1.916 5.509 1.00 0.00 C ATOM 1026 C PHE A 91 -1.665 0.741 5.841 1.00 0.00 C ATOM 1027 O PHE A 91 -2.883 0.837 5.699 1.00 0.00 O ATOM 1028 CB PHE A 91 0.004 1.634 4.204 1.00 0.00 C ATOM 1029 CG PHE A 91 -0.894 1.307 3.042 1.00 0.00 C ATOM 1030 CD1 PHE A 91 -1.978 2.113 2.733 1.00 0.00 C ATOM 1031 CD2 PHE A 91 -0.650 0.190 2.259 1.00 0.00 C ATOM 1032 CE1 PHE A 91 -2.801 1.811 1.665 1.00 0.00 C ATOM 1033 CE2 PHE A 91 -1.471 -0.118 1.190 1.00 0.00 C ATOM 1034 CZ PHE A 91 -2.547 0.695 0.893 1.00 0.00 C ATOM 0 H PHE A 91 1.180 2.067 6.319 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.367 2.804 5.390 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.609 2.504 3.949 1.00 0.00 H new ATOM 0 HB3 PHE A 91 0.692 0.803 4.364 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.182 2.987 3.334 1.00 0.00 H new ATOM 0 HD2 PHE A 91 0.192 -0.448 2.486 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.642 2.448 1.434 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.271 -0.993 0.589 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.189 0.458 0.058 1.00 0.00 H new ATOM 1044 N LEU A 92 -1.074 -0.369 6.267 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.842 -1.565 6.600 1.00 0.00 C ATOM 1046 C LEU A 92 -2.726 -1.356 7.824 1.00 0.00 C ATOM 1047 O LEU A 92 -3.903 -1.704 7.805 1.00 0.00 O ATOM 1048 CB LEU A 92 -0.905 -2.749 6.821 1.00 0.00 C ATOM 1049 CG LEU A 92 -0.164 -3.208 5.568 1.00 0.00 C ATOM 1050 CD1 LEU A 92 0.861 -4.277 5.911 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -1.148 -3.722 4.531 1.00 0.00 C ATOM 0 H LEU A 92 -0.066 -0.467 6.390 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.499 -1.777 5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.174 -2.481 7.583 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.483 -3.586 7.214 1.00 0.00 H new ATOM 0 HG LEU A 92 0.366 -2.353 5.148 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.378 -4.590 5.004 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.584 -3.874 6.620 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.357 -5.135 6.356 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.605 -4.046 3.643 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.704 -4.564 4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.842 -2.926 4.262 1.00 0.00 H new ATOM 1063 N ARG A 93 -2.166 -0.790 8.885 1.00 0.00 N ATOM 1064 CA ARG A 93 -2.936 -0.549 10.098 1.00 0.00 C ATOM 1065 C ARG A 93 -4.119 0.362 9.796 1.00 0.00 C ATOM 1066 O ARG A 93 -5.217 0.174 10.321 1.00 0.00 O ATOM 1067 CB ARG A 93 -2.061 0.075 11.186 1.00 0.00 C ATOM 1068 CG ARG A 93 -1.611 1.491 10.875 1.00 0.00 C ATOM 1069 CD ARG A 93 -0.854 2.103 12.035 1.00 0.00 C ATOM 1070 NE ARG A 93 -0.500 3.498 11.786 1.00 0.00 N ATOM 1071 CZ ARG A 93 0.140 4.264 12.664 1.00 0.00 C ATOM 1072 NH1 ARG A 93 0.500 3.772 13.842 1.00 0.00 N ATOM 1073 NH2 ARG A 93 0.422 5.524 12.364 1.00 0.00 N ATOM 0 H ARG A 93 -1.192 -0.492 8.931 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.306 -1.508 10.462 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -2.613 0.078 12.126 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.181 -0.551 11.335 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.977 1.485 9.988 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.480 2.106 10.642 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.462 2.039 12.938 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.053 1.527 12.220 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.758 3.907 10.888 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.286 2.803 14.077 1.00 0.00 H new ATOM 0 HH12 ARG A 93 0.991 4.363 14.513 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.148 5.906 11.459 1.00 0.00 H new ATOM 0 HH22 ARG A 93 0.913 6.111 13.038 1.00 0.00 H new ATOM 1087 N ALA A 94 -3.877 1.352 8.946 1.00 0.00 N ATOM 1088 CA ALA A 94 -4.906 2.307 8.561 1.00 0.00 C ATOM 1089 C ALA A 94 -6.007 1.652 7.730 1.00 0.00 C ATOM 1090 O ALA A 94 -7.186 1.914 7.950 1.00 0.00 O ATOM 1091 CB ALA A 94 -4.287 3.466 7.794 1.00 0.00 C ATOM 0 H ALA A 94 -2.970 1.514 8.508 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.364 2.684 9.475 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.067 4.173 7.512 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.552 3.968 8.424 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.798 3.088 6.896 1.00 0.00 H new ATOM 1097 N ILE A 95 -5.622 0.810 6.770 1.00 0.00 N ATOM 1098 CA ILE A 95 -6.601 0.141 5.914 1.00 0.00 C ATOM 1099 C ILE A 95 -7.374 -0.931 6.678 1.00 0.00 C ATOM 1100 O ILE A 95 -8.582 -1.082 6.500 1.00 0.00 O ATOM 1101 CB ILE A 95 -5.950 -0.490 4.661 1.00 0.00 C ATOM 1102 CG1 ILE A 95 -4.993 -1.623 5.045 1.00 0.00 C ATOM 1103 CG2 ILE A 95 -5.222 0.576 3.855 1.00 0.00 C ATOM 1104 CD1 ILE A 95 -4.419 -2.356 3.851 1.00 0.00 C ATOM 0 H ILE A 95 -4.650 0.577 6.567 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.294 0.916 5.587 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.741 -0.918 4.045 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.175 -1.213 5.638 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.521 -2.335 5.680 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.768 0.120 2.975 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.931 1.342 3.541 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.445 1.030 4.470 