USER MOD reduce.3.24.130724 H: found=0, std=0, add=1150, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1150 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 31 GLN : amide:sc= -0.0127 X(o=-0.026,f=0) USER MOD Set 1.2: B 31 GLN : amide:sc= -0.013 X(o=-0.026,f=-0.12) USER MOD Single : A 17 GLN : amide:sc= -0.582 K(o=-0.58,f=-4.4!) USER MOD Single : A 18 THR OG1 : rot -148:sc= -2.65! USER MOD Single : A 19 THR OG1 : rot 92:sc= 0.293 USER MOD Single : A 20 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.8) USER MOD Single : A 23 HIS : no HD1:sc= -3.66! C(o=-3.7!,f=-14!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -145:sc= 0 (180deg=-0.285) USER MOD Single : A 28 SER OG : rot -130:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0.42) USER MOD Single : A 38 GLN : amide:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 40 SER OG : rot -54:sc= 0.206 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 158:sc= -0.0598 (180deg=-0.456) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 168:sc= -0.0133 (180deg=-0.146) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.0332 K(o=-0.033,f=-1.2!) USER MOD Single : A 76 LYS NZ :NH3+ 128:sc= -0.0583 (180deg=-0.555) USER MOD Single : A 78 ASN : amide:sc= -1.23! K(o=-1.2!,f=-0.035) USER MOD Single : B 17 GLN : amide:sc= -0.428 K(o=-0.43,f=-4.3!) USER MOD Single : B 18 THR OG1 : rot -130:sc= -2.51! USER MOD Single : B 19 THR OG1 : rot 91:sc= 0.301 USER MOD Single : B 20 GLN : amide:sc= -1.11 K(o=-1.1,f=-2.8!) USER MOD Single : B 23 HIS : no HD1:sc= -3.58! C(o=-3.6!,f=-14!) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 MET CE :methyl -171:sc= 0 (180deg=-0.00933) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 29 ASN : amide:sc= -0.264 X(o=-0.26,f=-0.14) USER MOD Single : B 38 GLN : amide:sc= -0.0219 X(o=-0.022,f=0) USER MOD Single : B 40 SER OG : rot -59:sc= 0.108 USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 SER OG : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 167:sc= -0.0254 (180deg=-0.22) USER MOD Single : B 50 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 LYS NZ :NH3+ 169:sc=-0.000172 (180deg=-0.149) USER MOD Single : B 68 GLN : amide:sc=-0.00855 X(o=-0.0086,f=0) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 76 LYS NZ :NH3+ 160:sc= -0.0575 (180deg=-0.379) USER MOD Single : B 78 ASN : amide:sc= -0.863 K(o=-0.86,f=-0.0089) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -7.348 -18.534 15.517 1.00 0.81 N ATOM 2 CA LEU A 8 -7.954 -19.017 14.254 1.00 0.78 C ATOM 3 C LEU A 8 -9.419 -19.444 14.499 1.00 0.78 C ATOM 4 O LEU A 8 -9.733 -20.584 14.831 1.00 0.80 O ATOM 5 CB LEU A 8 -7.098 -20.162 13.686 1.00 0.80 C ATOM 6 CG LEU A 8 -7.501 -20.670 12.288 1.00 0.78 C ATOM 7 CD1 LEU A 8 -6.292 -21.337 11.635 1.00 0.80 C ATOM 8 CD2 LEU A 8 -8.611 -21.727 12.317 1.00 0.78 C ATOM 0 HA LEU A 8 -7.974 -18.216 13.515 1.00 0.78 H new ATOM 0 HB2 LEU A 8 -6.061 -19.830 13.646 1.00 0.80 H new ATOM 0 HB3 LEU A 8 -7.138 -21.000 14.382 1.00 0.80 H new ATOM 0 HG LEU A 8 -7.861 -19.798 11.742 1.00 0.78 H new ATOM 0 HD11 LEU A 8 -6.567 -21.700 10.645 1.00 0.80 H new ATOM 0 HD12 LEU A 8 -5.482 -20.613 11.544 1.00 0.80 H new ATOM 0 HD13 LEU A 8 -5.962 -22.175 12.250 1.00 0.80 H new ATOM 0 HD21 LEU A 8 -8.843 -22.039 11.299 1.00 0.78 H new ATOM 0 HD22 LEU A 8 -8.277 -22.590 12.893 1.00 0.78 H new ATOM 0 HD23 LEU A 8 -9.503 -21.305 12.780 1.00 0.78 H new ATOM 20 N ARG A 9 -10.259 -18.424 14.558 1.00 0.76 N ATOM 21 CA ARG A 9 -11.703 -18.626 14.786 1.00 0.76 C ATOM 22 C ARG A 9 -12.542 -17.837 13.784 1.00 0.72 C ATOM 23 O ARG A 9 -13.223 -18.415 12.941 1.00 0.71 O ATOM 24 CB ARG A 9 -12.092 -18.351 16.251 1.00 0.79 C ATOM 25 CG ARG A 9 -11.747 -16.943 16.742 1.00 0.78 C ATOM 26 CD ARG A 9 -12.342 -16.660 18.118 1.00 0.82 C ATOM 27 NE ARG A 9 -12.054 -15.263 18.497 1.00 0.81 N ATOM 28 CZ ARG A 9 -10.887 -14.771 18.915 1.00 0.83 C ATOM 29 NH1 ARG A 9 -9.806 -15.535 19.029 1.00 0.84 N ATOM 30 NH2 ARG A 9 -10.798 -13.497 19.271 1.00 0.83 N ATOM 0 H ARG A 9 -9.980 -17.448 14.453 1.00 0.76 H new ATOM 0 HA ARG A 9 -11.926 -19.678 14.609 1.00 0.76 H new ATOM 0 HB2 ARG A 9 -13.164 -18.510 16.366 1.00 0.79 H new ATOM 0 HB3 ARG A 9 -11.591 -19.078 16.890 1.00 0.79 H new ATOM 0 HG2 ARG A 9 -10.664 -16.828 16.784 1.00 0.78 H new ATOM 0 HG3 ARG A 9 -12.118 -16.208 16.028 1.00 0.78 H new ATOM 0 HD2 ARG A 9 -13.419 -16.830 18.103 1.00 0.82 H new ATOM 0 HD3 ARG A 9 -11.921 -17.343 18.856 1.00 0.82 H new ATOM 0 HE ARG A 9 -12.830 -14.604 18.432 1.00 0.81 H new ATOM 0 HH11 ARG A 9 -9.855 -16.526 18.794 1.00 0.84 H new ATOM 0 HH12 ARG A 9 -8.927 -15.130 19.351 1.00 0.84 H new ATOM 0 HH21 ARG A 9 -11.621 -12.896 19.225 1.00 0.83 H new ATOM 0 HH22 ARG A 9 -9.907 -13.118 19.591 1.00 0.83 H new ATOM 44 N GLU A 10 -12.441 -16.508 13.866 1.00 0.70 N ATOM 45 CA GLU A 10 -13.263 -15.573 13.087 1.00 0.67 C ATOM 46 C GLU A 10 -12.515 -14.257 12.870 1.00 0.65 C ATOM 47 O GLU A 10 -12.108 -13.594 13.825 1.00 0.67 O ATOM 48 CB GLU A 10 -14.567 -15.274 13.831 1.00 0.69 C ATOM 49 CG GLU A 10 -15.468 -16.507 13.967 1.00 0.71 C ATOM 50 CD GLU A 10 -16.803 -16.217 14.654 1.00 0.73 C ATOM 51 OE1 GLU A 10 -17.270 -15.059 14.552 1.00 0.72 O ATOM 52 OE2 GLU A 10 -17.343 -17.171 15.251 1.00 0.76 O ATOM 0 H GLU A 10 -11.777 -16.042 14.484 1.00 0.70 H new ATOM 0 HA GLU A 10 -13.480 -16.035 12.124 1.00 0.67 H new ATOM 0 HB2 GLU A 10 -14.334 -14.889 14.824 1.00 0.69 H new ATOM 0 HB3 GLU A 10 -15.109 -14.489 13.304 1.00 0.69 H new ATOM 0 HG2 GLU A 10 -15.661 -16.917 12.976 1.00 0.71 H new ATOM 0 HG3 GLU A 10 -14.937 -17.274 14.531 1.00 0.71 H new ATOM 59 N LEU A 11 -12.223 -14.011 11.606 1.00 0.62 N ATOM 60 CA LEU A 11 -11.528 -12.788 11.173 1.00 0.60 C ATOM 61 C LEU A 11 -12.334 -12.077 10.084 1.00 0.57 C ATOM 62 O LEU A 11 -12.898 -12.714 9.193 1.00 0.56 O ATOM 63 CB LEU A 11 -10.140 -13.153 10.648 1.00 0.60 C ATOM 64 CG LEU A 11 -9.267 -13.758 11.747 1.00 0.63 C ATOM 65 CD1 LEU A 11 -8.733 -15.117 11.301 1.00 0.65 C ATOM 66 CD2 LEU A 11 -8.127 -12.804 12.103 1.00 0.64 C ATOM 0 H LEU A 11 -12.456 -14.646 10.842 1.00 0.62 H new ATOM 0 HA LEU A 11 -11.427 -12.113 12.023 1.00 0.60 H new ATOM 0 HB2 LEU A 11 -10.236 -13.862 9.826 1.00 0.60 H new ATOM 0 HB3 LEU A 11 -9.656 -12.263 10.246 1.00 0.60 H new ATOM 0 HG LEU A 11 -9.870 -13.907 12.642 1.00 0.63 H new ATOM 0 HD11 LEU A 11 -8.112 -15.541 12.090 1.00 0.65 H new ATOM 0 HD12 LEU A 11 -9.568 -15.787 11.097 1.00 0.65 H new ATOM 0 HD13 LEU A 11 -8.137 -14.995 10.397 1.00 0.65 H new ATOM 0 HD21 LEU A 11 -7.513 -13.247 12.887 1.00 0.64 H new ATOM 0 HD22 LEU A 11 -7.514 -12.624 11.220 1.00 0.64 H new ATOM 0 HD23 LEU A 11 -8.540 -11.859 12.456 1.00 0.64 H new ATOM 78 N ARG A 12 -12.343 -10.763 10.194 1.00 0.56 N ATOM 79 CA ARG A 12 -13.130 -9.894 9.299 1.00 0.54 C ATOM 80 C ARG A 12 -12.171 -9.204 8.335 1.00 0.51 C ATOM 81 O ARG A 12 -11.039 -8.879 8.700 1.00 0.51 O ATOM 82 CB ARG A 12 -13.873 -8.830 10.128 1.00 0.55 C ATOM 83 CG ARG A 12 -14.563 -9.358 11.395 1.00 0.59 C ATOM 84 CD ARG A 12 -15.441 -10.570 11.084 1.00 0.59 C ATOM 85 NE ARG A 12 -16.208 -10.993 12.257 1.00 0.63 N ATOM 86 CZ ARG A 12 -17.516 -10.796 12.326 1.00 0.65 C ATOM 87 NH1 ARG A 12 -18.000 -9.618 12.694 1.00 0.66 N ATOM 88 NH2 ARG A 12 -18.337 -11.810 12.121 1.00 0.66 N ATOM 0 H ARG A 12 -11.811 -10.255 10.900 1.00 0.56 H new ATOM 0 HA ARG A 12 -13.859 -10.489 8.749 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -13.163 -8.054 10.416 1.00 0.55 H new ATOM 0 HB3 ARG A 12 -14.623 -8.356 9.495 1.00 0.55 H new ATOM 0 HG2 ARG A 12 -13.810 -9.631 12.135 1.00 0.59 H new ATOM 0 HG3 ARG A 12 -15.172 -8.569 11.836 1.00 0.59 H new ATOM 0 HD2 ARG A 12 -16.124 -10.326 10.270 1.00 0.59 H new ATOM 0 HD3 ARG A 12 -14.816 -11.394 10.740 1.00 0.59 H new ATOM 0 HE ARG A 12 -15.727 -11.447 13.034 1.00 0.63 H new ATOM 0 HH11 ARG A 12 -17.364 -8.855 12.926 1.00 0.66 H new ATOM 0 HH12 ARG A 12 -19.009 -9.474 12.745 1.00 0.66 H new ATOM 0 HH21 ARG A 12 -17.962 -12.735 11.912 1.00 0.66 H new ATOM 0 HH22 ARG A 12 -19.346 -11.668 12.172 1.00 0.66 H new ATOM 102 N CYS A 13 -12.639 -8.973 7.112 1.00 0.49 N ATOM 103 CA CYS A 13 -11.879 -8.180 6.128 1.00 0.47 C ATOM 104 C CYS A 13 -11.527 -6.806 6.724 1.00 0.47 C ATOM 105 O CYS A 13 -12.247 -6.288 7.577 1.00 0.48 O ATOM 106 CB CYS A 13 -12.723 -7.992 4.868 1.00 0.47 C ATOM 107 SG CYS A 13 -12.823 -9.471 3.794 1.00 0.48 S ATOM 0 H CYS A 13 -13.536 -9.318 6.771 1.00 0.49 H new ATOM 0 HA CYS A 13 -10.958 -8.705 5.875 1.00 0.47 H new ATOM 0 HB2 CYS A 13 -13.732 -7.703 5.162 1.00 0.47 H new ATOM 0 HB3 CYS A 13 -12.310 -7.166 4.289 1.00 0.47 H new ATOM 112 N VAL A 14 -10.410 -6.245 6.267 1.00 0.45 N ATOM 113 CA VAL A 14 -9.977 -4.898 6.719 1.00 0.45 C ATOM 114 C VAL A 14 -11.034 -3.821 6.383 1.00 0.44 C ATOM 115 O VAL A 14 -11.182 -2.824 7.084 1.00 0.45 O ATOM 116 CB VAL A 14 -8.559 -4.554 6.200 1.00 0.44 C ATOM 117 CG1 VAL A 14 -8.433 -4.410 4.680 1.00 0.43 C ATOM 118 CG2 VAL A 14 -8.002 -3.292 6.860 1.00 0.45 C ATOM 0 H VAL A 14 -9.785 -6.685 5.591 1.00 0.45 H new ATOM 0 HA VAL A 14 -9.901 -4.913 7.806 1.00 0.45 H new ATOM 0 HB VAL A 14 -7.971 -5.427 6.482 1.00 0.44 H new ATOM 0 HG11 VAL A 14 -7.402 -4.169 4.422 1.00 0.43 H new ATOM 0 HG12 VAL A 14 -8.718 -5.347 4.201 1.00 0.43 H new ATOM 0 HG13 VAL A 14 -9.090 -3.612 4.334 1.00 0.43 H new ATOM 0 HG21 VAL A 14 -7.006 -3.086 6.468 1.00 0.45 H new ATOM 0 HG22 VAL A 14 -8.658 -2.449 6.645 1.00 0.45 H new ATOM 0 HG23 VAL A 14 -7.944 -3.441 7.938 1.00 0.45 H new ATOM 128 N CYS A 15 -11.741 -4.063 5.284 1.00 0.44 N ATOM 129 CA CYS A 15 -12.815 -3.200 4.771 1.00 0.44 C ATOM 130 C CYS A 15 -14.146 -3.942 4.723 1.00 0.46 C ATOM 131 O CYS A 15 -14.343 -4.838 3.902 1.00 0.46 O ATOM 132 CB CYS A 15 -12.483 -2.748 3.352 1.00 0.43 C ATOM 133 SG CYS A 15 -11.169 -1.496 3.303 1.00 0.42 S ATOM 0 H CYS A 15 -11.583 -4.887 4.704 1.00 0.44 H new ATOM 0 HA CYS A 15 -12.897 -2.346 5.444 1.00 0.44 H new ATOM 0 HB2 CYS A 15 -12.178 -3.612 2.762 1.00 0.43 H new ATOM 0 HB3 CYS A 15 -13.381 -2.344 2.884 1.00 0.43 H new ATOM 138 N LEU A 16 -14.996 -3.613 5.686 1.00 0.48 N ATOM 139 CA LEU A 16 -16.368 -4.157 5.725 1.00 0.51 C ATOM 140 C LEU A 16 -17.358 -3.404 4.822 1.00 0.53 C ATOM 141 O LEU A 16 -18.264 -4.003 4.235 1.00 0.55 O ATOM 142 CB LEU A 16 -16.884 -4.215 7.168 1.00 0.54 C ATOM 143 CG LEU A 16 -16.096 -5.208 8.038 1.00 0.53 C ATOM 144 CD1 LEU A 16 -16.618 -5.156 9.473 1.00 0.57 C ATOM 145 CD2 LEU A 16 -16.190 -6.644 7.502 1.00 0.53 C ATOM 0 H LEU A 16 -14.772 -2.977 6.451 1.00 0.48 H new ATOM 0 HA LEU A 16 -16.305 -5.168 5.322 1.00 0.51 H new ATOM 0 HB2 LEU A 16 -16.824 -3.221 7.612 1.00 0.54 H new ATOM 0 HB3 LEU A 16 -17.937 -4.498 7.163 1.00 0.54 H new ATOM 0 HG LEU A 16 -15.046 -4.915 8.010 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -16.059 -5.860 10.089 1.00 0.57 H new ATOM 0 HD12 LEU A 16 -16.493 -4.148 9.869 1.00 0.57 H new ATOM 0 HD13 LEU A 16 -17.675 -5.422 9.486 1.00 0.57 H new ATOM 0 HD21 LEU A 16 -15.619 -7.311 8.147 1.00 0.53 H new ATOM 0 HD22 LEU A 16 -17.233 -6.959 7.487 1.00 0.53 H new ATOM 0 HD23 LEU A 16 -15.785 -6.682 6.491 1.00 0.53 H new ATOM 157 N GLN A 17 -17.145 -2.113 4.696 1.00 0.53 N ATOM 158 CA GLN A 17 -17.976 -1.199 3.899 1.00 0.55 C ATOM 159 C GLN A 17 -17.185 -0.694 2.680 1.00 0.53 C ATOM 160 O GLN A 17 -16.018 -1.027 2.479 1.00 0.50 O ATOM 161 CB GLN A 17 -18.478 -0.033 4.773 1.00 0.57 C ATOM 162 CG GLN A 17 -17.413 0.981 5.224 1.00 0.56 C ATOM 163 CD GLN A 17 -16.408 0.461 6.261 1.00 0.54 C ATOM 164 OE1 GLN A 17 -16.465 -0.620 6.825 1.00 0.54 O ATOM 165 NE2 GLN A 17 -15.432 1.277 6.568 1.00 0.53 N ATOM 0 H GLN A 17 -16.366 -1.642 5.156 1.00 0.53 H new ATOM 0 HA GLN A 17 -18.850 -1.736 3.531 1.00 0.55 H new ATOM 0 HB2 GLN A 17 -19.250 0.503 4.220 1.00 0.57 H new ATOM 0 HB3 GLN A 17 -18.953 -0.450 5.661 1.00 0.57 H new ATOM 0 HG2 GLN A 17 -16.862 1.319 4.346 1.00 0.56 H new ATOM 0 HG3 GLN A 17 -17.918 1.853 5.638 1.00 0.56 H new ATOM 0 HE21 GLN A 17 -15.364 2.186 6.110 1.00 0.53 H new ATOM 0 HE22 GLN A 17 -14.739 1.004 7.265 1.00 0.53 H new ATOM 174 N THR A 18 -17.857 0.157 1.925 1.00 0.56 N ATOM 175 CA THR A 18 -17.291 0.791 0.722 1.00 0.55 C ATOM 176 C THR A 18 -17.472 2.318 0.756 1.00 0.57 C ATOM 177 O THR A 18 -17.974 2.886 1.730 1.00 0.58 O ATOM 178 CB THR A 18 -17.932 0.127 -0.508 1.00 0.57 C ATOM 179 OG1 THR A 18 -17.285 0.620 -1.678 1.00 0.57 O ATOM 180 CG2 THR A 18 -19.450 0.335 -0.612 1.00 0.62 C ATOM 0 H THR A 18 -18.818 0.437 2.121 1.00 0.56 H new ATOM 0 HA THR A 18 -16.213 0.638 0.676 1.00 0.55 H new ATOM 0 HB THR A 18 -17.793 -0.949 -0.403 1.00 0.57 H new ATOM 0 HG1 THR A 18 -17.926 0.648 -2.419 1.00 0.57 H new ATOM 0 HG21 THR A 18 -19.825 -0.164 -1.506 1.00 0.62 H new ATOM 0 HG22 THR A 18 -19.936 -0.085 0.269 1.00 0.62 H new ATOM 0 HG23 THR A 18 -19.668 1.401 -0.673 1.00 0.62 H new ATOM 188 N THR A 19 -17.151 2.962 -0.361 1.00 0.57 N ATOM 189 CA THR A 19 -17.240 4.414 -0.573 1.00 0.59 C ATOM 190 C THR A 19 -17.326 4.729 -2.078 1.00 0.61 C ATOM 191 O THR A 19 -16.835 3.979 -2.930 1.00 0.60 O ATOM 192 CB THR A 19 -16.020 5.113 0.069 1.00 0.56 C ATOM 193 OG1 THR A 19 -15.970 4.811 1.467 1.00 0.55 O ATOM 194 CG2 THR A 19 -16.032 6.638 -0.074 1.00 0.58 C ATOM 0 H THR A 19 -16.805 2.469 -1.185 1.00 0.57 H new ATOM 0 HA THR A 19 -18.145 4.791 -0.097 1.00 0.59 H new ATOM 0 HB THR A 19 -15.149 4.733 -0.466 1.00 0.56 H new ATOM 0 HG1 THR A 19 -15.419 4.013 1.610 1.00 0.55 H new ATOM 0 HG21 THR A 19 -15.144 7.055 0.401 1.00 0.58 H new ATOM 0 HG22 THR A 19 -16.037 6.904 -1.131 1.00 0.58 H new ATOM 0 HG23 THR A 19 -16.924 7.041 0.406 1.00 0.58 H new ATOM 202 N GLN A 20 -17.965 5.856 -2.350 1.00 0.65 N ATOM 203 CA GLN A 20 -18.144 6.430 -3.687 1.00 0.68 C ATOM 204 C GLN A 20 -17.703 7.897 -3.748 1.00 0.68 C ATOM 205 O GLN A 20 -18.490 8.843 -3.791 1.00 0.72 O ATOM 206 CB GLN A 20 -19.585 6.226 -4.192 1.00 0.72 C ATOM 207 CG GLN A 20 -20.713 6.935 -3.432 1.00 0.75 C ATOM 208 CD GLN A 20 -20.925 6.476 -1.988 1.00 0.74 C ATOM 209 OE1 GLN A 20 -20.478 5.453 -1.492 1.00 0.71 O ATOM 210 NE2 GLN A 20 -21.702 7.242 -1.268 1.00 0.76 N ATOM 0 H GLN A 20 -18.393 6.424 -1.619 1.00 0.65 H new ATOM 0 HA GLN A 20 -17.487 5.889 -4.368 1.00 0.68 H new ATOM 0 HB2 GLN A 20 -19.625 6.551 -5.232 1.00 0.72 H new ATOM 0 HB3 GLN A 20 -19.795 5.157 -4.184 1.00 0.72 H new ATOM 0 HG2 GLN A 20 -20.508 8.005 -3.428 1.00 0.75 H new ATOM 0 HG3 GLN A 20 -21.644 6.791 -3.981 1.00 0.75 H new ATOM 0 HE21 GLN A 20 -22.084 8.100 -1.667 1.00 0.76 H new ATOM 0 HE22 GLN A 20 -21.926 6.982 -0.308 1.00 0.76 H new ATOM 219 N GLY A 21 -16.382 8.051 -3.696 1.00 0.65 N ATOM 220 CA GLY A 21 -15.799 9.380 -3.868 1.00 0.65 C ATOM 221 C GLY A 21 -15.638 9.721 -5.364 1.00 0.68 C ATOM 222 O GLY A 21 -15.874 8.857 -6.199 1.00 0.69 O ATOM 0 H GLY A 21 -15.712 7.298 -3.541 1.00 0.65 H new ATOM 0 HA2 GLY A 21 -16.433 10.125 -3.387 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -14.828 9.422 -3.375 1.00 0.65 H new ATOM 226 N VAL A 22 -15.080 10.856 -5.772 1.00 0.69 N ATOM 227 CA VAL A 22 -14.354 11.993 -5.132 1.00 0.68 C ATOM 228 C VAL A 22 -13.172 12.335 -6.065 1.00 0.67 C ATOM 229 O VAL A 22 -13.034 11.755 -7.137 1.00 0.68 O ATOM 230 CB VAL A 22 -13.875 11.771 -3.668 1.00 0.64 C ATOM 231 CG1 VAL A 22 -12.710 10.780 -3.507 1.00 0.60 C ATOM 232 CG2 VAL A 22 -13.649 13.079 -2.901 1.00 0.65 C ATOM 0 H VAL A 22 -15.132 11.052 -6.772 1.00 0.69 H new ATOM 0 HA VAL A 22 -15.061 12.815 -5.021 1.00 0.68 H new ATOM 0 HB VAL A 22 -14.720 11.273 -3.193 1.00 0.64 H new ATOM 0 HG11 VAL A 22 -12.449 10.693 -2.452 1.00 0.60 H new ATOM 0 HG12 VAL A 22 -13.008 9.803 -3.889 1.00 0.60 H new ATOM 0 HG13 VAL A 22 -11.846 11.140 -4.066 1.00 0.60 H new ATOM 0 HG21 VAL A 22 -13.316 12.854 -1.888 1.00 0.65 H new ATOM 0 HG22 VAL A 22 -12.889 13.672 -3.409 1.00 0.65 H new ATOM 0 HG23 VAL A 22 -14.581 13.642 -2.860 1.00 0.65 H new ATOM 242 N HIS A 23 -12.285 13.222 -5.627 1.00 0.66 N ATOM 243 CA HIS A 23 -11.069 13.546 -6.374 1.00 0.66 C ATOM 244 C HIS A 23 -9.823 13.164 -5.548 1.00 0.62 C ATOM 245 O HIS A 23 -9.812 13.380 -4.329 1.00 0.60 O ATOM 246 CB HIS A 23 -11.089 15.036 -6.734 1.00 0.69 C ATOM 247 CG HIS A 23 -10.001 15.389 -7.754 1.00 0.70 C ATOM 248 ND1 HIS A 23 -8.715 15.556 -7.471 1.00 0.68 N ATOM 249 CD2 HIS A 23 -10.163 15.617 -9.054 1.00 0.73 C ATOM 250 CE1 HIS A 23 -8.078 15.902 -8.588 1.00 0.70 C ATOM 251 NE2 HIS A 23 -8.975 15.939 -9.565 1.00 0.73 N ATOM 0 H HIS A 23 -12.385 13.735 -4.751 1.00 0.66 H new ATOM 0 HA HIS A 23 -11.027 12.972 -7.300 1.00 0.66 H new ATOM 0 HB2 HIS A 23 -12.066 15.299 -7.139 1.00 0.69 H new ATOM 0 HB3 HIS A 23 -10.948 15.630 -5.831 1.00 0.69 H new ATOM 0 HD2 HIS A 23 -11.093 15.553 -9.599 1.00 0.73 H new ATOM 0 HE1 HIS A 23 -7.023 16.114 -8.682 1.00 0.70 H new ATOM 0 HE2 HIS A 23 -8.788 16.174 -10.540 1.00 0.73 H new ATOM 259 N PRO A 24 -8.773 12.675 -6.230 1.00 0.61 N ATOM 260 CA PRO A 24 -7.452 12.370 -5.641 1.00 0.58 C ATOM 261 C PRO A 24 -6.880 13.534 -4.837 1.00 0.58 C ATOM 262 O PRO A 24 -6.033 13.312 -3.985 1.00 0.56 O ATOM 263 CB PRO A 24 -6.517 12.186 -6.829 1.00 0.60 C ATOM 264 CG PRO A 24 -7.429 11.656 -7.924 1.00 0.62 C ATOM 265 CD PRO A 24 -8.759 12.353 -7.673 1.00 0.64 C ATOM 0 HA PRO A 24 -7.549 11.509 -4.980 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -6.047 13.126 -7.119 1.00 0.60 H new ATOM 0 HB3 PRO A 24 -5.714 11.485 -6.602 1.00 0.60 H new ATOM 0 HG2 PRO A 24 -7.038 11.888 -8.915 1.00 0.62 H new ATOM 0 HG3 PRO A 24 -7.531 10.572 -7.868 1.00 0.62 H new ATOM 0 HD2 PRO A 24 -8.848 13.256 -8.277 1.00 0.64 H new ATOM 0 HD3 PRO A 24 -9.596 11.707 -7.939 1.00 0.64 H new ATOM 273 N LYS A 25 -7.348 14.750 -5.113 1.00 0.61 N ATOM 274 CA LYS A 25 -6.920 15.984 -4.436 1.00 0.61 C ATOM 275 C LYS A 25 -6.999 15.875 -2.902 1.00 0.59 C ATOM 276 O LYS A 25 -6.199 16.472 -2.194 1.00 0.59 O ATOM 277 CB LYS A 25 -7.802 17.135 -4.915 1.00 0.65 C ATOM 278 CG LYS A 25 -6.970 18.406 -5.064 1.00 0.67 C ATOM 279 CD LYS A 25 -7.791 19.595 -5.569 1.00 0.70 C ATOM 280 CE LYS A 25 -8.774 20.103 -4.511 1.00 0.71 C ATOM 281 NZ LYS A 25 -8.642 21.556 -4.365 1.00 0.74 N ATOM 0 H LYS A 25 -8.054 14.914 -5.831 1.00 0.61 H new ATOM 0 HA LYS A 25 -5.875 16.161 -4.689 1.00 0.61 H new ATOM 0 HB2 LYS A 25 -8.262 16.878 -5.869 1.00 0.65 H new ATOM 0 HB3 LYS A 25 -8.612 17.302 -4.205 1.00 0.65 H new ATOM 0 HG2 LYS A 25 -6.526 18.659 -4.101 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -6.148 18.218 -5.755 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -7.119 20.403 -5.858 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -8.340 19.302 -6.464 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -9.794 19.849 -4.798 1.00 0.71 H new ATOM 0 HE3 LYS A 25 -8.580 19.614 -3.557 1.00 0.71 H new ATOM 0 HZ1 LYS A 25 -9.312 21.895 -3.645 1.00 0.74 H new ATOM 0 HZ2 LYS A 25 -7.672 21.789 -4.072 1.00 0.74 H new ATOM 0 HZ3 LYS A 25 -8.849 22.016 -5.274 1.00 0.74 H new ATOM 295 N MET A 26 -7.931 15.044 -2.433 1.00 0.58 N ATOM 296 CA MET A 26 -8.100 14.742 -0.999 1.00 0.58 C ATOM 297 C MET A 26 -7.231 13.569 -0.512 1.00 0.54 C ATOM 298 O MET A 26 -7.001 13.400 0.688 1.00 0.54 O ATOM 299 CB MET A 26 -9.577 14.491 -0.691 1.00 0.59 C ATOM 300 CG MET A 26 -10.446 15.731 -0.951 1.00 0.67 C ATOM 301 SD MET A 26 -10.302 17.039 0.324 1.00 0.79 S ATOM 302 CE MET A 26 -9.195 18.195 -0.460 1.00 1.08 C ATOM 0 H MET A 26 -8.595 14.557 -3.034 1.00 0.58 H new ATOM 0 HA MET A 26 -7.753 15.616 -0.449 1.00 0.58 H new ATOM 0 HB2 MET A 26 -9.937 13.663 -1.301 1.00 0.59 H new ATOM 0 HB3 MET A 26 -9.682 14.188 0.351 1.00 0.59 H new ATOM 0 HG2 MET A 26 -10.175 16.153 -1.919 1.00 0.67 H new ATOM 0 HG3 MET A 26 -11.489 15.421 -1.019 1.00 0.67 H new ATOM 0 HE1 MET A 26 -8.550 18.649 0.293 1.00 1.08 H new ATOM 0 HE2 MET A 26 -8.583 17.672 -1.194 1.00 1.08 H new ATOM 0 HE3 MET A 26 -9.774 