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.750 -3.145 4.195 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.230 -2.796 3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.863 -1.656 3.227 1.00 0.00 H new ATOM 1116 N LYS A 96 -6.673 -1.665 7.539 1.00 0.00 N ATOM 1117 CA LYS A 96 -7.295 -2.710 8.339 1.00 0.00 C ATOM 1118 C LYS A 96 -8.376 -2.115 9.233 1.00 0.00 C ATOM 1119 O LYS A 96 -9.441 -2.703 9.422 1.00 0.00 O ATOM 1120 CB LYS A 96 -6.239 -3.419 9.194 1.00 0.00 C ATOM 1121 CG LYS A 96 -5.256 -4.261 8.396 1.00 0.00 C ATOM 1122 CD LYS A 96 -4.223 -4.943 9.286 1.00 0.00 C ATOM 1123 CE LYS A 96 -4.857 -5.985 10.194 1.00 0.00 C ATOM 1124 NZ LYS A 96 -5.727 -5.375 11.238 1.00 0.00 N ATOM 0 H LYS A 96 -5.672 -1.553 7.699 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.753 -3.437 7.669 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.684 -2.671 9.760 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.743 -4.058 9.919 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.803 -5.017 7.832 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.746 -3.629 7.669 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.464 -5.417 8.664 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.715 -4.193 9.893 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.447 -6.677 9.592 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -4.073 -6.570 10.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.671 -5.939 12.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.408 -4.404 11.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -6.711 -5.355 10.902 1.00 0.00 H new ATOM 1138 N HIS A 97 -8.086 -0.937 9.771 1.00 0.00 N ATOM 1139 CA HIS A 97 -9.013 -0.230 10.643 1.00 0.00 C ATOM 1140 C HIS A 97 -10.051 0.524 9.820 1.00 0.00 C ATOM 1141 O HIS A 97 -11.212 0.638 10.212 1.00 0.00 O ATOM 1142 CB HIS A 97 -8.245 0.751 11.530 1.00 0.00 C ATOM 1143 CG HIS A 97 -9.095 1.440 12.552 1.00 0.00 C ATOM 1144 ND1 HIS A 97 -10.199 2.200 12.229 1.00 0.00 N ATOM 1145 CD2 HIS A 97 -8.991 1.483 13.901 1.00 0.00 C ATOM 1146 CE1 HIS A 97 -10.738 2.682 13.336 1.00 0.00 C ATOM 1147 NE2 HIS A 97 -10.025 2.260 14.363 1.00 0.00 N ATOM 0 H HIS A 97 -7.205 -0.447 9.616 1.00 0.00 H new ATOM 0 HA HIS A 97 -9.526 -0.959 11.270 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.445 0.214 12.040 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.773 1.503 10.898 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -8.236 0.997 14.502 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -11.613 3.313 13.390 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -10.212 2.476 15.342 1.00 0.00 H new ATOM 1156 N TYR A 98 -9.609 1.049 8.682 1.00 0.00 N ATOM 1157 CA TYR A 98 -10.479 1.812 7.794 1.00 0.00 C ATOM 1158 C TYR A 98 -11.725 1.016 7.424 1.00 0.00 C ATOM 1159 O TYR A 98 -12.836 1.545 7.439 1.00 0.00 O ATOM 1160 CB TYR A 98 -9.724 2.210 6.523 1.00 0.00 C ATOM 1161 CG TYR A 98 -10.514 3.109 5.597 1.00 0.00 C ATOM 1162 CD1 TYR A 98 -11.060 4.304 6.055 1.00 0.00 C ATOM 1163 CD2 TYR A 98 -10.716 2.763 4.267 1.00 0.00 C ATOM 1164 CE1 TYR A 98 -11.782 5.126 5.212 1.00 0.00 C ATOM 1165 CE2 TYR A 98 -11.437 3.581 3.419 1.00 0.00 C ATOM 1166 CZ TYR A 98 -11.968 4.760 3.896 1.00 0.00 C ATOM 1167 OH TYR A 98 -12.688 5.577 3.054 1.00 0.00 O ATOM 0 H TYR A 98 -8.648 0.959 8.352 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.791 2.711 8.325 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.800 2.716 6.804 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.441 1.307 5.982 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.917 4.593 7.086 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.303 1.839 3.890 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -12.199 6.051 5.582 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.584 3.298 2.387 1.00 0.00 H new ATOM 0 HH TYR A 98 -12.179 5.728 2.231 1.00 0.00 H new ATOM 1177 N GLY A 99 -11.536 -0.257 7.089 1.00 0.00 N ATOM 1178 CA GLY A 99 -12.664 -1.091 6.720 1.00 0.00 C ATOM 1179 C GLY A 99 -12.252 -2.450 6.192 1.00 0.00 C ATOM 1180 O GLY A 99 -12.853 -3.465 6.544 1.00 0.00 O ATOM 0 H GLY A 99 -10.629 -0.722 7.067 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.308 -1.226 7.589 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.255 -0.577 5.962 1.00 0.00 H new ATOM 1184 N VAL A 100 -11.232 -2.473 5.339 1.00 0.00 N ATOM 1185 CA VAL A 100 -10.756 -3.723 4.759 1.00 0.00 C ATOM 1186 C VAL A 100 -10.370 -4.717 5.851 1.00 0.00 C ATOM 1187 O VAL A 100 -9.588 -4.399 6.747 1.00 0.00 O ATOM 1188 CB VAL A 100 -9.546 -3.494 3.833 1.00 0.00 C ATOM 1189 CG1 VAL A 100 -9.245 -4.754 3.036 1.00 0.00 C ATOM 1190 CG2 VAL A 100 -9.803 -2.324 2.895 1.00 0.00 C ATOM 0 H VAL A 100 -10.722 -1.644 5.036 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.576 -4.132 4.169 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.680 -3.256 4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -8.388 -4.577 2.386 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -9.019 -5.572 3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -10.112 -5.017 2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.937 -2.178 2.249 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -10.680 -2.534 2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -9.976 -1.420 3.479 1.00 0.00 H new ATOM 1200 N LYS A 101 -10.931 -5.920 5.771 1.00 0.00 N ATOM 