18.972 -0.958 1.00 1.08 H new ATOM 312 N ILE A 27 -6.768 12.741 -1.444 1.00 0.52 N ATOM 313 CA ILE A 27 -5.953 11.573 -1.100 1.00 0.50 C ATOM 314 C ILE A 27 -4.459 11.881 -1.217 1.00 0.51 C ATOM 315 O ILE A 27 -4.049 12.713 -2.026 1.00 0.58 O ATOM 316 CB ILE A 27 -6.296 10.367 -2.009 1.00 0.53 C ATOM 317 CG1 ILE A 27 -7.814 10.251 -2.211 1.00 0.56 C ATOM 318 CG2 ILE A 27 -5.736 9.074 -1.424 1.00 0.54 C ATOM 319 CD1 ILE A 27 -8.588 9.968 -0.938 1.00 0.57 C ATOM 0 H ILE A 27 -6.941 12.854 -2.443 1.00 0.52 H new ATOM 0 HA ILE A 27 -6.182 11.320 -0.065 1.00 0.50 H new ATOM 0 HB ILE A 27 -5.833 10.534 -2.981 1.00 0.53 H new ATOM 0 HG12 ILE A 27 -8.183 11.178 -2.650 1.00 0.56 H new ATOM 0 HG13 ILE A 27 -8.014 9.456 -2.930 1.00 0.56 H new ATOM 0 HG21 ILE A 27 -5.988 8.239 -2.078 1.00 0.54 H new ATOM 0 HG22 ILE A 27 -4.652 9.153 -1.338 1.00 0.54 H new ATOM 0 HG23 ILE A 27 -6.167 8.905 -0.437 1.00 0.54 H new ATOM 0 HD11 ILE A 27 -9.652 9.901 -1.166 1.00 0.57 H new ATOM 0 HD12 ILE A 27 -8.249 9.026 -0.508 1.00 0.57 H new ATOM 0 HD13 ILE A 27 -8.420 10.774 -0.224 1.00 0.57 H new ATOM 331 N SER A 28 -3.648 11.204 -0.399 1.00 0.49 N ATOM 332 CA SER A 28 -2.203 11.401 -0.416 1.00 0.54 C ATOM 333 C SER A 28 -1.457 10.079 -0.205 1.00 0.55 C ATOM 334 O SER A 28 -0.289 9.955 -0.568 1.00 0.69 O ATOM 335 CB SER A 28 -1.791 12.411 0.661 1.00 0.61 C ATOM 336 OG SER A 28 -2.357 13.687 0.413 1.00 0.69 O ATOM 0 H SER A 28 -3.971 10.516 0.281 1.00 0.49 H new ATOM 0 HA SER A 28 -1.932 11.791 -1.397 1.00 0.54 H new ATOM 0 HB2 SER A 28 -2.110 12.053 1.640 1.00 0.61 H new ATOM 0 HB3 SER A 28 -0.704 12.492 0.690 1.00 0.61 H new ATOM 0 HG SER A 28 -1.657 14.371 0.462 1.00 0.69 H new ATOM 342 N ASN A 29 -2.136 9.094 0.381 1.00 0.51 N ATOM 343 CA ASN A 29 -1.525 7.789 0.638 1.00 0.51 C ATOM 344 C ASN A 29 -2.489 6.654 0.289 1.00 0.50 C ATOM 345 O ASN A 29 -3.671 6.709 0.625 1.00 0.51 O ATOM 346 CB ASN A 29 -1.109 7.690 2.110 1.00 0.54 C ATOM 347 CG ASN A 29 -0.422 6.376 2.447 1.00 0.57 C ATOM 348 OD1 ASN A 29 0.312 5.815 1.634 1.00 0.64 O ATOM 349 ND2 ASN A 29 -0.660 5.880 3.655 1.00 0.78 N ATOM 0 H ASN A 29 -3.106 9.173 0.686 1.00 0.51 H new ATOM 0 HA ASN A 29 -0.643 7.692 0.005 1.00 0.51 H new ATOM 0 HB2 ASN A 29 -0.438 8.516 2.348 1.00 0.54 H new ATOM 0 HB3 ASN A 29 -1.991 7.804 2.740 1.00 0.54 H new ATOM 0 HD21 ASN A 29 -0.228 5.001 3.940 1.00 0.78 H new ATOM 0 HD22 ASN A 29 -1.275 6.378 4.298 1.00 0.78 H new ATOM 356 N LEU A 30 -1.971 5.627 -0.387 1.00 0.54 N ATOM 357 CA LEU A 30 -2.783 4.475 -0.775 1.00 0.56 C ATOM 358 C LEU A 30 -2.109 3.165 -0.369 1.00 0.57 C ATOM 359 O LEU A 30 -0.922 2.962 -0.626 1.00 0.74 O ATOM 360 CB LEU A 30 -3.032 4.479 -2.288 1.00 0.60 C ATOM 361 CG LEU A 30 -3.948 3.362 -2.796 1.00 0.67 C ATOM 362 CD1 LEU A 30 -5.406 3.779 -2.706 1.00 0.69 C ATOM 363 CD2 LEU A 30 -3.589 2.981 -4.224 1.00 0.73 C ATOM 0 H LEU A 30 -0.994 5.570 -0.676 1.00 0.54 H new ATOM 0 HA LEU A 30 -3.737 4.551 -0.254 1.00 0.56 H new ATOM 0 HB2 LEU A 30 -3.466 5.439 -2.567 1.00 0.60 H new ATOM 0 HB3 LEU A 30 -2.072 4.402 -2.799 1.00 0.60 H new ATOM 0 HG LEU A 30 -3.802 2.488 -2.161 1.00 0.67 H new ATOM 0 HD11 LEU A 30 -6.039 2.971 -3.072 1.00 0.69 H new ATOM 0 HD12 LEU A 30 -5.659 3.996 -1.668 1.00 0.69 H new ATOM 0 HD13 LEU A 30 -5.568 4.670 -3.313 1.00 0.69 H new ATOM 0 HD21 LEU A 30 -4.252 2.186 -4.566 1.00 0.73 H new ATOM 0 HD22 LEU A 30 -3.701 3.850 -4.872 1.00 0.73 H new ATOM 0 HD23 LEU A 30 -2.557 2.633 -4.259 1.00 0.73 H new ATOM 375 N GLN A 31 -2.872 2.282 0.271 1.00 0.50 N ATOM 376 CA GLN A 31 -2.355 0.987 0.705 1.00 0.51 C ATOM 377 C GLN A 31 -3.137 -0.150 0.043 1.00 0.52 C ATOM 378 O GLN A 31 -4.365 -0.196 0.118 1.00 0.61 O ATOM 379 CB GLN A 31 -2.429 0.852 2.228 1.00 0.54 C ATOM 380 CG GLN A 31 -1.797 2.010 2.985 1.00 0.61 C ATOM 381 CD GLN A 31 -1.893 1.845 4.489 1.00 0.84 C ATOM 382 OE1 GLN A 31 -2.850 2.299 5.116 1.00 1.16 O ATOM 383 NE2 GLN A 31 -0.901 1.186 5.076 1.00 1.16 N ATOM 0 H GLN A 31 -3.853 2.441 0.501 1.00 0.50 H new ATOM 0 HA GLN A 31 -1.310 0.923 0.402 1.00 0.51 H new ATOM 0 HB2 GLN A 31 -3.474 0.766 2.524 1.00 0.54 H new ATOM 0 HB3 GLN A 31 -1.936 -0.074 2.524 1.00 0.54 H new ATOM 0 HG2 GLN A 31 -0.749 2.097 2.699 1.00 0.61 H new ATOM 0 HG3 GLN A 31 -2.286 2.940 2.693 1.00 0.61 H new ATOM 0 HE21 GLN A 31 -0.127 0.826 4.518 1.00 1.16 H new ATOM 0 HE22 GLN A 31 -0.913 1.039 6.085 1.00 1.16 H new ATOM 392 N VAL A 32 -2.417 -1.061 -0.602 1.00 0.49 N ATOM 393 CA VAL A 32 -3.036 -2.193 -1.287 1.00 0.51 C ATOM 394 C VAL A 32 -2.762 -3.501 -0.547 1.00 0.50 C ATOM 395 O VAL A 32 -1.628 -3.973 -0.497 1.00 0.61 O ATOM 396 CB VAL A 32 -2.525 -2.316 -2.739 1.00 0.56 C ATOM 397 CG1 VAL A 32 -3.371 -3.302 -3.532 1.00 0.62 C ATOM 398 CG2 VAL A 32 -2.503 -0.954 -3.421 1.00 0.59 C ATOM 0 H VAL A 32 -1.399 -1.038 -0.666 1.00 0.49 H new ATOM 0 HA VAL A 32 -4.110 -2.008 -1.302 1.00 0.51 H new ATOM 0 HB VAL A 32 -1.504 -2.697 -2.706 1.00 0.56 H new ATOM 0 HG11 VAL A 32 -2.991 -3.370 -4.551 1.00 0.62 H new ATOM 0 HG12 VAL A 32 -3.324 -4.284 -3.060 1.00 0.62 H new ATOM 0 HG13 VAL A 32 -4.405 -2.959 -3.553 1.00 0.62 H new ATOM 0 HG21 VAL A 32 -2.140 -1.065 -4.443 1.00 0.59 H new ATOM 0 HG22 VAL A 32 -3.511 -0.539 -3.437 1.00 0.59 H new ATOM 0 HG23 VAL A 32 -1.843 -0.283 -2.872 1.00 0.59 H new ATOM 408 N PHE A 33 -3.815 -4.080 0.019 1.00 0.48 N ATOM 409 CA PHE A 33 -3.712 -5.333 0.761 1.00 0.49 C ATOM 410 C PHE A 33 -4.174 -6.508 -0.097 1.00 0.52 C ATOM 411 O PHE A 33 -5.209 -6.429 -0.762 1.00 0.57 O ATOM 412 CB PHE A 33 -4.555 -5.263 2.039 1.00 0.52 C ATOM 413 CG PHE A 33 -3.949 -4.420 3.127 1.00 0.53 C ATOM 414 CD1 PHE A 33 -4.066 -3.039 3.106 1.00 0.60 C ATOM 415 CD2 PHE A 33 -3.265 -5.016 4.176 1.00 0.63 C ATOM 416 CE1 PHE A 33 -3.509 -2.267 4.110 1.00 0.68 C ATOM 417 CE2 PHE A 33 -2.709 -4.249 5.182 1.00 0.73 C ATOM 418 CZ PHE A 33 -2.830 -2.874 5.149 1.00 0.72 C ATOM 0 H PHE A 33 -4.760 -3.697 -0.022 1.00 0.48 H new ATOM 0 HA PHE A 33 -2.666 -5.485 1.029 1.00 0.49 H new ATOM 0 HB2 PHE A 33 -5.539 -4.865 1.791 1.00 0.52 H new ATOM 0 HB3 PHE A 33 -4.706 -6.274 2.418 1.00 0.52 H new ATOM 0 HD1 PHE A 33 -4.598 -2.560 2.297 1.00 0.60 H new ATOM 0 HD2 PHE A 33 -3.166 -6.091 4.207 1.00 0.63 H new ATOM 0 HE1 PHE A 33 -3.605 -1.192 4.082 1.00 0.68 H new ATOM 0 HE2 PHE A 33 -2.180 -4.725 5.994 1.00 0.73 H new ATOM 0 HZ PHE A 33 -2.395 -2.274 5.934 1.00 0.72 H new ATOM 428 N ALA A 34 -3.405 -7.595 -0.085 1.00 0.53 N ATOM 429 CA ALA A 34 -3.751 -8.780 -0.867 1.00 0.58 C ATOM 430 C ALA A 34 -4.566 -9.787 -0.050 1.00 0.58 C ATOM 431 O ALA A 34 -5.169 -9.439 0.967 1.00 0.62 O ATOM 432 CB ALA A 34 -2.492 -9.437 -1.414 1.00 0.66 C ATOM 0 H ALA A 34 -2.543 -7.680 0.454 1.00 0.53 H new ATOM 0 HA ALA A 34 -4.375 -8.454 -1.699 1.00 0.58 H new ATOM 0 HB1 ALA A 34 -2.764 -10.318 -1.994 1.00 0.66 H new ATOM 0 HB2 ALA A 34 -1.962 -8.731 -2.053 1.00 0.66 H new ATOM 0 HB3 ALA A 34 -1.847 -9.733 -0.587 1.00 0.66 H new ATOM 438 N ILE A 35 -4.581 -11.036 -0.516 1.00 0.63 N ATOM 439 CA ILE A 35 -5.317 -12.111 0.145 1.00 0.65 C ATOM 440 C ILE A 35 -4.635 -12.537 1.447 1.00 0.62 C ATOM 441 O ILE A 35 -3.441 -12.845 1.465 1.00 0.68 O ATOM 442 CB ILE A 35 -5.454 -13.334 -0.790 1.00 0.77 C ATOM 443 CG1 ILE A 35 -6.200 -12.943 -2.070 1.00 0.91 C ATOM 444 CG2 ILE A 35 -6.165 -14.482 -0.084 1.00 0.80 C ATOM 445 CD1 ILE A 35 -6.195 -14.024 -3.130 1.00 1.14 C ATOM 0 H ILE A 35 -4.086 -11.329 -1.358 1.00 0.63 H new ATOM 0 HA ILE A 35 -6.309 -11.726 0.383 1.00 0.65 H new ATOM 0 HB ILE A 35 -4.454 -13.673 -1.059 1.00 0.77 H new ATOM 0 HG12 ILE A 35 -7.232 -12.698 -1.818 1.00 0.91 H new ATOM 0 HG13 ILE A 35 -5.749 -12.040 -2.482 1.00 0.91 H new ATOM 0 HG21 ILE A 35 -6.249 -15.331 -0.763 1.00 0.80 H new ATOM 0 HG22 ILE A 35 -5.594 -14.777 0.797 1.00 0.80 H new ATOM 0 HG23 ILE A 35 -7.161 -14.161 0.220 1.00 0.80 H new ATOM 0 HD11 ILE A 35 -6.741 -13.676 -4.007 1.00 1.14 H new ATOM 0 HD12 ILE A 35 -5.167 -14.254 -3.411 1.00 1.14 H new ATOM 0 HD13 ILE A 35 -6.673 -14.921 -2.737 1.00 1.14 H new ATOM 457 N GLY A 36 -5.405 -12.548 2.534 1.00 0.61 N ATOM 458 CA GLY A 36 -4.878 -12.939 3.829 1.00 0.63 C ATOM 459 C GLY A 36 -5.800 -13.900 4.561 1.00 0.65 C ATOM 460 O GLY A 36 -6.723 -14.450 3.959 1.00 0.66 O ATOM 0 H GLY A 36 -6.392 -12.291 2.538 1.00 0.61 H new ATOM 0 HA2 GLY A 36 -3.902 -13.406 3.696 1.00 0.63 H new ATOM 0 HA3 GLY A 36 -4.725 -12.049 4.440 1.00 0.63 H new ATOM 464 N PRO A 37 -5.569 -14.126 5.869 1.00 0.69 N ATOM 465 CA PRO A 37 -6.387 -15.031 6.688 1.00 0.74 C ATOM 466 C PRO A 37 -7.724 -14.415 7.100 1.00 0.72 C ATOM 467 O PRO A 37 -8.590 -15.095 7.651 1.00 0.77 O ATOM 468 CB PRO A 37 -5.518 -15.279 7.934 1.00 0.81 C ATOM 469 CG PRO A 37 -4.207 -14.608 7.670 1.00 0.79 C ATOM 470 CD PRO A 37 -4.484 -13.536 6.659 1.00 0.71 C ATOM 0 HA PRO A 37 -6.647 -15.935 6.138 1.00 0.74 H new ATOM 0 HB2 PRO A 37 -5.992 -14.870 8.826 1.00 0.81 H new ATOM 0 HB3 PRO A 37 -5.381 -16.346 8.107 1.00 0.81 H new ATOM 0 HG2 PRO A 37 -3.795 -14.183 8.586 1.00 0.79 H new ATOM 0 HG3 PRO A 37 -3.474 -15.320 7.292 1.00 0.79 H new ATOM 0 HD2 PRO A 37 -4.786 -12.601 7.130 1.00 0.71 H new ATOM 0 HD3 PRO A 37 -3.608 -13.317 6.048 1.00 0.71 H new ATOM 478 N GLN A 38 -7.886 -13.124 6.828 1.00 0.66 N ATOM 479 CA GLN A 38 -9.117 -12.403 7.180 1.00 0.65 C ATOM 480 C GLN A 38 -9.964 -12.025 5.952 1.00 0.61 C ATOM 481 O GLN A 38 -11.147 -11.718 6.075 1.00 0.62 O ATOM 482 CB GLN A 38 -8.753 -11.157 7.995 1.00 0.65 C ATOM 483 CG GLN A 38 -7.899 -10.138 7.233 1.00 0.60 C ATOM 484 CD GLN A 38 -7.584 -8.938 8.121 1.00 0.63 C ATOM 485 OE1 GLN A 38 -6.938 -9.031 9.151 1.00 0.73 O ATOM 486 NE2 GLN A 38 -7.998 -7.776 7.679 1.00 0.61 N ATOM 0 H GLN A 38 -7.182 -12.550 6.364 1.00 0.66 H new ATOM 0 HA GLN A 38 -9.736 -13.073 7.777 1.00 0.65 H new ATOM 0 HB2 GLN A 38 -9.671 -10.671 8.325 1.00 0.65 H new ATOM 0 HB3 GLN A 38 -8.216 -11.467 8.892 1.00 0.65 H new ATOM 0 HG2 GLN A 38 -6.972 -10.606 6.901 1.00 0.60 H new ATOM 0 HG3 GLN A 38 -8.427 -9.808 6.338 1.00 0.60 H new ATOM 0 HE21 GLN A 38 -8.537 -7.722 6.815 1.00 0.61 H new ATOM 0 HE22 GLN A 38 -7.781 -6.926 8.199 1.00 0.61 H new ATOM 495 N CYS A 39 -9.325 -11.986 4.787 1.00 0.57 N ATOM 496 CA CYS A 39 -10.002 -11.594 3.556 1.00 0.55 C ATOM 497 C CYS A 39 -9.402 -12.312 2.353 1.00 0.61 C ATOM 498 O CYS A 39 -8.188 -12.317 2.169 1.00 0.71 O ATOM 499 CB CYS A 39 -9.875 -10.076 3.370 1.00 0.49 C ATOM 500 SG CYS A 39 -11.270 -9.290 2.499 1.00 0.47 S ATOM 0 H CYS A 39 -8.339 -12.221 4.670 1.00 0.57 H new ATOM 0 HA CYS A 39 -11.053 -11.873 3.630 1.00 0.55 H new ATOM 0 HB2 CYS A 39 -9.770 -9.612 4.351 1.00 0.49 H new ATOM 0 HB3 CYS A 39 -8.958 -9.868 2.819 1.00 0.49 H new ATOM 505 N SER A 40 -10.257 -12.909 1.531 1.00 0.67 N ATOM 506 CA SER A 40 -9.802 -13.622 0.344 1.00 0.78 C ATOM 507 C SER A 40 -9.952 -12.743 -0.900 1.00 0.74 C ATOM 508 O SER A 40 -10.076 -13.242 -2.020 1.00 0.97 O ATOM 509 CB SER A 40 -10.589 -14.925 0.177 1.00 0.92 C ATOM 510 OG SER A 40 -9.949 -15.798 -0.738 1.00 1.07 O ATOM 0 H SER A 40 -11.268 -12.913 1.665 1.00 0.67 H new ATOM 0 HA SER A 40 -8.747 -13.865 0.467 1.00 0.78 H new ATOM 0 HB2 SER A 40 -10.690 -15.418 1.144 1.00 0.92 H new ATOM 0 HB3 SER A 40 -11.597 -14.702 -0.174 1.00 0.92 H new ATOM 0 HG SER A 40 -9.795 -15.329 -1.585 1.00 1.07 H new ATOM 516 N LYS A 41 -9.928 -11.428 -0.692 1.00 0.72 N ATOM 517 CA LYS A 41 -10.068 -10.471 -1.784 1.00 0.69 C ATOM 518 C LYS A 41 -9.146 -9.270 -1.574 1.00 0.68 C ATOM 519 O LYS A 41 -8.747 -8.974 -0.447 1.00 0.70 O ATOM 520 CB LYS A 41 -11.523 -10.000 -1.878 1.00 0.68 C ATOM 521 CG LYS A 41 -11.870 -9.307 -3.187 1.00 0.77 C ATOM 522 CD LYS A 41 -12.632 -8.013 -2.944 1.00 0.88 C ATOM 523 CE LYS A 41 -13.015 -7.337 -4.252 1.00 1.07 C ATOM 524 NZ LYS A 41 -13.664 -6.016 -4.025 1.00 1.29 N ATOM 0 H LYS A 41 -9.812 -11.001 0.227 1.00 0.72 H new ATOM 0 HA LYS A 41 -9.785 -10.964 -2.714 1.00 0.69 H new ATOM 0 HB2 LYS A 41 -12.181 -10.860 -1.749 1.00 0.68 H new ATOM 0 HB3 LYS A 41 -11.726 -9.317 -1.053 1.00 0.68 H new ATOM 0 HG2 LYS A 41 -10.956 -9.094 -3.741 1.00 0.77 H new ATOM 0 HG3 LYS A 41 -12.470 -9.974 -3.806 1.00 0.77 H new ATOM 0 HD2 LYS A 41 -13.531 -8.222 -2.365 1.00 0.88 H new ATOM 0 HD3 LYS A 41 -12.020 -7.335 -2.349 1.00 0.88 H new ATOM 0 HE2 LYS A 41 -12.124 -7.203 -4.866 1.00 1.07 H new ATOM 0 HE3 LYS A 41 -13.693 -7.983 -4.810 1.00 1.07 H new ATOM 0 HZ1 LYS A 41 -13.910 -5.588 -4.940 1.00 1.29 H new ATOM 0 HZ2 LYS A 41 -14.528 -6.146 -3.461 1.00 1.29 H new ATOM 0 HZ3 LYS A 41 -13.008 -5.390 -3.515 1.00 1.29 H new ATOM 538 N VAL A 42 -8.807 -8.588 -2.666 1.00 0.67 N ATOM 539 CA VAL A 42 -7.945 -7.412 -2.601 1.00 0.68 C ATOM 540 C VAL A 42 -8.768 -6.150 -2.326 1.00 0.67 C ATOM 541 O VAL A 42 -9.799 -5.917 -2.959 1.00 0.75 O ATOM 542 CB VAL A 42 -7.135 -7.229 -3.907 1.00 0.74 C ATOM 543 CG1 VAL A 42 -6.178 -8.393 -4.106 1.00 0.80 C ATOM 544 CG2 VAL A 42 -8.054 -7.085 -5.115 1.00 0.83 C ATOM 0 H VAL A 42 -9.117 -8.831 -3.607 1.00 0.67 H new ATOM 0 HA VAL A 42 -7.245 -7.570 -1.780 1.00 0.68 H new ATOM 0 HB VAL A 42 -6.557 -6.310 -3.815 1.00 0.74 H new ATOM 0 HG11 VAL A 42 -5.616 -8.249 -5.029 1.00 0.80 H new ATOM 0 HG12 VAL A 42 -5.487 -8.444 -3.265 1.00 0.80 H new ATOM 0 HG13 VAL A 42 -6.744 -9.323 -4.167 1.00 0.80 H new ATOM 0 HG21 VAL A 42 -7.454 -6.958 -6.016 1.00 0.83 H new ATOM 0 HG22 VAL A 42 -8.670 -7.979 -5.212 1.00 0.83 H new ATOM 0 HG23 VAL A 42 -8.697 -6.215 -4.982 1.00 0.83 H new ATOM 554 N GLU A 43 -8.318 -5.345 -1.363 1.00 0.60 N ATOM 555 CA GLU A 43 -9.028 -4.118 -1.016 1.00 0.59 C ATOM 556 C GLU A 43 -8.052 -2.948 -0.943 1.00 0.58 C ATOM 557 O GLU A 43 -7.013 -3.037 -0.288 1.00 0.63 O ATOM 558 CB GLU A 43 -9.758 -4.290 0.319 1.00 0.60 C ATOM 559 CG GLU A 43 -10.438 -5.644 0.461 1.00 0.66 C ATOM 560 CD GLU A 43 -11.312 -5.746 1.687 1.00 0.70 C ATOM 561 OE1 GLU A 43 -10.772 -5.696 2.810 1.00 0.75 O ATOM 562 OE2 GLU A 43 -12.538 -5.888 1.522 1.00 0.79 O ATOM 0 H GLU A 43 -7.475 -5.519 -0.816 1.00 0.60 H new ATOM 0 HA GLU A 43 -9.766 -3.907 -1.790 1.00 0.59 H new ATOM 0 HB2 GLU A 43 -9.046 -4.161 1.134 1.00 0.60 H new ATOM 0 HB3 GLU A 43 -10.505 -3.503 0.421 1.00 0.60 H new ATOM 0 HG2 GLU A 43 -11.043 -5.834 -0.425 1.00 0.66 H new ATOM 0 HG3 GLU A 43 -9.677 -6.423 0.500 1.00 0.66 H new ATOM 569 N VAL A 44 -8.387 -1.851 -1.617 1.00 0.55 N ATOM 570 CA VAL A 44 -7.519 -0.680 -1.638 1.00 0.56 C ATOM 571 C VAL A 44 -7.986 0.404 -0.671 1.00 0.54 C ATOM 572 O VAL A 44 -8.979 1.092 -0.903 1.00 0.57 O ATOM 573 CB VAL A 44 -7.384 -0.077 -3.053 1.00 0.60 C ATOM 574 CG1 VAL A 44 -6.393 -0.879 -3.881 1.00 0.66 C ATOM 575 CG2 VAL A 44 -8.730 -0.015 -3.753 1.00 0.64 C ATOM 0 H VAL A 44 -9.249 -1.750 -2.153 1.00 0.55 H new ATOM 0 HA VAL A 44 -6.541 -1.038 -1.316 1.00 0.56 H new ATOM 0 HB VAL A 44 -7.010 0.942 -2.949 1.00 0.60 H new ATOM 0 HG11 VAL A 44 -6.310 -0.440 -4.875 1.00 0.66 H new ATOM 0 HG12 VAL A 44 -5.417 -0.864 -3.395 1.00 0.66 H new ATOM 0 HG13 VAL A 44 -6.740 -1.909 -3.967 1.00 0.66 H new ATOM 0 HG21 VAL A 44 -8.604 0.414 -4.747 1.00 0.64 H new ATOM 0 HG22 VAL A 44 -9.141 -1.021 -3.841 1.00 0.64 H new ATOM 0 HG23 VAL A 44 -9.413 0.606 -3.174 1.00 0.64 H new ATOM 585 N VAL A 45 -7.258 0.529 0.425 1.00 0.51 N ATOM 586 CA VAL A 45 -7.537 1.548 1.459 1.00 0.50 C ATOM 587 C VAL A 45 -6.706 2.826 1.210 1.00 0.51 C ATOM 588 O VAL A 45 -5.680 2.826 0.526 1.00 0.54 O ATOM 589 CB VAL A 45 -7.377 0.996 2.895 1.00 0.51 C ATOM 590 CG1 VAL A 45 -7.624 -0.494 2.974 1.00 0.69 C ATOM 591 CG2 VAL A 45 -5.980 1.048 3.469 1.00 0.67 C ATOM 0 H VAL A 45 -6.456 -0.064 0.636 1.00 0.51 H new ATOM 0 HA VAL A 45 -8.588 1.825 1.373 1.00 0.50 H new ATOM 0 HB VAL A 45 -8.083 1.633 3.428 1.00 0.51 H new ATOM 0 HG11 VAL A 45 -7.499 -0.829 4.003 1.00 0.69 H new ATOM 0 HG12 VAL A 45 -8.639 -0.713 2.642 1.00 0.69 H new ATOM 0 HG13 VAL A 45 -6.913 -1.015 2.333 1.00 0.69 H new ATOM 0 HG21 VAL A 45 -5.986 0.636 4.478 1.00 0.67 H new ATOM 0 HG22 VAL A 45 -5.307 0.463 2.842 1.00 0.67 H new ATOM 0 HG23 VAL A 45 -5.638 2.083 3.501 1.00 0.67 H new ATOM 601 N ALA A 46 -7.262 3.949 1.627 1.00 0.52 N ATOM 602 CA ALA A 46 -6.608 5.263 1.472 1.00 0.54 C ATOM 603 C ALA A 46 -6.817 6.135 2.713 1.00 0.55 C ATOM 604 O ALA A 46 -7.780 5.948 3.464 1.00 0.55 O ATOM 605 CB ALA A 46 -7.153 5.972 0.228 1.00 0.58 C ATOM 0 H ALA A 46 -8.174 3.991 2.082 1.00 0.52 H new ATOM 0 HA ALA A 46 -5.537 5.100 1.353 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -6.666 6.941 0.119 1.00 0.58 H new ATOM 0 HB2 ALA A 46 -6.953 5.364 -0.654 1.00 0.58 H new ATOM 0 HB3 ALA A 46 -8.228 6.116 0.333 1.00 0.58 H new ATOM 611 N SER A 47 -5.877 7.044 2.926 1.00 0.57 N ATOM 612 CA SER A 47 -5.943 8.017 4.031 1.00 0.60 C ATOM 613 C SER A 47 -5.850 9.446 3.492 1.00 0.64 C ATOM 614 O SER A 47 -4.989 9.778 2.667 1.00 0.65 O ATOM 615 CB SER A 47 -4.815 7.798 5.038 1.00 0.63 C ATOM 616 OG SER A 47 -4.830 6.446 5.503 1.00 0.62 O ATOM 0 H SER A 47 -5.044 7.136 2.344 1.00 0.57 H new ATOM 0 HA SER A 47 -6.899 7.869 4.533 1.00 0.60 H new ATOM 0 HB2 SER A 47 -3.854 8.021 4.574 1.00 0.63 H new ATOM 0 HB3 SER A 47 -4.929 8.482 5.879 1.00 0.63 H new ATOM 0 HG SER A 47 -4.103 6.313 6.147 1.00 0.62 H new ATOM 622 N LEU A 48 -6.758 10.291 3.969 1.00 0.66 N ATOM 623 CA LEU A 48 -6.804 11.688 3.563 1.00 0.71 C ATOM 624 C LEU A 48 -5.730 12.490 4.291 1.00 0.74 C ATOM 625 O LEU A 48 -5.147 12.020 5.268 1.00 0.74 O ATOM 626 CB LEU A 48 -8.185 12.288 3.853 1.00 0.72 C ATOM 627 CG LEU A 48 -9.315 11.841 2.918 1.00 0.74 C ATOM 628 CD1 LEU A 48 -9.869 10.486 3.341 1.00 0.72 C ATOM 629 CD2 LEU A 48 -10.422 12.882 2.891 1.00 0.79 C ATOM 0 H LEU A 48 -7.477 10.028 4.643 1.00 0.66 H new ATOM 0 HA LEU A 48 -6.617 11.736 2.490 1.00 0.71 H new ATOM 0 HB2 LEU A 48 -8.463 12.034 4.876 1.00 0.72 H new ATOM 0 HB3 LEU A 48 -8.106 13.374 3.804 1.00 0.72 H new ATOM 0 HG LEU A 48 -8.905 11.740 1.913 1.00 0.74 H new ATOM 0 HD11 LEU A 48 -10.669 10.192 2.662 1.00 0.72 H new ATOM 0 HD12 LEU A 48 -9.074 9.742 3.309 1.00 0.72 H new ATOM 0 HD13 LEU A 48 -10.261 10.554 4.356 1.00 0.72 H new ATOM 0 HD21 LEU A 48 -11.217 12.551 2.223 1.00 0.79 H new ATOM 0 HD22 LEU A 48 -10.823 13.012 3.896 1.00 0.79 H new ATOM 0 HD23 LEU A 48 -10.021 13.831 2.535 1.00 0.79 H new ATOM 641 N LYS A 49 -5.478 13.707 3.814 1.00 0.80 N ATOM 642 CA LYS A 49 -4.477 14.574 4.426 1.00 0.86 C ATOM 643 C LYS A 49 -5.021 15.211 5.707 1.00 0.87 C ATOM 644 O LYS A 49 -4.290 15.869 6.448 1.00 0.93 O ATOM 645 CB LYS A 49 -4.036 15.658 3.437 1.00 0.94 C ATOM 646 CG LYS A 49 -2.707 16.308 3.792 1.00 1.01 C ATOM 647 CD LYS A 49 -1.548 15.336 3.632 1.00 1.07 C ATOM 648 CE LYS A 49 -0.281 15.868 4.280 1.00 1.20 C ATOM 649 NZ LYS A 49 -0.427 16.009 5.756 1.00 1.23 N ATOM 0 H LYS A 49 -5.952 14.113 3.008 1.00 0.80 H new ATOM 0 HA LYS A 49 -3.611 13.966 4.688 1.00 0.86 H new ATOM 0 HB2 LYS A 49 -3.961 15.220 2.442 1.00 0.94 H new ATOM 0 HB3 LYS A 49 -4.806 16.428 3.389 1.00 0.94 H new ATOM 0 HG2 LYS A 49 -2.545 17.177 3.154 1.00 1.01 H new ATOM 0 HG3 LYS A 49 -2.741 16.669 4.820 1.00 1.01 H new ATOM 0 HD2 LYS A 49 -1.811 14.377 4.079 1.00 1.07 H new ATOM 0 HD3 LYS A 49 -1.367 15.155 2.572 1.00 1.07 H new ATOM 0 HE2 LYS A 49 0.549 15.196 4.060 1.00 1.20 H new ATOM 0 HE3 LYS A 49 -0.031 16.836 3.846 1.00 1.20 H new ATOM 0 HZ1 LYS A 49 0.514 16.007 6.200 1.00 1.23 H new ATOM 0 HZ2 LYS A 49 -0.910 16.904 5.973 1.00 1.23 H new ATOM 0 HZ3 LYS A 49 -0.987 15.215 6.127 1.00 1.23 H new ATOM 663 N ASN A 50 -6.308 14.994 5.966 1.00 0.84 N ATOM 664 CA ASN A 50 -6.960 15.535 7.155 1.00 0.88 C ATOM 665 C ASN A 50 -6.857 14.558 8.326 1.00 0.84 C ATOM 666 O ASN A 50 -7.221 14.890 9.454 1.00 1.01 O ATOM 667 CB ASN A 50 -8.430 15.841 6.858 1.00 0.90 C ATOM 668 CG ASN A 50 -8.597 16.858 5.742 1.00 0.98 C ATOM 669 OD1 ASN A 50 -7.766 17.748 5.565 1.00 1.05 O ATOM 670 ND2 ASN A 50 -9.679 16.729 4.982 1.00 1.01 N ATOM 0 H ASN A 