1201 CA LYS A 101 -10.655 -6.964 6.752 1.00 0.00 C ATOM 1202 C LYS A 101 -9.221 -7.477 6.628 1.00 0.00 C ATOM 1203 O LYS A 101 -8.696 -7.610 5.522 1.00 0.00 O ATOM 1204 CB LYS A 101 -11.640 -8.123 6.585 1.00 0.00 C ATOM 1205 CG LYS A 101 -13.096 -7.720 6.771 1.00 0.00 C ATOM 1206 CD LYS A 101 -13.361 -7.188 8.173 1.00 0.00 C ATOM 1207 CE LYS A 101 -13.107 -8.249 9.233 1.00 0.00 C ATOM 1208 NZ LYS A 101 -13.368 -7.735 10.607 1.00 0.00 N ATOM 0 H LYS A 101 -11.581 -6.196 5.035 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.776 -6.530 7.744 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.515 -8.554 5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.394 -8.904 7.304 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -13.359 -6.958 6.037 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -13.738 -8.580 6.581 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.723 -6.325 8.362 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -14.393 -6.843 8.243 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.743 -9.113 9.042 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.075 -8.592 9.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.183 -8.488 11.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.743 -6.926 10.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.360 -7.431 10.681 1.00 0.00 H new ATOM 1222 N PRO A 102 -8.569 -7.775 7.767 1.00 0.00 N ATOM 1223 CA PRO A 102 -7.191 -8.280 7.783 1.00 0.00 C ATOM 1224 C PRO A 102 -7.020 -9.516 6.906 1.00 0.00 C ATOM 1225 O PRO A 102 -6.013 -9.666 6.215 1.00 0.00 O ATOM 1226 CB PRO A 102 -6.953 -8.634 9.253 1.00 0.00 C ATOM 1227 CG PRO A 102 -7.926 -7.799 10.012 1.00 0.00 C ATOM 1228 CD PRO A 102 -9.125 -7.646 9.126 1.00 0.00 C ATOM 0 HA PRO A 102 -6.486 -7.547 7.390 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.118 -9.696 9.435 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.928 -8.415 9.551 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.196 -8.276 10.954 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.497 -6.828 10.258 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.873 -8.413 9.328 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.610 -6.681 9.271 1.00 0.00 H new ATOM 1236 N HIS A 103 -8.015 -10.398 6.942 1.00 0.00 N ATOM 1237 CA HIS A 103 -7.987 -11.624 6.152 1.00 0.00 C ATOM 1238 C HIS A 103 -7.806 -11.311 4.670 1.00 0.00 C ATOM 1239 O HIS A 103 -7.296 -12.132 3.907 1.00 0.00 O ATOM 1240 CB HIS A 103 -9.276 -12.421 6.366 1.00 0.00 C ATOM 1241 CG HIS A 103 -9.319 -13.712 5.609 1.00 0.00 C ATOM 1242 ND1 HIS A 103 -8.398 -14.723 5.791 1.00 0.00 N ATOM 1243 CD2 HIS A 103 -10.180 -14.157 4.663 1.00 0.00 C ATOM 1244 CE1 HIS A 103 -8.690 -15.731 4.990 1.00 0.00 C ATOM 1245 NE2 HIS A 103 -9.766 -15.414 4.295 1.00 0.00 N ATOM 0 H HIS A 103 -8.853 -10.285 7.512 1.00 0.00 H new ATOM 0 HA HIS A 103 -7.139 -12.223 6.483 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.391 -12.630 7.430 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.126 -11.807 6.068 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -11.033 -13.623 4.271 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -8.141 -16.658 4.916 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -10.217 -16.006 3.598 1.00 0.00 H new ATOM 1254 N ASP A 104 -8.220 -10.112 4.272 1.00 0.00 N ATOM 1255 CA ASP A 104 -8.101 -9.676 2.890 1.00 0.00 C ATOM 1256 C ASP A 104 -7.075 -8.561 2.793 1.00 0.00 C ATOM 1257 O ASP A 104 -7.243 -7.604 2.037 1.00 0.00 O ATOM 1258 CB ASP A 104 -9.456 -9.194 2.370 1.00 0.00 C ATOM 1259 CG ASP A 104 -10.492 -10.299 2.339 1.00 0.00 C ATOM 1260 OD1 ASP A 104 -10.263 -11.309 1.641 1.00 0.00 O ATOM 1261 OD2 ASP A 104 -11.533 -10.156 3.015 1.00 0.00 O ATOM 0 H ASP A 104 -8.643 -9.423 4.894 1.00 0.00 H new ATOM 0 HA ASP A 104 -7.774 -10.516 2.278 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.815 -8.381 3.001 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -9.333 -8.788 1.366 1.00 0.00 H new ATOM 1266 N ILE A 105 -6.016 -8.692 3.580 1.00 0.00 N ATOM 1267 CA ILE A 105 -4.956 -7.698 3.613 1.00 0.00 C ATOM 1268 C ILE A 105 -3.600 -8.342 3.864 1.00 0.00 C ATOM 1269 O ILE A 105 -3.435 -9.125 4.800 1.00 0.00 O ATOM 1270 CB ILE A 105 -5.220 -6.652 4.712 1.00 0.00 C ATOM 1271 CG1 ILE A 105 -6.471 -5.838 4.389 1.00 0.00 C ATOM 1272 CG2 ILE A 105 -4.017 -5.741 4.880 1.00 0.00 C ATOM 1273 CD1 ILE A 105 -6.800 -4.787 5.428 1.00 0.00 C ATOM 0 H ILE A 105 -5.869 -9.483 4.207 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.945 -7.211 2.638 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.387 -7.176 5.653 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.337 -5.351 3.423 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.319 -6.516 4.290 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.222 -5.008 5.661 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.147 -6.335 5.159 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.818 -5.225 3.941 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.700 -4.250 5.130 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.967 -5.268 6.392 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.970 -4.085 5.511 1.00 0.00 H new ATOM 1285 N PHE A 106 -2.627 -7.997 3.027 1.00 0.00 N ATOM 1286 CA PHE A 106 -1.279 -8.530 3.164 1.00 0.00 C ATOM 1287 C PHE A 106 -0.551 -7.850 4.310 1.00 0.00 C ATOM 1288 