50 -6.922 14.445 5.365 1.00 0.84 H new ATOM 0 HA ASN A 50 -6.451 16.458 7.431 1.00 0.88 H new ATOM 0 HB2 ASN A 50 -8.942 14.918 6.584 1.00 0.90 H new ATOM 0 HB3 ASN A 50 -8.910 16.216 7.762 1.00 0.90 H new ATOM 0 HD21 ASN A 50 -9.846 17.383 4.217 1.00 1.01 H new ATOM 0 HD22 ASN A 50 -10.343 15.976 5.163 1.00 1.01 H new ATOM 677 N GLY A 51 -6.358 13.354 8.050 1.00 0.70 N ATOM 678 CA GLY A 51 -6.211 12.348 9.089 1.00 0.69 C ATOM 679 C GLY A 51 -7.387 11.392 9.150 1.00 0.64 C ATOM 680 O GLY A 51 -7.917 11.119 10.226 1.00 0.69 O ATOM 0 H GLY A 51 -6.052 13.057 7.123 1.00 0.70 H new ATOM 0 HA2 GLY A 51 -5.296 11.781 8.913 1.00 0.69 H new ATOM 0 HA3 GLY A 51 -6.100 12.842 10.054 1.00 0.69 H new ATOM 684 N LYS A 52 -7.795 10.886 7.989 1.00 0.60 N ATOM 685 CA LYS A 52 -8.919 9.954 7.906 1.00 0.57 C ATOM 686 C LYS A 52 -8.571 8.760 7.022 1.00 0.53 C ATOM 687 O LYS A 52 -7.630 8.812 6.246 1.00 0.62 O ATOM 688 CB LYS A 52 -10.159 10.665 7.352 1.00 0.62 C ATOM 689 CG LYS A 52 -10.759 11.689 8.305 1.00 0.70 C ATOM 690 CD LYS A 52 -11.870 12.492 7.642 1.00 0.86 C ATOM 691 CE LYS A 52 -13.063 11.619 7.286 1.00 0.96 C ATOM 692 NZ LYS A 52 -14.167 12.411 6.676 1.00 1.19 N ATOM 0 H LYS A 52 -7.364 11.105 7.091 1.00 0.60 H new ATOM 0 HA LYS A 52 -9.133 9.592 8.912 1.00 0.57 H new ATOM 0 HB2 LYS A 52 -9.894 11.163 6.419 1.00 0.62 H new ATOM 0 HB3 LYS A 52 -10.917 9.919 7.112 1.00 0.62 H new ATOM 0 HG2 LYS A 52 -11.153 11.180 9.185 1.00 0.70 H new ATOM 0 HG3 LYS A 52 -9.978 12.366 8.651 1.00 0.70 H new ATOM 0 HD2 LYS A 52 -12.191 13.290 8.311 1.00 0.86 H new ATOM 0 HD3 LYS A 52 -11.486 12.968 6.740 1.00 0.86 H new ATOM 0 HE2 LYS A 52 -12.749 10.840 6.592 1.00 0.96 H new ATOM 0 HE3 LYS A 52 -13.428 11.119 8.183 1.00 0.96 H new ATOM 0 HZ1 LYS A 52 -14.962 11.780 6.448 1.00 1.19 H new ATOM 0 HZ2 LYS A 52 -14.485 13.139 7.348 1.00 1.19 H new ATOM 0 HZ3 LYS A 52 -13.827 12.868 5.806 1.00 1.19 H new ATOM 706 N GLU A 53 -9.342 7.688 7.158 1.00 0.52 N ATOM 707 CA GLU A 53 -9.146 6.462 6.366 1.00 0.49 C ATOM 708 C GLU A 53 -10.504 5.889 5.944 1.00 0.49 C ATOM 709 O GLU A 53 -11.429 5.763 6.752 1.00 0.51 O ATOM 710 CB GLU A 53 -8.352 5.436 7.185 1.00 0.49 C ATOM 711 CG GLU A 53 -8.968 5.204 8.573 1.00 0.63 C ATOM 712 CD GLU A 53 -8.198 4.200 9.414 1.00 0.63 C ATOM 713 OE1 GLU A 53 -7.110 4.593 9.888 1.00 0.64 O ATOM 714 OE2 GLU A 53 -8.756 3.103 9.625 1.00 0.69 O ATOM 0 H GLU A 53 -10.120 7.636 7.816 1.00 0.52 H new ATOM 0 HA GLU A 53 -8.579 6.699 5.466 1.00 0.49 H new ATOM 0 HB2 GLU A 53 -8.314 4.491 6.643 1.00 0.49 H new ATOM 0 HB3 GLU A 53 -7.324 5.780 7.298 1.00 0.49 H new ATOM 0 HG2 GLU A 53 -9.014 6.154 9.106 1.00 0.63 H new ATOM 0 HG3 GLU A 53 -9.994 4.856 8.454 1.00 0.63 H new ATOM 721 N ILE A 54 -10.610 5.617 4.664 1.00 0.47 N ATOM 722 CA ILE A 54 -11.841 5.020 4.106 1.00 0.47 C ATOM 723 C ILE A 54 -11.487 3.768 3.290 1.00 0.45 C ATOM 724 O ILE A 54 -10.314 3.437 3.094 1.00 0.43 O ATOM 725 CB ILE A 54 -12.636 6.062 3.296 1.00 0.49 C ATOM 726 CG1 ILE A 54 -11.828 6.557 2.083 1.00 0.48 C ATOM 727 CG2 ILE A 54 -13.120 7.199 4.215 1.00 0.53 C ATOM 728 CD1 ILE A 54 -12.602 7.463 1.122 1.00 0.51 C ATOM 0 H ILE A 54 -9.875 5.791 3.979 1.00 0.47 H new ATOM 0 HA ILE A 54 -12.496 4.703 4.918 1.00 0.47 H new ATOM 0 HB ILE A 54 -13.529 5.591 2.885 1.00 0.49 H new ATOM 0 HG12 ILE A 54 -10.953 7.097 2.443 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -11.463 5.692 1.530 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -13.680 7.927 3.629 1.00 0.53 H new ATOM 0 HG22 ILE A 54 -13.763 6.789 4.994 1.00 0.53 H new ATOM 0 HG23 ILE A 54 -12.260 7.687 4.674 1.00 0.53 H new ATOM 0 HD11 ILE A 54 -11.952 7.761 0.300 1.00 0.51 H new ATOM 0 HD12 ILE A 54 -13.462 6.923 0.727 1.00 0.51 H new ATOM 0 HD13 ILE A 54 -12.944 8.351 1.654 1.00 0.51 H new ATOM 740 N CYS A 55 -12.530 3.154 2.751 1.00 0.46 N ATOM 741 CA CYS A 55 -12.392 1.970 1.892 1.00 0.44 C ATOM 742 C CYS A 55 -13.135 2.209 0.587 1.00 0.46 C ATOM 743 O CYS A 55 -14.273 2.669 0.564 1.00 0.49 O ATOM 744 CB CYS A 55 -12.993 0.752 2.580 1.00 0.45 C ATOM 745 SG CYS A 55 -12.047 0.188 4.038 1.00 0.43 S ATOM 0 H CYS A 55 -13.495 3.455 2.891 1.00 0.46 H new ATOM 0 HA CYS A 55 -11.334 1.793 1.699 1.00 0.44 H new ATOM 0 HB2 CYS A 55 -14.012 0.986 2.888 1.00 0.45 H new ATOM 0 HB3 CYS A 55 -13.057 -0.065 1.861 1.00 0.45 H new ATOM 750 N LEU A 56 -12.491 1.794 -0.480 1.00 0.46 N ATOM 751 CA LEU A 56 -13.039 1.968 -1.822 1.00 0.49 C ATOM 752 C LEU A 56 -13.350 0.588 -2.408 1.00 0.50 C ATOM 753 O LEU A 56 -12.708 -0.413 -2.072 1.00 0.48 O ATOM 754 CB LEU A 56 -11.958 2.756 -2.576 1.00 0.49 C ATOM 755 CG LEU A 56 -11.570 4.139 -2.038 1.00 0.48 C ATOM 756 CD1 LEU A 56 -10.658 4.825 -3.053 1.00 0.49 C ATOM 757 CD2 LEU A 56 -12.782 5.025 -1.738 1.00 0.51 C ATOM 0 H LEU A 56 -11.583 1.331 -0.453 1.00 0.46 H new ATOM 0 HA LEU A 56 -13.981 2.514 -1.871 1.00 0.49 H new ATOM 0 HB2 LEU A 56 -11.057 2.144 -2.605 1.00 0.49 H new ATOM 0 HB3 LEU A 56 -12.292 2.880 -3.606 1.00 0.49 H new ATOM 0 HG LEU A 56 -11.052 3.993 -1.090 1.00 0.48 H new ATOM 0 HD11 LEU A 56 -10.375 5.810 -2.681 1.00 0.49 H new ATOM 0 HD12 LEU A 56 -9.762 4.223 -3.202 1.00 0.49 H new ATOM 0 HD13 LEU A 56 -11.185 4.933 -4.001 1.00 0.49 H new ATOM 0 HD21 LEU A 56 -12.443 5.990 -1.361 1.00 0.51 H new ATOM 0 HD22 LEU A 56 -13.358 5.175 -2.651 1.00 0.51 H new ATOM 0 HD23 LEU A 56 -13.409 4.542 -0.988 1.00 0.51 H new ATOM 769 N ASP A 57 -14.325 0.485 -3.303 1.00 0.53 N ATOM 770 CA ASP A 57 -14.631 -0.810 -3.924 1.00 0.54 C ATOM 771 C ASP A 57 -14.095 -0.863 -5.361 1.00 0.57 C ATOM 772 O ASP A 57 -14.714 -0.308 -6.267 1.00 0.62 O ATOM 773 CB ASP A 57 -16.137 -1.078 -3.932 1.00 0.59 C ATOM 774 CG ASP A 57 -16.471 -2.560 -3.907 1.00 0.60 C ATOM 775 OD1 ASP A 57 -15.603 -3.378 -4.283 1.00 0.62 O ATOM 776 OD2 ASP A 57 -17.605 -2.904 -3.513 1.00 0.67 O ATOM 0 H ASP A 57 -14.910 1.261 -3.614 1.00 0.53 H new ATOM 0 HA ASP A 57 -14.141 -1.581 -3.329 1.00 0.54 H new ATOM 0 HB2 ASP A 57 -16.592 -0.593 -3.069 1.00 0.59 H new ATOM 0 HB3 ASP A 57 -16.577 -0.626 -4.821 1.00 0.59 H new ATOM 781 N PRO A 58 -12.936 -1.540 -5.589 1.00 0.58 N ATOM 782 CA PRO A 58 -12.319 -1.668 -6.930 1.00 0.64 C ATOM 783 C PRO A 58 -13.287 -2.221 -7.978 1.00 0.73 C ATOM 784 O PRO A 58 -13.065 -2.095 -9.183 1.00 0.86 O ATOM 785 CB PRO A 58 -11.177 -2.661 -6.707 1.00 0.68 C ATOM 786 CG PRO A 58 -10.858 -2.585 -5.257 1.00 0.63 C ATOM 787 CD PRO A 58 -12.139 -2.228 -4.554 1.00 0.59 C ATOM 0 HA PRO A 58 -12.002 -0.698 -7.314 1.00 0.64 H new ATOM 0 HB2 PRO A 58 -11.475 -3.671 -6.990 1.00 0.68 H new ATOM 0 HB3 PRO A 58 -10.309 -2.403 -7.313 1.00 0.68 H new ATOM 0 HG2 PRO A 58 -10.470 -3.537 -4.895 1.00 0.63 H new ATOM 0 HG3 PRO A 58 -10.090 -1.835 -5.068 1.00 0.63 H new ATOM 0 HD2 PRO A 58 -12.650 -3.116 -4.181 1.00 0.59 H new ATOM 0 HD3 PRO A 58 -11.956 -1.581 -3.696 1.00 0.59 H new ATOM 795 N GLU A 59 -14.357 -2.827 -7.487 1.00 0.69 N ATOM 796 CA GLU A 59 -15.414 -3.416 -8.319 1.00 0.81 C ATOM 797 C GLU A 59 -16.181 -2.380 -9.171 1.00 0.87 C ATOM 798 O GLU A 59 -16.891 -2.737 -10.111 1.00 0.96 O ATOM 799 CB GLU A 59 -16.373 -4.188 -7.408 1.00 0.84 C ATOM 800 CG GLU A 59 -17.368 -5.019 -8.219 1.00 1.11 C ATOM 801 CD GLU A 59 -18.305 -5.839 -7.339 1.00 1.18 C ATOM 802 OE1 GLU A 59 -19.027 -5.213 -6.531 1.00 1.35 O ATOM 803 OE2 GLU A 59 -18.262 -7.074 -7.499 1.00 1.29 O ATOM 0 H GLU A 59 -14.525 -2.929 -6.486 1.00 0.69 H new ATOM 0 HA GLU A 59 -14.940 -4.084 -9.037 1.00 0.81 H new ATOM 0 HB2 GLU A 59 -15.803 -4.842 -6.749 1.00 0.84 H new ATOM 0 HB3 GLU A 59 -16.915 -3.488 -6.772 1.00 0.84 H new ATOM 0 HG2 GLU A 59 -17.958 -4.356 -8.852 1.00 1.11 H new ATOM 0 HG3 GLU A 59 -16.820 -5.689 -8.882 1.00 1.11 H new ATOM 810 N ALA A 60 -16.057 -1.106 -8.823 1.00 0.84 N ATOM 811 CA ALA A 60 -16.749 -0.031 -9.537 1.00 0.92 C ATOM 812 C ALA A 60 -15.793 0.675 -10.519 1.00 0.95 C ATOM 813 O ALA A 60 -14.693 1.078 -10.130 1.00 0.92 O ATOM 814 CB ALA A 60 -17.315 0.933 -8.498 1.00 0.91 C ATOM 0 H ALA A 60 -15.480 -0.786 -8.045 1.00 0.84 H new ATOM 0 HA ALA A 60 -17.565 -0.433 -10.138 1.00 0.92 H new ATOM 0 HB1 ALA A 60 -17.837 1.746 -9.002 1.00 0.91 H new ATOM 0 HB2 ALA A 60 -18.012 0.401 -7.850 1.00 0.91 H new ATOM 0 HB3 ALA A 60 -16.501 1.341 -7.899 1.00 0.91 H new ATOM 820 N PRO A 61 -16.265 0.925 -11.747 1.00 1.04 N ATOM 821 CA PRO A 61 -15.468 1.571 -12.812 1.00 1.08 C ATOM 822 C PRO A 61 -15.091 3.025 -12.492 1.00 1.06 C ATOM 823 O PRO A 61 -13.919 3.389 -12.574 1.00 1.05 O ATOM 824 CB PRO A 61 -16.342 1.474 -14.062 1.00 1.20 C ATOM 825 CG PRO A 61 -17.765 1.487 -13.505 1.00 1.24 C ATOM 826 CD PRO A 61 -17.641 0.670 -12.219 1.00 1.13 C ATOM 0 HA PRO A 61 -14.506 1.074 -12.935 1.00 1.08 H new ATOM 0 HB2 PRO A 61 -16.168 2.311 -14.739 1.00 1.20 H new ATOM 0 HB3 PRO A 61 -16.139 0.562 -14.624 1.00 1.20 H new ATOM 0 HG2 PRO A 61 -18.111 2.501 -13.306 1.00 1.24 H new ATOM 0 HG3 PRO A 61 -18.474 1.039 -14.201 1.00 1.24 H new ATOM 0 HD2 PRO A 61 -18.378 0.981 -11.479 1.00 1.13 H new ATOM 0 HD3 PRO A 61 -17.806 -0.391 -12.406 1.00 1.13 H new ATOM 834 N PHE A 62 -16.047 3.777 -11.940 1.00 1.08 N ATOM 835 CA PHE A 62 -15.821 5.175 -11.515 1.00 1.08 C ATOM 836 C PHE A 62 -14.737 5.274 -10.438 1.00 0.97 C ATOM 837 O PHE A 62 -14.013 6.263 -10.350 1.00 0.97 O ATOM 838 CB PHE A 62 -17.114 5.821 -11.002 1.00 1.15 C ATOM 839 CG PHE A 62 -17.664 5.155 -9.738 1.00 1.13 C ATOM 840 CD1 PHE A 62 -17.239 5.585 -8.487 1.00 1.08 C ATOM 841 CD2 PHE A 62 -18.608 4.144 -9.850 1.00 1.18 C ATOM 842 CE1 PHE A 62 -17.762 5.004 -7.342 1.00 1.10 C ATOM 843 CE2 PHE A 62 -19.143 3.575 -8.703 1.00 1.19 C ATOM 844 CZ PHE A 62 -18.715 3.998 -7.455 1.00 1.15 C ATOM 0 H PHE A 62 -16.996 3.443 -11.773 1.00 1.08 H new ATOM 0 HA PHE A 62 -15.482 5.716 -12.398 1.00 1.08 H new ATOM 0 HB2 PHE A 62 -16.929 6.875 -10.797 1.00 1.15 H new ATOM 0 HB3 PHE A 62 -17.870 5.777 -11.786 1.00 1.15 H new ATOM 0 HD1 PHE A 62 -16.502 6.371 -8.407 1.00 1.08 H new ATOM 0 HD2 PHE A 62 -18.924 3.802 -10.824 1.00 1.18 H new ATOM 0 HE1 PHE A 62 -17.431 5.331 -6.367 1.00 1.10 H new ATOM 0 HE2 PHE A 62 -19.893 2.802 -8.783 1.00 1.19 H new ATOM 0 HZ PHE A 62 -19.124 3.544 -6.565 1.00 1.15 H new ATOM 854 N LEU A 63 -14.566 4.191 -9.691 1.00 0.89 N ATOM 855 CA LEU A 63 -13.548 4.135 -8.655 1.00 0.79 C ATOM 856 C LEU A 63 -12.191 3.765 -9.268 1.00 0.80 C ATOM 857 O LEU A 63 -11.142 4.138 -8.749 1.00 0.80 O ATOM 858 CB LEU A 63 -13.950 3.118 -7.592 1.00 0.72 C ATOM 859 CG LEU A 63 -13.283 3.310 -6.237 1.00 0.64 C ATOM 860 CD1 LEU A 63 -14.331 3.287 -5.138 1.00 0.60 C ATOM 861 CD2 LEU A 63 -12.226 2.235 -6.007 1.00 0.63 C ATOM 0 H LEU A 63 -15.120 3.340 -9.785 1.00 0.89 H new ATOM 0 HA LEU A 63 -13.458 5.115 -8.187 1.00 0.79 H new ATOM 0 HB2 LEU A 63 -15.031 3.162 -7.458 1.00 0.72 H new ATOM 0 HB3 LEU A 63 -13.715 2.119 -7.958 1.00 0.72 H new ATOM 0 HG LEU A 63 -12.785 4.279 -6.219 1.00 0.64 H new ATOM 0 HD11 LEU A 63 -13.847 3.425 -4.171 1.00 0.60 H new ATOM 0 HD12 LEU A 63 -15.049 4.091 -5.303 1.00 0.60 H new ATOM 0 HD13 LEU A 63 -14.850 2.329 -5.151 1.00 0.60 H new ATOM 0 HD21 LEU A 63 -11.759 2.387 -5.034 1.00 0.63 H new ATOM 0 HD22 LEU A 63 -12.695 1.252 -6.035 1.00 0.63 H new ATOM 0 HD23 LEU A 63 -11.468 2.298 -6.787 1.00 0.63 H new ATOM 873 N LYS A 64 -12.236 3.037 -10.385 1.00 0.85 N ATOM 874 CA LYS A 64 -11.029 2.609 -11.102 1.00 0.90 C ATOM 875 C LYS A 64 -10.468 3.757 -11.960 1.00 0.94 C ATOM 876 O LYS A 64 -9.335 3.707 -12.442 1.00 0.99 O ATOM 877 CB LYS A 64 -11.359 1.393 -11.979 1.00 1.00 C ATOM 878 CG LYS A 64 -10.178 0.842 -12.765 1.00 1.10 C ATOM 879 CD LYS A 64 -10.629 -0.096 -13.877 1.00 1.26 C ATOM 880 CE LYS A 64 -11.364 0.651 -14.982 1.00 1.46 C ATOM 881 NZ LYS A 64 -11.690 -0.235 -16.135 1.00 1.71 N ATOM 0 H LYS A 64 -13.106 2.727 -10.819 1.00 0.85 H new ATOM 0 HA LYS A 64 -10.266 2.331 -10.376 1.00 0.90 H new ATOM 0 HB2 LYS A 64 -11.758 0.601 -11.345 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -12.148 1.669 -12.679 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -9.609 1.667 -13.194 1.00 1.10 H new ATOM 0 HG3 LYS A 64 -9.508 0.310 -12.090 1.00 1.10 H new ATOM 0 HD2 LYS A 64 -9.762 -0.606 -14.297 1.00 1.26 H new ATOM 0 HD3 LYS A 64 -11.281 -0.865 -13.462 1.00 1.26 H new ATOM 0 HE2 LYS A 64 -12.284 1.077 -14.581 1.00 1.46 H new ATOM 0 HE3 LYS A 64 -10.750 1.483 -15.327 1.00 1.46 H new ATOM 0 HZ1 LYS A 64 -12.190 0.313 -16.864 1.00 1.71 H new ATOM 0 HZ2 LYS A 64 -10.811 -0.622 -16.535 1.00 1.71 H new ATOM 0 HZ3 LYS A 64 -12.297 -1.015 -15.812 1.00 1.71 H new ATOM 895 N LYS A 65 -11.283 4.786 -12.137 1.00 0.94 N ATOM 896 CA LYS A 65 -10.908 5.978 -12.919 1.00 0.99 C ATOM 897 C LYS A 65 -10.005 6.943 -12.146 1.00 0.96 C ATOM 898 O LYS A 65 -8.859 7.169 -12.532 1.00 1.01 O ATOM 899 CB LYS A 65 -12.167 6.711 -13.362 1.00 1.02 C ATOM 900 CG LYS A 65 -12.999 5.865 -14.326 1.00 1.09 C ATOM 901 CD LYS A 65 -14.200 6.656 -14.854 1.00 1.15 C ATOM 902 CE LYS A 65 -13.785 7.855 -15.720 1.00 1.21 C ATOM 903 NZ LYS A 65 -13.066 7.426 -16.929 1.00 1.29 N ATOM 0 H LYS A 65 -12.225 4.828 -11.747 1.00 0.94 H new ATOM 0 HA LYS A 65 -10.339 5.627 -13.780 1.00 0.99 H new ATOM 0 HB2 LYS A 65 -12.767 6.965 -12.489 1.00 1.02 H new ATOM 0 HB3 LYS A 65 -11.892 7.649 -13.844 1.00 1.02 H new ATOM 0 HG2 LYS A 65 -12.377 5.541 -15.160 1.00 1.09 H new ATOM 0 HG3 LYS A 65 -13.346 4.965 -13.819 1.00 1.09 H new ATOM 0 HD2 LYS A 65 -14.837 5.993 -15.439 1.00 1.15 H new ATOM 0 HD3 LYS A 65 -14.796 7.010 -14.012 1.00 1.15 H new ATOM 0 HE2 LYS A 65 -14.671 8.423 -16.005 1.00 1.21 H new ATOM 0 HE3 LYS A 65 -13.152 8.524 -15.137 1.00 1.21 H new ATOM 0 HZ1 LYS A 65 -12.980 8.229 -17.585 1.00 1.29 H new ATOM 0 HZ2 LYS A 65 -12.117 7.089 -16.668 1.00 1.29 H new ATOM 0 HZ3 LYS A 65 -13.592 6.657 -17.391 1.00 1.29 H new ATOM 917 N VAL A 66 -10.498 7.393 -10.993 1.00 0.90 N ATOM 918 CA VAL A 66 -9.750 8.299 -10.131 1.00 0.88 C ATOM 919 C VAL A 66 -8.433 7.675 -9.656 1.00 0.88 C ATOM 920 O VAL A 66 -7.468 8.394 -9.398 1.00 0.91 O ATOM 921 CB VAL A 66 -10.583 8.737 -8.907 1.00 0.85 C ATOM 922 CG1 VAL A 66 -11.678 9.704 -9.331 1.00 0.87 C ATOM 923 CG2 VAL A 66 -11.182 7.534 -8.191 1.00 0.85 C ATOM 0 H VAL A 66 -11.419 7.141 -10.635 1.00 0.90 H new ATOM 0 HA VAL A 66 -9.522 9.178 -10.734 1.00 0.88 H new ATOM 0 HB VAL A 66 -9.917 9.245 -8.209 1.00 0.85 H new ATOM 0 HG11 VAL A 66 -12.257 10.004 -8.457 1.00 0.87 H new ATOM 0 HG12 VAL A 66 -11.228 10.585 -9.788 1.00 0.87 H new ATOM 0 HG13 VAL A 66 -12.335 9.217 -10.052 1.00 0.87 H new ATOM 0 HG21 VAL A 66 -11.763 7.873 -7.333 1.00 0.85 H new ATOM 0 HG22 VAL A 66 -11.831 6.989 -8.876 1.00 0.85 H new ATOM 0 HG23 VAL A 66 -10.381 6.878 -7.850 1.00 0.85 H new ATOM 933 N ILE A 67 -8.383 6.336 -9.549 1.00 0.88 N ATOM 934 CA ILE A 67 -7.155 5.665 -9.124 1.00 0.91 C ATOM 935 C ILE A 67 -6.152 5.610 -10.274 1.00 0.98 C ATOM 936 O ILE A 67 -4.963 5.395 -10.057 1.00 1.05 O ATOM 937 CB ILE A 67 -7.386 4.245 -8.558 1.00 0.92 C ATOM 938 CG1 ILE A 67 -7.917 3.300 -9.636 1.00 0.93 C ATOM 939 CG2 ILE A 67 -8.331 4.299 -7.366 1.00 0.89 C ATOM 940 CD1 ILE A 67 -7.995 1.853 -9.192 1.00 1.00 C ATOM 0 H ILE A 67 -9.165 5.712 -9.748 1.00 0.88 H new ATOM 0 HA ILE A 67 -6.754 6.263 -8.306 1.00 0.91 H new ATOM 0 HB ILE A 67 -6.427 3.852 -8.221 1.00 0.92 H new ATOM 0 HG12 ILE A 67 -8.910 3.632 -9.941 1.00 0.93 H new ATOM 0 HG13 ILE A 67 -7.275 3.367 -10.514 1.00 0.93 H new ATOM 0 HG21 ILE A 67 -8.485 3.292 -6.978 1.00 0.89 H new ATOM 0 HG22 ILE A 67 -7.898 4.926 -6.587 1.00 0.89 H new ATOM 0 HG23 ILE A 67 -9.288 4.717 -7.679 1.00 0.89 H new ATOM 0 HD11 ILE A 67 -8.380 1.242 -10.008 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -7.000 1.503 -8.915 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -8.661 1.771 -8.333 1.00 1.00 H new ATOM 952 N GLN A 68 -6.640 5.777 -11.506 1.00 0.99 N ATOM 953 CA GLN A 68 -5.737 5.828 -12.668 1.00 1.08 C ATOM 954 C GLN A 68 -4.887 7.106 -12.632 1.00 1.06 C ATOM 955 O GLN A 68 -3.672 7.056 -12.825 1.00 1.09 O ATOM 956 CB GLN A 68 -6.552 5.780 -13.952 1.00 1.16 C ATOM 957 CG GLN A 68 -5.641 5.637 -15.165 1.00 1.27 C ATOM 958 CD GLN A 68 -6.468 5.561 -16.442 1.00 1.37 C ATOM 959 OE1 GLN A 68 -7.294 6.402 -16.763 1.00 1.41 O ATOM 960 NE2 GLN A 68 -6.195 4.529 -17.206 1.00 1.52 N ATOM 0 H GLN A 68 -7.631 5.877 -11.727 1.00 0.99 H new ATOM 0 HA GLN A 68 -5.069 4.968 -12.633 1.00 1.08 H new ATOM 0 HB2 GLN A 68 -7.249 4.943 -13.914 1.00 1.16 H new ATOM 0 HB3 GLN A 68 -7.148 6.688 -14.044 1.00 1.16 H new ATOM 0 HG2 GLN A 68 -4.957 6.484 -15.217 1.00 1.27 H new ATOM 0 HG3 GLN A 68 -5.030 4.740 -15.066 1.00 1.27 H new ATOM 0 HE21 GLN A 68 -5.500 3.844 -16.909 1.00 1.52 H new ATOM 0 HE22 GLN A 68 -6.678 4.412 -18.097 1.00 1.52 H new ATOM 969 N LYS A 69 -5.528 8.227 -12.299 1.00 1.05 N ATOM 970 CA LYS A 69 -4.859 9.530 -12.243 1.00 1.06 C ATOM 971 C LYS A 69 -3.820 9.637 -11.118 1.00 1.08 C ATOM 972 O LYS A 69 -2.902 10.454 -11.208 1.00 1.15 O ATOM 973 CB LYS A 69 -5.893 10.645 -12.080 1.00 1.03 C ATOM 974 CG LYS A 69 -6.816 10.806 -13.276 1.00 1.10 C ATOM 975 CD LYS A 69 -7.619 12.096 -13.188 1.00 1.19 C ATOM 976 CE LYS A 69 -8.498 12.292 -14.413 1.00 1.38 C ATOM 977 NZ LYS A 69 -9.144 13.634 -14.424 1.00 1.58 N ATOM 0 H LYS A 69 -6.519 8.259 -12.062 1.00 1.05 H new ATOM 0 HA LYS A 69 -4.323 9.636 -13.186 1.00 1.06 H new ATOM 0 HB2 LYS A 69 -6.494 10.443 -11.194 1.00 1.03 H new ATOM 0 HB3 LYS A 69 -5.373 11.587 -11.905 1.00 1.03 H new ATOM 0 HG2 LYS A 69 -6.228 10.803 -14.194 1.00 1.10 H new ATOM 0 HG3 LYS A 69 -7.496 9.956 -13.330 1.00 1.10 H new ATOM 0 HD2 LYS A 69 -8.240 12.078 -12.293 1.00 1.19 H new ATOM 0 HD3 LYS A 69 -6.939 12.942 -13.088 1.00 1.19 H new ATOM 0 HE2 LYS A 69 -7.897 12.171 -15.314 1.00 1.38 H new ATOM 0 HE3 LYS A 69 -9.266 11.519 -14.436 1.00 1.38 H new ATOM 0 HZ1 LYS A 69 -9.735 13.728 -15.275 1.00 1.58 H new ATOM 0 HZ2 LYS A 69 -9.738 13.740 -13.577 1.00 1.58 H new ATOM 0 HZ3 LYS A 69 -8.411 14.372 -14.428 1.00 1.58 H new ATOM 991 N ILE A 70 -3.951 8.829 -10.061 1.00 1.07 N ATOM 992 CA ILE A 70 -2.998 8.893 -8.945 1.00 1.12 C ATOM 993 C ILE A 70 -1.665 8.239 -9.302 1.00 1.25 C ATOM 994 O ILE A 70 -0.670 8.415 -8.599 1.00 1.37 O ATOM 995 CB ILE A 70 -3.550 8.243 -7.654 1.00 1.09 C ATOM 996 CG1 ILE A 70 -3.591 6.717 -7.780 1.00 1.09 C ATOM 997 CG2 ILE A 70 -4.930 8.794 -7.332 1.00 1.14 C ATOM 998 CD1 ILE A 70 -4.081 6.014 -6.533 1.00 1.19 C ATOM 0 H ILE A 70 -4.691 8.136 -9.953 1.00 1.07 H new ATOM 0 HA ILE A 70 -2.840 9.955 -8.756 1.00 1.12 H new ATOM 0 HB ILE A 70 -2.877 8.492 -6.833 1.00 1.09 H new ATOM 0 HG12 ILE A 70 -4.238 6.448 -8.615 1.00 1.09 H new ATOM 0 HG13 ILE A 70 -2.592 6.355 -8.021 1.00 1.09 H new ATOM 0 HG21 ILE A 70 -5.305 8.327 -6.421 1.00 1.14 H new ATOM 0 HG22 ILE A 70 -4.866 9.872 -7.187 1.00 1.14 H new ATOM 0 HG23 ILE A 70 -5.609 8.578 -8.157 1.00 1.14 H new ATOM 0 HD11 ILE A 70 -4.082 4.937 -6.699 1.00 1.19 H new ATOM 0 HD12 ILE A 70 -3.421 6.252 -5.698 1.00 1.19 H new ATOM 0 HD13 ILE A 70 -5.093 6.346 -6.302 1.00 1.19 H new ATOM 1010 N LEU A 71 -1.650 7.489 -10.399 1.00 1.26 N ATOM 1011 CA LEU A 71 -0.436 6.823 -10.853 1.00 1.41 C ATOM 1012 C LEU A 71 0.330 7.715 -11.828 1.00 1.52 C ATOM 1013 O LEU A 71 1.437 7.383 -12.253 1.00 1.64 O ATOM 1014 CB LEU A 71 -0.780 5.489 -11.521 1.00 1.45 C ATOM 1015 CG LEU A 71 -1.631 4.538 -10.675 1.00 1.55 C ATOM 1016 CD1 LEU A 71 -2.136 3.379 -11.521 1.00 1.67 C ATOM 1017 CD2 LEU A 71 -0.836 4.022 -9.483 1.00 1.60 C ATOM 0 H LEU A 71 -2.466 7.328 -10.990 1.00 1.26 H new ATOM 0 HA LEU A 71 0.196 6.630 -9.986 1.00 1.41 H new ATOM 0 HB2 LEU A 71 -1.308 5.693 -12.452 1.00 1.45 H new ATOM 0 HB3 LEU A 71 0.149 4.983 -11.785 1.00 1.45 H new ATOM 0 HG LEU A 71 -2.492 5.091 -10.299 1.00 1.55 H new ATOM 0 HD11 LEU A 71 -2.739 2.713 -10.903 1.00 1.67 H new ATOM 0 HD12 LEU A 71 -2.744 3.764 -12.340 1.00 1.67 H new ATOM 0 HD13 