O PHE A 106 -0.717 -6.653 4.541 1.00 0.00 O ATOM 1289 CB PHE A 106 -0.492 -8.355 1.864 1.00 0.00 C ATOM 1290 CG PHE A 106 -0.366 -6.924 1.412 1.00 0.00 C ATOM 1291 CD1 PHE A 106 0.573 -6.079 1.984 1.00 0.00 C ATOM 1292 CD2 PHE A 106 -1.179 -6.428 0.406 1.00 0.00 C ATOM 1293 CE1 PHE A 106 0.695 -4.767 1.564 1.00 0.00 C ATOM 1294 CE2 PHE A 106 -1.061 -5.119 -0.019 1.00 0.00 C ATOM 1295 CZ PHE A 106 -0.123 -4.287 0.561 1.00 0.00 C ATOM 0 H PHE A 106 -2.748 -7.351 2.247 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.357 -9.595 3.381 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.506 -8.773 1.997 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -0.977 -8.932 1.077 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.217 -6.450 2.767 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -1.914 -7.073 -0.052 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.429 -4.119 2.020 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -1.702 -4.746 -0.804 1.00 0.00 H new ATOM 0 HZ PHE A 106 -0.030 -3.263 0.230 1.00 0.00 H new ATOM 1305 N GLU A 107 0.261 -8.612 5.021 1.00 0.00 N ATOM 1306 CA GLU A 107 1.020 -8.064 6.135 1.00 0.00 C ATOM 1307 C GLU A 107 2.309 -7.427 5.643 1.00 0.00 C ATOM 1308 O GLU A 107 2.779 -7.723 4.544 1.00 0.00 O ATOM 1309 CB GLU A 107 1.322 -9.131 7.178 1.00 0.00 C ATOM 1310 CG GLU A 107 0.089 -9.588 7.930 1.00 0.00 C ATOM 1311 CD GLU A 107 -0.847 -10.420 7.076 1.00 0.00 C ATOM 1312 OE1 GLU A 107 -0.411 -11.477 6.572 1.00 0.00 O ATOM 1313 OE2 GLU A 107 -2.018 -10.017 6.913 1.00 0.00 O ATOM 0 H GLU A 107 0.413 -9.606 4.850 1.00 0.00 H new ATOM 0 HA GLU A 107 0.407 -7.296 6.607 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.782 -9.990 6.689 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.051 -8.741 7.889 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.395 -10.171 8.799 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.447 -8.715 8.304 1.00 0.00 H new ATOM 1320 N ALA A 108 2.871 -6.546 6.460 1.00 0.00 N ATOM 1321 CA ALA A 108 4.103 -5.857 6.111 1.00 0.00 C ATOM 1322 C ALA A 108 5.152 -6.831 5.586 1.00 0.00 C ATOM 1323 O ALA A 108 5.931 -6.493 4.697 1.00 0.00 O ATOM 1324 CB ALA A 108 4.639 -5.098 7.315 1.00 0.00 C ATOM 0 H ALA A 108 2.491 -6.292 7.372 1.00 0.00 H new ATOM 0 HA ALA A 108 3.879 -5.147 5.315 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.562 -4.586 7.041 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.901 -4.365 7.641 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.839 -5.798 8.126 1.00 0.00 H new ATOM 1330 N ASN A 109 5.170 -8.041 6.141 1.00 0.00 N ATOM 1331 CA ASN A 109 6.129 -9.054 5.724 1.00 0.00 C ATOM 1332 C ASN A 109 5.770 -9.645 4.361 1.00 0.00 C ATOM 1333 O ASN A 109 6.652 -9.953 3.563 1.00 0.00 O ATOM 1334 CB ASN A 109 6.224 -10.156 6.778 1.00 0.00 C ATOM 1335 CG ASN A 109 4.894 -10.823 7.056 1.00 0.00 C ATOM 1336 OD1 ASN A 109 4.297 -11.437 6.175 1.00 0.00 O ATOM 1337 ND2 ASN A 109 4.425 -10.707 8.291 1.00 0.00 N ATOM 0 H ASN A 109 4.532 -8.341 6.878 1.00 0.00 H new ATOM 0 HA ASN A 109 7.102 -8.572 5.625 1.00 0.00 H new ATOM 0 HB2 ASN A 109 6.939 -10.908 6.446 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.613 -9.733 7.704 1.00 0.00 H new ATOM 0 HD21 ASN A 109 3.535 -11.137 8.541 1.00 0.00 H new ATOM 0 HD22 ASN A 109 4.955 -10.188 8.991 1.00 0.00 H new ATOM 1344 N ASP A 110 4.477 -9.811 4.097 1.00 0.00 N ATOM 1345 CA ASP A 110 4.031 -10.371 2.823 1.00 0.00 C ATOM 1346 C ASP A 110 4.613 -9.585 1.651 1.00 0.00 C ATOM 1347 O ASP A 110 5.130 -10.165 0.697 1.00 0.00 O ATOM 1348 CB ASP A 110 2.502 -10.369 2.736 1.00 0.00 C ATOM 1349 CG ASP A 110 1.855 -11.225 3.806 1.00 0.00 C ATOM 1350 OD1 ASP A 110 2.093 -10.961 5.000 1.00 0.00 O ATOM 1351 OD2 ASP A 110 1.105 -12.157 3.448 1.00 0.00 O ATOM 0 H ASP A 110 3.725 -9.568 4.742 1.00 0.00 H new ATOM 0 HA ASP A 110 4.388 -11.400 2.769 1.00 0.00 H new ATOM 0 HB2 ASP A 110 2.138 -9.345 2.826 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.197 -10.730 1.754 1.00 0.00 H new ATOM 1356 N LEU A 111 4.524 -8.261 1.734 1.00 0.00 N ATOM 1357 CA LEU A 111 5.040 -7.391 0.683 1.00 0.00 C ATOM 1358 C LEU A 111 6.554 -7.214 0.797 1.00 0.00 C ATOM 1359 O LEU A 111 7.277 -7.346 -0.190 1.00 0.00 O ATOM 1360 CB LEU A 111 4.346 -6.027 0.745 1.00 0.00 C ATOM 1361 CG LEU A 111 4.849 -4.989 -0.261 1.00 0.00 C ATOM 1362 CD1 LEU A 111 4.606 -5.462 -1.687 1.00 0.00 C ATOM 1363 CD2 LEU A 111 4.170 -3.648 -0.023 1.00 0.00 C ATOM 0 H LEU A 111 4.099 -7.767 2.519 1.00 0.00 H new ATOM 0 HA LEU A 111 4.829 -7.862 -0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 111 3.278 -6.174 0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.466 -5.622 1.750 1.00 0.00 H new ATOM 0 HG LEU A 111 5.923 -4.865 -0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.971 -4.710 -2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.135 -6.400 -1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.538 -5.615 -1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.538 -2.920 -0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.092 -3.761 -0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.393 -3.301 0.986 1.00 0.00 H new ATOM 1375 N PHE A 112 7.025 -6.907 2.005 1.00 0.00 N ATOM 1376 CA PHE A 112 8.454 -6.704 2.239 1.00 0.00 C ATOM 1377 C PHE A 112 9.240 -7.993 2.017 1.00 0.00 C ATOM 1378 O PHE A 112 10.074 -8.075 1.114 1.00 