LEU A 71 -1.288 2.828 -11.927 1.00 1.67 H new ATOM 0 HD21 LEU A 71 -1.459 3.348 -8.895 1.00 1.60 H new ATOM 0 HD22 LEU A 71 0.045 3.486 -9.837 1.00 1.60 H new ATOM 0 HD23 LEU A 71 -0.524 4.862 -8.863 1.00 1.60 H new ATOM 1029 N ASP A 72 -0.272 8.852 -12.170 1.00 1.53 N ATOM 1030 CA ASP A 72 0.333 9.803 -13.093 1.00 1.68 C ATOM 1031 C ASP A 72 0.942 10.968 -12.324 1.00 1.68 C ATOM 1032 O ASP A 72 2.148 11.206 -12.387 1.00 1.76 O ATOM 1033 CB ASP A 72 -0.711 10.315 -14.087 1.00 1.76 C ATOM 1034 CG ASP A 72 -0.120 11.258 -15.116 1.00 2.00 C ATOM 1035 OD1 ASP A 72 0.662 10.790 -15.970 1.00 2.21 O ATOM 1036 OD2 ASP A 72 -0.434 12.467 -15.066 1.00 2.06 O ATOM 0 H ASP A 72 -1.186 9.136 -11.817 1.00 1.53 H new ATOM 0 HA ASP A 72 1.124 9.297 -13.647 1.00 1.68 H new ATOM 0 HB2 ASP A 72 -1.169 9.467 -14.597 1.00 1.76 H new ATOM 0 HB3 ASP A 72 -1.505 10.827 -13.543 1.00 1.76 H new ATOM 1041 N GLY A 73 0.103 11.681 -11.574 1.00 1.62 N ATOM 1042 CA GLY A 73 0.575 12.819 -10.802 1.00 1.66 C ATOM 1043 C GLY A 73 1.207 12.422 -9.479 1.00 1.69 C ATOM 1044 O GLY A 73 1.882 13.232 -8.841 1.00 1.77 O ATOM 0 H GLY A 73 -0.895 11.490 -11.488 1.00 1.62 H new ATOM 0 HA2 GLY A 73 1.303 13.374 -11.393 1.00 1.66 H new ATOM 0 HA3 GLY A 73 -0.261 13.492 -10.611 1.00 1.66 H new ATOM 1048 N GLY A 74 0.999 11.170 -9.070 1.00 1.67 N ATOM 1049 CA GLY A 74 1.553 10.691 -7.813 1.00 1.75 C ATOM 1050 C GLY A 74 3.001 10.244 -7.933 1.00 1.85 C ATOM 1051 O GLY A 74 3.658 9.977 -6.927 1.00 2.09 O ATOM 0 H GLY A 74 0.456 10.479 -9.588 1.00 1.67 H new ATOM 0 HA2 GLY A 74 1.484 11.483 -7.067 1.00 1.75 H new ATOM 0 HA3 GLY A 74 0.950 9.858 -7.451 1.00 1.75 H new ATOM 1055 N ASN A 75 3.497 10.161 -9.165 1.00 1.80 N ATOM 1056 CA ASN A 75 4.873 9.745 -9.412 1.00 1.90 C ATOM 1057 C ASN A 75 5.681 10.895 -10.010 1.00 1.93 C ATOM 1058 O ASN A 75 6.902 10.808 -10.150 1.00 2.01 O ATOM 1059 CB ASN A 75 4.891 8.539 -10.355 1.00 1.95 C ATOM 1060 CG ASN A 75 6.189 7.757 -10.284 1.00 2.13 C ATOM 1061 OD1 ASN A 75 6.833 7.690 -9.238 1.00 2.29 O ATOM 1062 ND2 ASN A 75 6.577 7.159 -11.403 1.00 2.25 N ATOM 0 H ASN A 75 2.965 10.377 -10.008 1.00 1.80 H new ATOM 0 HA ASN A 75 5.329 9.462 -8.463 1.00 1.90 H new ATOM 0 HB2 ASN A 75 4.060 7.878 -10.108 1.00 1.95 H new ATOM 0 HB3 ASN A 75 4.734 8.881 -11.378 1.00 1.95 H new ATOM 0 HD21 ASN A 75 7.441 6.617 -11.418 1.00 2.25 H new ATOM 0 HD22 ASN A 75 6.011 7.241 -12.248 1.00 2.25 H new ATOM 1069 N LYS A 76 4.987 11.976 -10.358 1.00 1.89 N ATOM 1070 CA LYS A 76 5.625 13.150 -10.945 1.00 1.95 C ATOM 1071 C LYS A 76 6.265 14.032 -9.873 1.00 1.94 C ATOM 1072 O LYS A 76 7.287 14.675 -10.117 1.00 2.06 O ATOM 1073 CB LYS A 76 4.595 13.958 -11.748 1.00 1.98 C ATOM 1074 CG LYS A 76 5.152 15.233 -12.364 1.00 2.12 C ATOM 1075 CD LYS A 76 6.177 14.939 -13.452 1.00 2.23 C ATOM 1076 CE LYS A 76 6.966 16.185 -13.826 1.00 2.43 C ATOM 1077 NZ LYS A 76 7.772 16.695 -12.682 1.00 2.44 N ATOM 0 H LYS A 76 3.977 12.062 -10.242 1.00 1.89 H new ATOM 0 HA LYS A 76 6.416 12.807 -11.612 1.00 1.95 H new ATOM 0 HB2 LYS A 76 4.194 13.328 -12.542 1.00 1.98 H new ATOM 0 HB3 LYS A 76 3.762 14.216 -11.094 1.00 1.98 H new ATOM 0 HG2 LYS A 76 4.335 15.820 -12.784 1.00 2.12 H new ATOM 0 HG3 LYS A 76 5.613 15.841 -11.585 1.00 2.12 H new ATOM 0 HD2 LYS A 76 6.861 14.163 -13.109 1.00 2.23 H new ATOM 0 HD3 LYS A 76 5.670 14.549 -14.335 1.00 2.23 H new ATOM 0 HE2 LYS A 76 7.626 15.959 -14.663 1.00 2.43 H new ATOM 0 HE3 LYS A 76 6.280 16.962 -14.162 1.00 2.43 H new ATOM 0 HZ1 LYS A 76 8.760 16.821 -12.982 1.00 2.44 H new ATOM 0 HZ2 LYS A 76 7.387 17.608 -12.366 1.00 2.44 H new ATOM 0 HZ3 LYS A 76 7.733 16.012 -11.898 1.00 2.44 H new ATOM 1091 N GLU A 77 5.663 14.052 -8.686 1.00 1.87 N ATOM 1092 CA GLU A 77 6.172 14.861 -7.583 1.00 1.89 C ATOM 1093 C GLU A 77 7.467 14.276 -7.031 1.00 1.98 C ATOM 1094 O GLU A 77 7.469 13.214 -6.410 1.00 2.00 O ATOM 1095 CB GLU A 77 5.121 14.967 -6.475 1.00 1.87 C ATOM 1096 CG GLU A 77 3.781 15.500 -6.957 1.00 1.96 C ATOM 1097 CD GLU A 77 3.895 16.866 -7.610 1.00 2.31 C ATOM 1098 OE1 GLU A 77 3.890 17.877 -6.878 1.00 2.58 O ATOM 1099 OE2 GLU A 77 3.990 16.923 -8.855 1.00 2.70 O ATOM 0 H GLU A 77 4.823 13.518 -8.464 1.00 1.87 H new ATOM 0 HA GLU A 77 6.386 15.860 -7.963 1.00 1.89 H new ATOM 0 HB2 GLU A 77 4.973 13.983 -6.031 1.00 1.87 H new ATOM 0 HB3 GLU A 77 5.500 15.618 -5.687 1.00 1.87 H new ATOM 0 HG2 GLU A 77 3.349 14.796 -7.669 1.00 1.96 H new ATOM 0 HG3 GLU A 77 3.094 15.561 -6.113 1.00 1.96 H new ATOM 1106 N ASN A 78 8.569 14.977 -7.270 1.00 2.12 N ATOM 1107 CA ASN A 78 9.877 14.529 -6.809 1.00 2.28 C ATOM 1108 C ASN A 78 10.492 15.539 -5.848 1.00 2.39 C ATOM 1109 O ASN A 78 11.153 16.488 -6.324 1.00 2.53 O ATOM 1110 CB ASN A 78 10.811 14.306 -8.004 1.00 2.46 C ATOM 1111 CG ASN A 78 10.384 13.135 -8.872 1.00 2.45 C ATOM 1112 OD1 ASN A 78 10.570 13.153 -10.090 1.00 2.56 O ATOM 1113 ND2 ASN A 78 9.811 12.107 -8.254 1.00 2.39 N ATOM 1114 OXT ASN A 78 10.312 15.371 -4.625 1.00 2.41 O ATOM 0 H ASN A 78 8.582 15.859 -7.781 1.00 2.12 H new ATOM 0 HA ASN A 78 9.745 13.587 -6.277 1.00 2.28 H new ATOM 0 HB2 ASN A 78 10.840 15.211 -8.611 1.00 2.46 H new ATOM 0 HB3 ASN A 78 11.824 14.133 -7.641 1.00 2.46 H new ATOM 0 HD21 ASN A 78 9.507 11.294 -8.790 1.00 2.39 H new ATOM 0 HD22 ASN A 78 9.675 12.131 -7.243 1.00 2.39 H new TER 1121 ASN A 78 ATOM 1122 N LEU B 8 7.639 20.482 16.199 1.00 0.80 N ATOM 1123 CA LEU B 8 8.160 21.054 14.939 1.00 0.77 C ATOM 1124 C LEU B 8 9.633 21.487 15.119 1.00 0.77 C ATOM 1125 O LEU B 8 9.952 22.609 15.506 1.00 0.79 O ATOM 1126 CB LEU B 8 7.257 22.222 14.499 1.00 0.78 C ATOM 1127 CG LEU B 8 7.567 22.826 13.115 1.00 0.76 C ATOM 1128 CD1 LEU B 8 6.313 23.514 12.583 1.00 0.77 C ATOM 1129 CD2 LEU B 8 8.664 23.894 13.147 1.00 0.77 C ATOM 0 HA LEU B 8 8.143 20.302 14.150 1.00 0.77 H new ATOM 0 HB2 LEU B 8 6.223 21.877 14.501 1.00 0.78 H new ATOM 0 HB3 LEU B 8 7.330 23.014 15.245 1.00 0.78 H new ATOM 0 HG LEU B 8 7.903 21.998 12.491 1.00 0.76 H new ATOM 0 HD11 LEU B 8 6.522 23.945 11.604 1.00 0.77 H new ATOM 0 HD12 LEU B 8 5.508 22.785 12.494 1.00 0.77 H new ATOM 0 HD13 LEU B 8 6.012 24.305 13.270 1.00 0.77 H new ATOM 0 HD21 LEU B 8 8.830 24.275 12.139 1.00 0.77 H new ATOM 0 HD22 LEU B 8 8.357 24.712 13.798 1.00 0.77 H new ATOM 0 HD23 LEU B 8 9.587 23.456 13.526 1.00 0.77 H new ATOM 1141 N ARG B 9 10.487 20.480 15.059 1.00 0.75 N ATOM 1142 CA ARG B 9 11.938 20.689 15.214 1.00 0.75 C ATOM 1143 C ARG B 9 12.724 19.980 14.110 1.00 0.72 C ATOM 1144 O ARG B 9 13.344 20.622 13.269 1.00 0.71 O ATOM 1145 CB ARG B 9 12.421 20.325 16.630 1.00 0.79 C ATOM 1146 CG ARG B 9 12.123 18.882 17.047 1.00 0.79 C ATOM 1147 CD ARG B 9 12.806 18.522 18.363 1.00 0.82 C ATOM 1148 NE ARG B 9 12.558 17.099 18.665 1.00 0.82 N ATOM 1149 CZ ARG B 9 11.425 16.562 19.121 1.00 0.83 C ATOM 1150 NH1 ARG B 9 10.344 17.299 19.350 1.00 0.85 N ATOM 1151 NH2 ARG B 9 11.373 15.265 19.398 1.00 0.84 N ATOM 0 H ARG B 9 10.214 19.509 14.905 1.00 0.75 H new ATOM 0 HA ARG B 9 12.136 21.754 15.097 1.00 0.75 H new ATOM 0 HB2 ARG B 9 13.496 20.493 16.689 1.00 0.79 H new ATOM 0 HB3 ARG B 9 11.953 21.001 17.346 1.00 0.79 H new ATOM 0 HG2 ARG B 9 11.046 18.747 17.147 1.00 0.79 H new ATOM 0 HG3 ARG B 9 12.458 18.201 16.265 1.00 0.79 H new ATOM 0 HD2 ARG B 9 13.877 18.710 18.294 1.00 0.82 H new ATOM 0 HD3 ARG B 9 12.424 19.149 19.168 1.00 0.82 H new ATOM 0 HE ARG B 9 13.336 16.458 18.508 1.00 0.82 H new ATOM 0 HH11 ARG B 9 10.366 18.304 19.177 1.00 0.85 H new ATOM 0 HH12 ARG B 9 9.492 16.860 19.699 1.00 0.85 H new ATOM 0 HH21 ARG B 9 12.198 14.681 19.262 1.00 0.84 H new ATOM 0 HH22 ARG B 9 10.508 14.852 19.747 1.00 0.84 H new ATOM 1165 N GLU B 10 12.642 18.647 14.112 1.00 0.71 N ATOM 1166 CA GLU B 10 13.427 17.778 13.224 1.00 0.68 C ATOM 1167 C GLU B 10 12.682 16.468 12.967 1.00 0.66 C ATOM 1168 O GLU B 10 12.341 15.736 13.899 1.00 0.68 O ATOM 1169 CB GLU B 10 14.778 17.451 13.867 1.00 0.70 C ATOM 1170 CG GLU B 10 15.672 18.687 14.028 1.00 0.72 C ATOM 1171 CD GLU B 10 17.051 18.373 14.610 1.00 0.75 C ATOM 1172 OE1 GLU B 10 17.522 17.232 14.405 1.00 0.74 O ATOM 1173 OE2 GLU B 10 17.613 19.295 15.236 1.00 0.77 O ATOM 0 H GLU B 10 12.022 18.132 14.737 1.00 0.71 H new ATOM 0 HA GLU B 10 13.580 18.305 12.282 1.00 0.68 H new ATOM 0 HB2 GLU B 10 14.610 16.999 14.845 1.00 0.70 H new ATOM 0 HB3 GLU B 10 15.296 16.710 13.258 1.00 0.70 H new ATOM 0 HG2 GLU B 10 15.797 19.164 13.056 1.00 0.72 H new ATOM 0 HG3 GLU B 10 15.170 19.407 14.674 1.00 0.72 H new ATOM 1180 N LEU B 11 12.317 16.299 11.709 1.00 0.63 N ATOM 1181 CA LEU B 11 11.609 15.095 11.239 1.00 0.61 C ATOM 1182 C LEU B 11 12.354 14.471 10.060 1.00 0.58 C ATOM 1183 O LEU B 11 12.856 15.172 9.179 1.00 0.57 O ATOM 1184 CB LEU B 11 10.186 15.473 10.825 1.00 0.60 C ATOM 1185 CG LEU B 11 9.377 15.990 12.013 1.00 0.64 C ATOM 1186 CD1 LEU B 11 8.801 17.369 11.691 1.00 0.65 C ATOM 1187 CD2 LEU B 11 8.272 14.999 12.376 1.00 0.64 C ATOM 0 H LEU B 11 12.497 16.985 10.976 1.00 0.63 H new ATOM 0 HA LEU B 11 11.567 14.364 12.046 1.00 0.61 H new ATOM 0 HB2 LEU B 11 10.223 16.237 10.048 1.00 0.60 H new ATOM 0 HB3 LEU B 11 9.688 14.604 10.395 1.00 0.60 H new ATOM 0 HG LEU B 11 10.034 16.088 12.878 1.00 0.64 H new ATOM 0 HD11 LEU B 11 8.225 17.731 12.543 1.00 0.65 H new ATOM 0 HD12 LEU B 11 9.615 18.063 11.482 1.00 0.65 H new ATOM 0 HD13 LEU B 11 8.152 17.297 10.819 1.00 0.65 H new ATOM 0 HD21 LEU B 11 7.704 15.382 13.224 1.00 0.64 H new ATOM 0 HD22 LEU B 11 7.606 14.868 11.523 1.00 0.64 H new ATOM 0 HD23 LEU B 11 8.716 14.039 12.640 1.00 0.64 H new ATOM 1199 N ARG B 12 12.386 13.151 10.085 1.00 0.57 N ATOM 1200 CA ARG B 12 13.126 12.356 9.085 1.00 0.55 C ATOM 1201 C ARG B 12 12.118 11.714 8.138 1.00 0.52 C ATOM 1202 O ARG B 12 11.014 11.349 8.551 1.00 0.52 O ATOM 1203 CB ARG B 12 13.931 11.251 9.794 1.00 0.57 C ATOM 1204 CG ARG B 12 14.691 11.706 11.050 1.00 0.60 C ATOM 1205 CD ARG B 12 15.535 12.950 10.767 1.00 0.61 