0.00 O ATOM 1379 CB PHE A 112 8.692 -6.196 3.663 1.00 0.00 C ATOM 1380 CG PHE A 112 10.125 -5.839 3.945 1.00 0.00 C ATOM 1381 CD1 PHE A 112 10.803 -4.938 3.136 1.00 0.00 C ATOM 1382 CD2 PHE A 112 10.793 -6.401 5.021 1.00 0.00 C ATOM 1383 CE1 PHE A 112 12.119 -4.608 3.397 1.00 0.00 C ATOM 1384 CE2 PHE A 112 12.108 -6.074 5.286 1.00 0.00 C ATOM 1385 CZ PHE A 112 12.773 -5.177 4.473 1.00 0.00 C ATOM 0 H PHE A 112 6.441 -6.794 2.833 1.00 0.00 H new ATOM 0 HA PHE A 112 8.805 -5.959 1.525 1.00 0.00 H new ATOM 0 HB2 PHE A 112 8.068 -5.319 3.836 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.371 -6.961 4.371 1.00 0.00 H new ATOM 0 HD1 PHE A 112 10.297 -4.490 2.294 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.279 -7.103 5.660 1.00 0.00 H new ATOM 0 HE1 PHE A 112 12.636 -3.906 2.760 1.00 0.00 H new ATOM 0 HE2 PHE A 112 12.616 -6.519 6.128 1.00 0.00 H new ATOM 0 HZ PHE A 112 13.802 -4.921 4.678 1.00 0.00 H new ATOM 1395 N GLU A 113 8.969 -8.998 2.845 1.00 0.00 N ATOM 1396 CA GLU A 113 9.650 -10.285 2.738 1.00 0.00 C ATOM 1397 C GLU A 113 9.242 -11.020 1.466 1.00 0.00 C ATOM 1398 O GLU A 113 9.691 -12.140 1.219 1.00 0.00 O ATOM 1399 CB GLU A 113 9.338 -11.153 3.957 1.00 0.00 C ATOM 1400 CG GLU A 113 9.940 -10.622 5.248 1.00 0.00 C ATOM 1401 CD GLU A 113 11.450 -10.507 5.183 1.00 0.00 C ATOM 1402 OE1 GLU A 113 12.116 -11.541 4.967 1.00 0.00 O ATOM 1403 OE2 GLU A 113 11.968 -9.382 5.349 1.00 0.00 O ATOM 0 H GLU A 113 8.283 -8.946 3.598 1.00 0.00 H new ATOM 0 HA GLU A 113 10.722 -10.093 2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.257 -11.228 4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 113 9.710 -12.162 3.780 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.514 -9.643 5.468 1.00 0.00 H new ATOM 0 HG3 GLU A 113 9.665 -11.281 6.071 1.00 0.00 H new ATOM 1410 N ASN A 114 8.377 -10.393 0.671 1.00 0.00 N ATOM 1411 CA ASN A 114 7.899 -11.003 -0.563 1.00 0.00 C ATOM 1412 C ASN A 114 7.332 -12.384 -0.264 1.00 0.00 C ATOM 1413 O ASN A 114 7.387 -13.292 -1.093 1.00 0.00 O ATOM 1414 CB ASN A 114 9.031 -11.106 -1.587 1.00 0.00 C ATOM 1415 CG ASN A 114 9.614 -9.753 -1.943 1.00 0.00 C ATOM 1416 OD1 ASN A 114 10.907 -9.581 -1.695 1.00 0.00 O flip ATOM 1417 ND2 ASN A 114 8.911 -8.873 -2.438 1.00 0.00 N flip ATOM 0 H ASN A 114 7.995 -9.466 0.860 1.00 0.00 H new ATOM 0 HA ASN A 114 7.114 -10.376 -0.985 1.00 0.00 H new ATOM 0 HB2 ASN A 114 9.820 -11.745 -1.190 1.00 0.00 H new ATOM 0 HB3 ASN A 114 8.657 -11.586 -2.491 1.00 0.00 H new ATOM 0 HD21 ASN A 114 7.921 -9.048 -2.612 1.00 0.00 H new ATOM 0 HD22 ASN A 114 9.318 -7.968 -2.675 1.00 0.00 H new ATOM 1424 N THR A 115 6.795 -12.527 0.943 1.00 0.00 N ATOM 1425 CA THR A 115 6.220 -13.785 1.391 1.00 0.00 C ATOM 1426 C THR A 115 4.959 -14.120 0.602 1.00 0.00 C ATOM 1427 O THR A 115 4.731 -15.273 0.235 1.00 0.00 O ATOM 1428 CB THR A 115 5.884 -13.733 2.893 1.00 0.00 C ATOM 1429 OG1 THR A 115 6.947 -13.091 3.606 1.00 0.00 O ATOM 1430 CG2 THR A 115 5.684 -15.130 3.450 1.00 0.00 C ATOM 0 H THR A 115 6.747 -11.777 1.633 1.00 0.00 H new ATOM 0 HA THR A 115 6.964 -14.563 1.220 1.00 0.00 H new ATOM 0 HB THR A 115 4.960 -13.168 3.016 1.00 0.00 H new ATOM 0 HG1 THR A 115 6.572 -12.531 4.318 1.00 0.00 H new ATOM 0 HG21 THR A 115 5.448 -15.068 4.512 1.00 0.00 H new ATOM 0 HG22 THR A 115 4.863 -15.618 2.924 1.00 0.00 H new ATOM 0 HG23 THR A 115 6.597 -15.710 3.315 1.00 0.00 H new ATOM 1438 N ASN A 116 4.145 -13.101 0.344 1.00 0.00 N ATOM 1439 CA ASN A 116 2.907 -13.282 -0.405 1.00 0.00 C ATOM 1440 C ASN A 116 2.822 -12.297 -1.566 1.00 0.00 C ATOM 1441 O ASN A 116 2.835 -11.083 -1.366 1.00 0.00 O ATOM 1442 CB ASN A 116 1.699 -13.108 0.520 1.00 0.00 C ATOM 1443 CG ASN A 116 1.612 -14.200 1.567 1.00 0.00 C ATOM 1444 OD1 ASN A 116 2.527 -14.379 2.372 1.00 0.00 O ATOM 1445 ND2 ASN A 116 0.508 -14.937 1.562 1.00 0.00 N ATOM 0 H ASN A 116 4.321 -12.142 0.643 1.00 0.00 H new ATOM 0 HA ASN A 116 2.902 -14.293 -0.813 1.00 0.00 H new ATOM 0 HB2 ASN A 116 1.760 -12.138 1.014 1.00 0.00 H new ATOM 0 HB3 ASN A 116 0.786 -13.106 -0.075 1.00 0.00 H new ATOM 0 HD21 ASN A 116 0.392 -15.687 2.244 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -0.225 -14.753 0.877 1.00 0.00 H new ATOM 1452 N HIS A 117 2.730 -12.832 -2.781 1.00 0.00 N ATOM 1453 CA HIS A 117 2.639 -12.004 -3.979 1.00 0.00 C ATOM 1454 C HIS A 117 1.185 -11.796 -4.385 1.00 0.00 C ATOM 1455 O HIS A 117 0.749 -10.667 -4.614 1.00 0.00 O ATOM 1456 CB HIS A 117 3.416 -12.647 -5.131 1.00 0.00 C ATOM 1457 CG HIS A 117 4.884 -12.799 -4.864 1.00 0.00 C ATOM 1458 ND1 HIS A 117 5.757 -13.364 -5.769 1.00 0.00 N ATOM 1459 CD2 HIS A 117 5.632 -12.453 -3.788 1.00 0.00 C ATOM 1460 CE1 HIS A 117 6.978 -13.361 -5.263 1.00 0.00 C ATOM 1461 NE2 HIS A 117 6.929 -12.813 -4.063 1.00 0.00 N ATOM 0 H HIS A 117 2.717 -13.836 -2.961 1.00 0.00 H new ATOM 0 HA HIS A 117 3.078 -11.032 -3.753 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.991 -13.629 -5.339 1.00 0.00 H new ATOM 0 HB3 HIS A 117 3.281 -12.044 -6.029 1.00 0.00 H new ATOM 0 HD1 HIS A 117 5.500 -13.728 -6.687 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.275 -11.982 -2.884 1.00 0.00 H new ATOM 0 HE1 HIS A 117 7.864 -13.742 -5.748 1.00 0.00 H new ATOM 1470 N THR A 118 0.439 -12.892 -4.471 1.00 0.00 N ATOM 1471 CA THR A 118 -0.968 -12.835 -4.848 1.00 0.00 C ATOM 1472 C THR A 118 -1.764 -11.996 -3.853 1.00 0.00 C ATOM 1473 O THR A 118 -2.646 -11.229 -4.238 1.00 0.00 O ATOM 1474 CB THR A 118 -1.587 -14.244 -4.927 1.00 0.00 C ATOM 1475 OG1 THR A 118 -0.868 -15.040 -5.877 1.00 0.00 O ATOM 1476 CG2 THR A 118 -3.053 -14.172 -5.329 1.00 0.00 C ATOM 0 H THR A 118 0.787 -13.833 -4.284 1.00 0.00 H new ATOM 0 HA THR A 118 -1.016 -12.372 -5.834 1.00 0.00 H new ATOM 0 HB THR A 118 -1.520 -14.702 -3.940 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.265 -15.935 -5.921 1.00 0.00 H new ATOM 0 HG21 THR A 118 -3.467 -15.179 -5.378 1.00 0.00 H new ATOM 0 HG22 THR A 118 -3.604 -13.588 -4.592 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.139 -13.697 -6.306 1.00 0.00 H new ATOM 1484 N GLN A 119 -1.443 -12.151 -2.573 1.00 0.00 N ATOM 1485 CA GLN A 119 -2.121 -11.415 -1.516 1.00 0.00 C ATOM 1486 C GLN A 119 -1.995 -9.908 -1.731 1.00 0.00 C ATOM 1487 O GLN A 119 -2.915 -9.151 -1.424 1.00 0.00 O ATOM 1488 CB GLN A 119 -1.542 -11.802 -0.155 1.00 0.00 C ATOM 1489 CG GLN A 119 -2.273 -11.177 1.020 1.00 0.00 C ATOM 1490 CD GLN A 119 -3.731 -11.587 1.086 1.00 0.00 C ATOM 1491 OE1 GLN A 119 -4.050 -12.771 1.206 1.00 0.00 O ATOM 1492 NE2 GLN A 119 -4.625 -10.610 1.005 1.00 0.00 N ATOM 0 H GLN A 119 -0.714 -12.783 -2.243 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.179 -11.675 -1.543 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -1.570 -12.887 -0.053 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -0.494 -11.506 -0.119 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -1.776 -11.465 1.947 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -2.208 -10.091 0.948 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -4.316 -9.643 0.906 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -5.621 -10.826 1.042 1.00 0.00 H new ATOM 1501 N VAL A 120 -0.849 -9.482 -2.256 1.00 0.00 N ATOM 1502 CA VAL A 120 -0.599 -8.065 -2.510 1.00 0.00 C ATOM 1503 C VAL A 120 -1.672 -7.464 -3.418 1.00 0.00 C ATOM 1504 O VAL A 120 -2.229 -6.408 -3.116 1.00 0.00 O ATOM 1505 CB VAL A 120 0.794 -7.848 -3.138 1.00 0.00 C ATOM 1506 CG1 VAL A 120 0.959 -6.418 -3.634 1.00 0.00 C ATOM 1507 CG2 VAL A 120 1.888 -8.203 -2.141 1.00 0.00 C ATOM 0 H VAL A 120 -0.078 -10.098 -2.514 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.633 -7.557 -1.546 1.00 0.00 H new ATOM 0 HB VAL A 120 0.882 -8.510 -4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 120 1.950 -6.297 -4.071 1.00 0.00 H new ATOM 0 HG12 VAL A 120 0.201 -6.205 -4.388 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.844 -5.728 -2.799 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.864 -8.044 -2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 120 1.795 -7.570 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.790 -9.249 -1.850 1.00 0.00 H new ATOM 1517 N GLN A 121 -1.961 -8.141 -4.525 1.00 0.00 N ATOM 1518 CA GLN A 121 -2.972 -7.666 -5.469 1.00 0.00 C ATOM 1519 C GLN A 121 -4.381 -7.856 -4.912 1.00 0.00 C ATOM 1520 O GLN A 121 -5.240 -6.988 -5.067 1.00 0.00 O ATOM 1521 CB GLN A 121 -2.840 -8.395 -6.807 1.00 0.00 C ATOM 1522 CG GLN A 121 -1.563 -8.055 -7.561 1.00 0.00 C ATOM 1523 CD GLN A 121 -1.421 -8.823 -8.865 1.00 0.00 C ATOM 1524 OE1 GLN A 121 -2.400 -9.666 -9.177 1.00 0.00 O flip ATOM 1525 NE2 GLN A 121 -0.437 -8.657 -9.587 1.00 0.00 N flip ATOM 0 H GLN A 121 -1.512 -9.017 -4.792 1.00 0.00 H new ATOM 0 HA GLN A 121 -2.805 -6.600 -5.625 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -2.873 -9.470 -6.631 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -3.698 -8.148 -7.432 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -1.546 -6.986 -7.772 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -0.704 -8.268 -6.925 1.00 0.00 H new ATOM 0 HE21 GLN A 121 0.293 -8.000 -9.311 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -0.352 -9.176 -10.461 1.00 0.00 H new ATOM 1534 N SER A 122 -4.611 -8.998 -4.272 1.00 0.00 N ATOM 1535 CA SER A 122 -5.917 -9.308 -3.698 1.00 0.00 C ATOM 1536 C SER A 122 -6.367 -8.218 -2.730 1.00 0.00 C ATOM 1537 O SER A 122 -7.520 -7.787 -2.759 1.00 0.00 O ATOM 1538 CB SER A 122 -5.873 -10.658 -2.979 1.00 0.00 C ATOM 1539 OG SER A 122 -5.518 -11.700 -3.870 1.00 0.00 O ATOM 0 H SER A 122 -3.909 -9.726 -4.137 1.00 0.00 H new ATOM 0 HA SER A 122 -6.638 -9.359 -4.514 1.00 0.00 H new ATOM 0 HB2 SER A 122 -5.154 -10.614 -2.161 1.00 0.00 H new ATOM 0 HB3 SER A 122 -6.846 -10.870 -2.537 1.00 0.00 H new ATOM 0 HG SER A 122 -4.561 -11.645 -4.073 1.00 0.00 H new ATOM 1545 N THR A 123 -5.451 -7.777 -1.876 1.00 0.00 N ATOM 1546 CA THR A 123 -5.753 -6.738 -0.899 1.00 0.00 C ATOM 1547 C THR A 123 -6.182 -5.447 -1.587 1.00 0.00 C ATOM 1548 O THR A 123 -7.137 -4.795 -1.165 1.00 0.00 O ATOM 1549 CB THR A 123 -4.539 -6.445 0.002 1.00 0.00 C ATOM 1550 OG1 THR A 123 -4.138 -7.638 0.685 1.00 0.00 O ATOM 1551 CG2 THR A 123 -4.865 -5.359 1.018 1.00 0.00 C ATOM 0 H THR A 123 -4.492 -8.123 -1.840 1.00 0.00 H new ATOM 0 HA THR A 123 -6.572 -7.110 -0.284 1.00 0.00 H new ATOM 0 HB THR A 123 -3.723 -6.095 -0.630 1.00 0.00 H new ATOM 0 HG1 THR A 123 -3.564 -8.173 0.099 1.00 0.00 H new ATOM 0 HG21 THR A 123 -3.991 -5.171 1.642 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.142 -4.443 0.496 1.00 0.00 H new ATOM 0 HG23 THR A 123 -5.695 -5.684 1.645 1.00 0.00 H new ATOM 1559 N LEU A 124 -5.468 -5.085 -2.647 1.00 0.00 N ATOM 1560 CA LEU A 124 -5.770 -3.872 -3.397 1.00 0.00 C ATOM 1561 C LEU A 124 -7.206 -3.892 -3.912 1.00 0.00 C ATOM 1562 O LEU A 124 -7.926 -2.899 -3.809 1.00 0.00 O ATOM 1563 CB LEU A 124 -4.795 -3.716 -4.567 1.00 0.00 C ATOM 1564 CG LEU A 124 -3.323 -3.552 -4.174 1.00 0.00 C ATOM 1565 CD1 LEU A 124 -2.453 -3.428 -5.415 1.00 0.00 C ATOM 1566 CD2 LEU A 124 -3.142 -2.341 -3.270 1.00 0.00 C ATOM 0 H LEU A 124 -4.675 -5.616 -3.007 1.00 0.00 H new ATOM 0 HA LEU A 124 -5.659 -3.021 -2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -4.886 -4.589 -5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -5.096 -2.850 -5.156 1.00 0.00 H new ATOM 0 HG LEU A 124 -3.012 -4.439 -3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -1.411 -3.312 -5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -2.559 -4.325 -6.025 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.765 -2.558 -5.992 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -2.090 -2.241 -3.002 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.469 -1.443 -3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.737 -2.470 -2.366 1.00 0.00 H new ATOM 1578 N ILE A 125 -7.619 -5.029 -4.464 1.00 0.00 N ATOM 1579 CA ILE A 125 -8.970 -5.176 -4.995 1.00 0.00 C ATOM 1580 C ILE A 125 -10.016 -4.932 -3.911 1.00 0.00 C ATOM 1581 O ILE A 125 -11.016 -4.253 -4.141 1.00 0.00 O ATOM 1582 CB ILE A 125 -9.187 -6.575 -5.603 1.00 0.00 C ATOM 1583 CG1 ILE A 125 -8.162 -6.837 -6.711 1.00 0.00 C ATOM 1584 CG2 ILE A 125 -10.606 -6.706 -6.140 1.00 0.00 C ATOM 1585 CD1 ILE A 125 -8.274 -8.212 -7.333 1.00 0.00 C ATOM 0 H ILE A 125 -7.037 -5.862 -4.555 1.00 0.00 H new ATOM 0 HA ILE A 125 -9.085 -4.428 -5.780 1.00 0.00 H new ATOM 0 HB ILE A 125 -9.047 -7.322 -4.821 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -8.283 -6.085 -7.490 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.159 -6.714 -6.302 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -10.743 -7.700 -6.566 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -11.318 -6.558 -5.328 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -10.774 -5.954 -6.911 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -7.516 -8.323 -8.109 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -8.123 -8.972 -6.566 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -9.264 -8.333 -7.773 1.00 0.00 H new ATOM 1597 N ALA A 126 -9.778 -5.491 -2.727 1.00 0.00 N ATOM 1598 CA ALA A 126 -10.699 -5.335 -1.607 1.00 0.00 C ATOM 1599 C ALA A 126 -10.839 -3.868 -1.210 1.00 0.00 C ATOM 1600 O ALA A 126 -11.944 -3.381 -0.977 1.00 0.00 O ATOM 1601 CB ALA A 126 -10.232 -6.164 -0.420 1.00 0.00 C ATOM 0 H ALA A 126 -8.955 -6.056 -2.520 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.679 -5.693 -1.922 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -10.929 -6.038 0.409 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -10.192 -7.216 -0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -9.240 -5.833 -0.113 1.00 0.00 H new ATOM 1607 N LEU A 127 -9.709 -3.172 -1.133 1.00 0.00 N ATOM 1608 CA LEU A 127 -9.698 -1.761 -0.764 1.00 0.00 C ATOM 1609 C LEU A 127 -10.523 -0.935 -1.747 1.00 0.00 C ATOM 1610 O LEU A 127 -11.144 0.059 -1.369 1.00 0.00 O ATOM 1611 CB LEU A 127 -8.262 -1.235 -0.713 1.00 0.00 C ATOM 1612 CG LEU A 127 -8.120 0.232 -0.295 1.00 0.00 C ATOM 1613 CD1 LEU A 127 -8.739 0.462 1.076 1.00 0.00 C ATOM 1614 CD2 LEU A 127 -6.657 0.647 -0.296 1.00 0.00 C ATOM 0 H LEU A 127 -8.786 -3.564 -1.322 1.00 0.00 H new ATOM 0 HA LEU A 127 -10.145 -1.667 0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -7.691 -1.851 -0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.810 -1.361 -1.697 1.00 0.00 H new ATOM 0 HG LEU A 127 -8.654 0.848 -1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -8.628 1.510 1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -9.798 0.205 1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -8.235 -0.164 1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.575 1.692 0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.102 0.024 0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.244 0.523 -1.297 1.00 0.00 H new ATOM 1626 N ALA A 128 -10.522 -1.355 -3.008 1.00 0.00 N ATOM 1627 CA ALA A 128 -11.267 -0.659 -4.051 1.00 0.00 C ATOM 1628 C ALA A 128 -12.736 -0.526 -3.674 1.00 0.00 C ATOM 1629 O ALA A 128 -13.351 0.520 -3.889 1.00 0.00 O ATOM 1630 CB ALA A 128 -11.124 -1.387 -5.379 1.00 0.00 C ATOM 0 H ALA A 128 -10.012 -2.176 -3.333 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.851 0.343 -4.155 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -11.685 -0.856 -6.147 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -10.072 -1.427 -5.661 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -11.512 -2.401 -5.282 1.00 0.00 H new ATOM 1636 N SER A 129 -13.292 -1.589 -3.104 1.00 0.00 N ATOM 1637 CA SER A 129 -14.689 -1.593 -2.686 1.00 0.00 C ATOM 1638 C SER A 129 -14.965 -0.433 -1.738 1.00 0.00 C ATOM 1639 O SER A 129 -16.028 0.188 -1.792 1.00 0.00 O ATOM 1640 CB SER A 129 -15.040 -2.918 -2.007 1.00 0.00 C ATOM 1641 OG SER A 129 -14.834 -4.012 -2.885 1.00 0.00 O ATOM 0 H SER A 129 -12.795 -2.461 -2.920 1.00 0.00 H new ATOM 0 HA SER A 129 -15.312 -1.477 -3.573 1.00 0.00 H new ATOM 0 HB2 SER A 129 -14.429 -3.045 -1.113 1.00 0.00 H new ATOM 0 HB3 SER A 129 -16.080 -2.899 -1.682 1.00 0.00 H new ATOM 0 HG SER A 129 -15.064 -4.847 -2.427 1.00 0.00 H new ATOM 1647 N GLN A 130 -13.997 -0.142 -0.874 1.00 0.00 N ATOM 1648 CA GLN A 130 -14.123 0.944 0.082 1.00 0.00 C ATOM 1649 C GLN A 130 -14.162 2.294 -0.619 1.00 0.00 C ATOM 1650 O GLN A 130 -15.024 3.128 -0.340 1.00 0.00 O ATOM 1651 CB GLN A 130 -12.956 0.901 1.057 1.00 0.00 C ATOM 1652 CG GLN A 130 -13.235 0.107 2.325 1.00 0.00 C ATOM 1653 CD GLN A 130 -13.586 -1.342 2.062 1.00 0.00 C ATOM 1654 OE1 GLN A 130 -14.534 -1.648 1.338 1.00 0.00 O ATOM 1655 NE2 GLN A 130 -12.828 -2.245 2.666 1.00 0.00 N ATOM 0 H GLN A 130 -13.113 -0.649 -0.820 1.00 0.00 H new ATOM 0 HA GLN A 130 -15.061 0.818 0.623 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -12.091 0.469 0.553 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -12.688 1.921 1.332 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -12.358 0.149 2.972 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -14.054 0.579 2.867 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -12.052 -1.947 3.257 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -13.020 -3.239 2.540 1.00 0.00 H new ATOM 1664 N ALA A 131 -13.216 2.504 -1.525 1.00 0.00 N ATOM 1665 CA ALA A 131 -13.126 3.753 -2.268 1.00 0.00 C ATOM 1666 C ALA A 131 -14.154 3.807 -3.396 1.00 0.00 C ATOM 1667 O ALA A 131 -13.860 4.281 -4.494 1.00 0.00 O ATOM 1668 CB ALA A 131 -11.719 3.924 -2.816 1.00 0.00 C ATOM 0 H ALA A 131 -12.497 1.821 -1.764 1.00 0.00 H new ATOM 0 HA ALA A 131 -13.347 4.574 -1.586 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -11.656 4.860 -3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -11.007 3.943 -1.991 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -11.483 3.092 -3.479 1.00 0.00 H new ATOM 1674 N LYS A 132 -15.360 3.322 -3.118 1.00 0.00 N ATOM 1675 CA LYS A 132 -16.431 3.322 -4.108 1.00 0.00 C ATOM 1676 C LYS A 132 -16.895 4.744 -4.405 1.00 0.00 C ATOM 1677 O LYS A 132 -17.101 5.110 -5.563 1.00 0.00 O ATOM 1678 CB LYS A 132 -17.608 2.473 -3.620 1.00 0.00 C ATOM 1679 CG LYS A 132 -18.186 2.935 -2.291 1.00 0.00 C ATOM 1680 CD LYS A 132 -19.351 2.064 -1.838 1.00 0.00 C ATOM 1681 CE LYS A 132 -20.574 2.229 -2.731 1.00 0.00 C ATOM 1682 NZ LYS A 132 -20.341 1.721 -4.111 1.00 0.00 N ATOM 0 H LYS A 132 -15.620 2.924 -2.216 1.00 0.00 H new ATOM 0 HA LYS A 132 -16.042 2.888 -5.029 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -18.395 2.491 -4.374 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -17.282 1.437 -3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -17.405 2.918 -1.531 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -18.521 3.968 -2.381 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -19.042 1.019 -1.837 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -19.615 2.319 -0.812 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -21.418 1.699 -2.289 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -20.848 3.283 -2.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -21.218 1.301 -4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -20.049 2.507 -4.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -19.593 0.999 -4.093 1.00 0.00 H new ATOM 1696 N THR A 133 -17.056 5.540 -3.351 1.00 0.00 N ATOM 1697 CA THR A 133 -17.494 6.924 -3.494 1.00 0.00 C ATOM 1698 C THR A 133 -17.503 7.637 -2.143 1.00 0.00 C ATOM 1699 O THR A 133 -18.426 8.388 -1.828 1.00 0.00 O ATOM 1700 CB THR A 133 -18.901 7.006 -4.122 1.00 0.00 C ATOM 1701 OG1 THR A 133 -19.308 8.374 -4.243 1.00 0.00 O ATOM 1702 CG2 THR A 133 -19.916 6.241 -3.285 1.00 0.00 C ATOM 0 H THR A 133 -16.889 5.249 -2.388 1.00 0.00 H new ATOM 0 HA THR A 133 -16.783 7.418 -4.156 1.00 0.00 H new ATOM 0 HB THR A 133 -18.856 6.553 -5.112 1.00 0.00 H new ATOM 0 HG1 THR A 133 -19.338 8.786 -3.354 1.00 0.00 H new ATOM 0 HG21 THR A 133 -20.900 6.314 -3.749 1.00 0.00 H new ATOM 0 HG22 THR A 133 -19.621 5.193 -3.223 1.00 0.00 H new ATOM 0 HG23 THR A 133 -19.955 6.667 -2.282 1.00 0.00 H new ATOM 1710 N LYS A 134 -16.463 7.399 -1.348 1.00 0.00 N ATOM 1711 CA LYS A 134 -16.347 8.019 -0.033 1.00 0.00 C ATOM 1712 C LYS A 134 -16.307 9.540 -0.151 1.00 0.00 C ATOM 1713 O LYS A 134 -17.084 10.209 0.563 1.00 0.00 O ATOM 1714 CB LYS A 134 -15.090 7.520 0.684 1.00 0.00 C ATOM 1715 CG LYS A 134 -15.104 6.028 0.984 1.00 0.00 C ATOM 1716 CD LYS A 134 -16.235 5.654 1.922 1.00 0.00 C ATOM 1717 CE LYS A 134 -16.187 4.179 2.278 1.00 0.00 C ATOM 1718 NZ LYS A 134 -14.924 3.815 2.977 1.00 0.00 N ATOM 1719 OXT LYS A 134 -15.499 10.049 -0.956 1.00 0.00 O ATOM 0 H LYS A 134 -15.689 6.781 -1.592 1.00 0.00 H new ATOM 0 HA LYS A 134 -17.224 7.738 0.550 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -14.218 7.749 0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -14.975 8.068 1.619 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -15.205 5.471 0.053 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -14.152 5.737 1.428 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -16.170 6.253 2.831 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -17.191 5.887 1.454 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -17.037 3.932 2.913 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -16.284 3.584 1.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -14.415 3.096 2.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -14.327 4.661 3.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -15.146 3.433 3.919 1.00 0.00 H new TER 1733 LYS A 134