C ATOM 1206 NE ARG B 12 16.368 13.306 11.915 1.00 0.65 N ATOM 1207 CZ ARG B 12 17.679 13.127 11.893 1.00 0.67 C ATOM 1208 NH1 ARG B 12 18.199 11.935 12.150 1.00 0.68 N ATOM 1209 NH2 ARG B 12 18.475 14.165 11.705 1.00 0.68 N ATOM 0 H ARG B 12 11.907 12.590 10.789 1.00 0.57 H new ATOM 0 HA ARG B 12 13.811 12.999 8.532 1.00 0.55 H new ATOM 0 HB2 ARG B 12 13.249 10.447 10.071 1.00 0.57 H new ATOM 0 HB3 ARG B 12 14.647 10.833 9.086 1.00 0.57 H new ATOM 0 HG2 ARG B 12 13.982 11.919 11.850 1.00 0.60 H new ATOM 0 HG3 ARG B 12 15.334 10.899 11.401 1.00 0.60 H new ATOM 0 HD2 ARG B 12 16.168 12.771 9.898 1.00 0.61 H new ATOM 0 HD3 ARG B 12 14.881 13.786 10.518 1.00 0.61 H new ATOM 0 HE ARG B 12 15.930 13.700 12.748 1.00 0.65 H new ATOM 0 HH11 ARG B 12 17.588 11.148 12.367 1.00 0.68 H new ATOM 0 HH12 ARG B 12 19.211 11.805 12.131 1.00 0.68 H new ATOM 0 HH21 ARG B 12 18.078 15.096 11.578 1.00 0.68 H new ATOM 0 HH22 ARG B 12 19.487 14.035 11.687 1.00 0.68 H new ATOM 1223 N CYS B 13 12.511 11.571 6.874 1.00 0.50 N ATOM 1224 CA CYS B 13 11.701 10.831 5.890 1.00 0.48 C ATOM 1225 C CYS B 13 11.404 9.418 6.415 1.00 0.48 C ATOM 1226 O CYS B 13 12.180 8.855 7.186 1.00 0.49 O ATOM 1227 CB CYS B 13 12.469 10.739 4.572 1.00 0.47 C ATOM 1228 SG CYS B 13 12.484 12.286 3.594 1.00 0.48 S ATOM 0 H CYS B 13 13.380 11.953 6.502 1.00 0.50 H new ATOM 0 HA CYS B 13 10.759 11.355 5.729 1.00 0.48 H new ATOM 0 HB2 CYS B 13 13.498 10.448 4.785 1.00 0.47 H new ATOM 0 HB3 CYS B 13 12.032 9.945 3.966 1.00 0.47 H new ATOM 1233 N VAL B 14 10.267 8.868 5.990 1.00 0.46 N ATOM 1234 CA VAL B 14 9.878 7.489 6.378 1.00 0.46 C ATOM 1235 C VAL B 14 10.924 6.452 5.910 1.00 0.46 C ATOM 1236 O VAL B 14 11.130 5.415 6.532 1.00 0.47 O ATOM 1237 CB VAL B 14 8.434 7.158 5.926 1.00 0.45 C ATOM 1238 CG1 VAL B 14 8.218 7.110 4.412 1.00 0.43 C ATOM 1239 CG2 VAL B 14 7.935 5.845 6.534 1.00 0.46 C ATOM 0 H VAL B 14 9.597 9.340 5.383 1.00 0.46 H new ATOM 0 HA VAL B 14 9.870 7.433 7.467 1.00 0.46 H new ATOM 0 HB VAL B 14 7.854 8.001 6.301 1.00 0.45 H new ATOM 0 HG11 VAL B 14 7.176 6.871 4.201 1.00 0.43 H new ATOM 0 HG12 VAL B 14 8.463 8.080 3.979 1.00 0.43 H new ATOM 0 HG13 VAL B 14 8.861 6.345 3.977 1.00 0.43 H new ATOM 0 HG21 VAL B 14 6.919 5.649 6.192 1.00 0.46 H new ATOM 0 HG22 VAL B 14 8.587 5.029 6.222 1.00 0.46 H new ATOM 0 HG23 VAL B 14 7.944 5.921 7.621 1.00 0.46 H new ATOM 1249 N CYS B 15 11.559 6.777 4.786 1.00 0.45 N ATOM 1250 CA CYS B 15 12.609 5.967 4.154 1.00 0.45 C ATOM 1251 C CYS B 15 13.928 6.730 4.074 1.00 0.47 C ATOM 1252 O CYS B 15 14.061 7.680 3.303 1.00 0.47 O ATOM 1253 CB CYS B 15 12.197 5.602 2.732 1.00 0.43 C ATOM 1254 SG CYS B 15 10.898 4.334 2.679 1.00 0.42 S ATOM 0 H CYS B 15 11.355 7.634 4.272 1.00 0.45 H new ATOM 0 HA CYS B 15 12.742 5.074 4.764 1.00 0.45 H new ATOM 0 HB2 CYS B 15 11.845 6.497 2.219 1.00 0.43 H new ATOM 0 HB3 CYS B 15 13.070 5.244 2.186 1.00 0.43 H new ATOM 1259 N LEU B 16 14.840 6.352 4.961 1.00 0.49 N ATOM 1260 CA LEU B 16 16.205 6.913 4.951 1.00 0.52 C ATOM 1261 C LEU B 16 17.144 6.238 3.941 1.00 0.54 C ATOM 1262 O LEU B 16 18.006 6.887 3.340 1.00 0.55 O ATOM 1263 CB LEU B 16 16.807 6.888 6.360 1.00 0.55 C ATOM 1264 CG LEU B 16 16.064 7.808 7.338 1.00 0.55 C ATOM 1265 CD1 LEU B 16 16.674 7.672 8.733 1.00 0.58 C ATOM 1266 CD2 LEU B 16 16.106 9.278 6.895 1.00 0.54 C ATOM 0 H LEU B 16 14.671 5.665 5.696 1.00 0.49 H new ATOM 0 HA LEU B 16 16.107 7.947 4.619 1.00 0.52 H new ATOM 0 HB2 LEU B 16 16.787 5.867 6.741 1.00 0.55 H new ATOM 0 HB3 LEU B 16 17.854 7.188 6.309 1.00 0.55 H new ATOM 0 HG LEU B 16 15.019 7.500 7.353 1.00 0.55 H new ATOM 0 HD11 LEU B 16 16.145 8.326 9.427 1.00 0.58 H new ATOM 0 HD12 LEU B 16 16.586 6.639 9.070 1.00 0.58 H new ATOM 0 HD13 LEU B 16 17.726 7.954 8.699 1.00 0.58 H new ATOM 0 HD21 LEU B 16 15.567 9.891 7.617 1.00 0.54 H new ATOM 0 HD22 LEU B 16 17.142 9.611 6.837 1.00 0.54 H new ATOM 0 HD23 LEU B 16 15.638 9.376 5.915 1.00 0.54 H new ATOM 1278 N GLN B 17 16.939 4.953 3.742 1.00 0.53 N ATOM 1279 CA GLN B 17 17.730 4.107 2.841 1.00 0.55 C ATOM 1280 C GLN B 17 16.872 3.671 1.640 1.00 0.53 C ATOM 1281 O GLN B 17 15.691 3.997 1.533 1.00 0.50 O ATOM 1282 CB GLN B 17 18.300 2.894 3.603 1.00 0.58 C ATOM 1283 CG GLN B 17 17.276 1.836 4.049 1.00 0.56 C ATOM 1284 CD GLN B 17 16.331 2.273 5.180 1.00 0.55 C ATOM 1285 OE1 GLN B 17 16.411 3.316 5.807 1.00 0.55 O ATOM 1286 NE2 GLN B 17 15.386 1.424 5.490 1.00 0.54 N ATOM 0 H GLN B 17 16.194 4.441 4.214 1.00 0.53 H new ATOM 0 HA GLN B 17 18.575 4.681 2.460 1.00 0.55 H new ATOM 0 HB2 GLN B 17 19.042 2.408 2.970 1.00 0.58 H new ATOM 0 HB3 GLN B 17 18.824 3.259 4.486 1.00 0.58 H new ATOM 0 HG2 GLN B 17 16.675 1.549 3.186 1.00 0.56 H new ATOM 0 HG3 GLN B 17 17.815 0.946 4.372 1.00 0.56 H new ATOM 0 HE21 GLN B 17 15.301 0.546 4.978 1.00 0.54 H new ATOM 0 HE22 GLN B 17 14.733 1.640 6.244 1.00 0.54 H new ATOM 1295 N THR B 18 17.506 2.882 0.790 1.00 0.55 N ATOM 1296 CA THR B 18 16.875 2.319 -0.414 1.00 0.54 C ATOM 1297 C THR B 18 17.075 0.795 -0.492 1.00 0.55 C ATOM 1298 O THR B 18 17.642 0.171 0.410 1.00 0.57 O ATOM 1299 CB THR B 18 17.430 3.071 -1.635 1.00 0.56 C ATOM 1300 OG1 THR B 18 16.718 2.643 -2.793 1.00 0.55 O ATOM 1301 CG2 THR B 18 18.941 2.892 -1.843 1.00 0.60 C ATOM 0 H THR B 18 18.481 2.606 0.908 1.00 0.55 H new ATOM 0 HA THR B 18 15.794 2.458 -0.383 1.00 0.54 H new ATOM 0 HB THR B 18 17.285 4.136 -1.454 1.00 0.56 H new ATOM 0 HG1 THR B 18 17.355 2.398 -3.496 1.00 0.55 H new ATOM 0 HG21 THR B 18 19.256 3.452 -2.723 1.00 0.60 H new ATOM 0 HG22 THR B 18 19.475 3.261 -0.967 1.00 0.60 H new ATOM 0 HG23 THR B 18 19.166 1.835 -1.986 1.00 0.60 H new ATOM 1309 N THR B 19 16.693 0.219 -1.627 1.00 0.55 N ATOM 1310 CA THR B 19 16.785 -1.216 -1.939 1.00 0.57 C ATOM 1311 C THR B 19 16.781 -1.429 -3.463 1.00 0.58 C ATOM 1312 O THR B 19 16.232 -0.633 -4.233 1.00 0.57 O ATOM 1313 CB THR B 19 15.616 -1.973 -1.272 1.00 0.54 C ATOM 1314 OG1 THR B 19 15.648 -1.762 0.143 1.00 0.54 O ATOM 1315 CG2 THR B 19 15.636 -3.484 -1.516 1.00 0.56 C ATOM 0 H THR B 19 16.292 0.758 -2.394 1.00 0.55 H new ATOM 0 HA THR B 19 17.721 -1.611 -1.545 1.00 0.57 H new ATOM 0 HB THR B 19 14.710 -1.573 -1.727 1.00 0.54 H new ATOM 0 HG1 THR B 19 15.111 -0.974 0.368 1.00 0.54 H new ATOM 0 HG21 THR B 19 14.784 -3.945 -1.016 1.00 0.56 H new ATOM 0 HG22 THR B 19 15.578 -3.680 -2.587 1.00 0.56 H new ATOM 0 HG23 THR B 19 16.560 -3.904 -1.119 1.00 0.56 H new ATOM 1323 N GLN B 20 17.415 -2.526 -3.848 1.00 0.61 N ATOM 1324 CA GLN B 20 17.519 -3.010 -5.227 1.00 0.64 C ATOM 1325 C GLN B 20 17.094 -4.475 -5.360 1.00 0.64 C ATOM 1326 O GLN B 20 17.887 -5.404 -5.513 1.00 0.68 O ATOM 1327 CB GLN B 20 18.925 -2.748 -5.808 1.00 0.68 C ATOM 1328 CG GLN B 20 20.104 -3.488 -5.165 1.00 0.72 C ATOM 1329 CD GLN B 20 20.401 -3.120 -3.708 1.00 0.70 C ATOM 1330 OE1 GLN B 20 19.973 -2.139 -3.120 1.00 0.68 O ATOM 1331 NE2 GLN B 20 21.228 -3.921 -3.089 1.00 0.73 N ATOM 0 H GLN B 20 17.894 -3.134 -3.183 1.00 0.61 H new ATOM 0 HA GLN B 20 16.813 -2.436 -5.827 1.00 0.64 H new ATOM 0 HB2 GLN B 20 18.905 -3.004 -6.867 1.00 0.68 H new ATOM 0 HB3 GLN B 20 19.123 -1.678 -5.742 1.00 0.68 H new ATOM 0 HG2 GLN B 20 19.910 -4.559 -5.218 1.00 0.72 H new ATOM 0 HG3 GLN B 20 20.998 -3.296 -5.759 1.00 0.72 H new ATOM 0 HE21 GLN B 20 21.594 -4.744 -3.567 1.00 0.73 H new ATOM 0 HE22 GLN B 20 21.507 -3.723 -2.128 1.00 0.73 H new ATOM 1340 N GLY B 21 15.777 -4.654 -5.238 1.00 0.61 N ATOM 1341 CA GLY B 21 15.203 -5.977 -5.460 1.00 0.61 C ATOM 1342 C GLY B 21 14.952 -6.224 -6.963 1.00 0.63 C ATOM 1343 O GLY B 21 15.127 -5.302 -7.752 1.00 0.64 O ATOM 0 H GLY B 21 15.108 -3.923 -4.994 1.00 0.61 H new ATOM 0 HA2 GLY B 21 15.876 -6.740 -5.070 1.00 0.61 H new ATOM 0 HA3 GLY B 21 14.266 -6.068 -4.911 1.00 0.61 H new ATOM 1347 N VAL B 22 14.385 -7.337 -7.412 1.00 0.64 N ATOM 1348 CA VAL B 22 13.712 -8.526 -6.804 1.00 0.63 C ATOM 1349 C VAL B 22 12.480 -8.825 -7.684 1.00 0.62 C ATOM 1350 O VAL B 22 12.268 -8.178 -8.706 1.00 0.63 O ATOM 1351 CB VAL B 22 13.322 -8.406 -5.301 1.00 0.60 C ATOM 1352 CG1 VAL B 22 12.156 -7.446 -5.006 1.00 0.56 C ATOM 1353 CG2 VAL B 22 13.160 -9.765 -4.611 1.00 0.61 C ATOM 0 H VAL B 22 14.379 -7.466 -8.424 1.00 0.64 H new ATOM 0 HA VAL B 22 14.433 -9.343 -6.790 1.00 0.63 H new ATOM 0 HB VAL B 22 14.188 -7.926 -4.845 1.00 0.60 H new ATOM 0 HG11 VAL B 22 11.960 -7.431 -3.934 1.00 0.56 H new ATOM 0 HG12 VAL B 22 12.417 -6.442 -5.341 1.00 0.56 H new ATOM 0 HG13 VAL B 22 11.264 -7.784 -5.533 1.00 0.56 H new ATOM 0 HG21 VAL B 22 12.888 -9.613 -3.566 1.00 0.61 H new ATOM 0 HG22 VAL B 22 12.377 -10.335 -5.110 1.00 0.61 H new ATOM 0 HG23 VAL B 22 14.100 -10.315 -4.665 1.00 0.61 H new ATOM 1363 N HIS B 23 11.632 -9.751 -7.251 1.00 0.61 N ATOM 1364 CA HIS B 23 10.375 -10.045 -7.943 1.00 0.61 C ATOM 1365 C HIS B 23 9.179 -9.738 -7.018 1.00 0.57 C ATOM 1366 O HIS B 23 9.245 -10.033 -5.817 1.00 0.56 O ATOM 1367 CB HIS B 23 10.391 -11.508 -8.401 1.00 0.64 C ATOM 1368 CG HIS B 23 9.247 -11.811 -9.374 1.00 0.64 C ATOM 1369 ND1 HIS B 23 7.981 -12.017 -9.025 1.00 0.63 N ATOM 1370 CD2 HIS B 23 9.330 -11.951 -10.694 1.00 0.67 C ATOM 1371 CE1 HIS B 23 7.280 -12.299 -10.120 1.00 0.65 C ATOM 1372 NE2 HIS B 23 8.117 -12.260 -11.152 1.00 0.68 N ATOM 0 H HIS B 23 11.791 -10.317 -6.417 1.00 0.61 H new ATOM 0 HA HIS B 23 10.268 -9.413 -8.825 1.00 0.61 H new ATOM 0 HB2 HIS B 23 11.345 -11.728 -8.881 1.00 0.64 H new ATOM 0 HB3 HIS B 23 10.313 -12.162 -7.532 1.00 0.64 H new ATOM 0 HD2 HIS B 23 10.223 -11.835 -11.290 1.00 0.67 H new ATOM 0 HE1 HIS B 23 6.224 -12.519 -10.163 1.00 0.65 H new ATOM 0 HE2 HIS B 23 7.873 -12.436 -12.127 1.00 0.68 H new ATOM 1380 N PRO B 24 8.084 -9.222 -7.603 1.00 0.57 N ATOM 1381 CA PRO B 24 6.798 -8.976 -6.915 1.00 0.55 C ATOM 1382 C PRO B 24 6.290 -10.199 -6.155 1.00 0.55 C ATOM 1383 O PRO B 24 5.493 -10.046 -5.240 1.00 0.53 O ATOM 1384 CB PRO B 24 5.788 -8.730 -8.028 1.00 0.56 C ATOM 1385 CG PRO B 24 6.625 -8.117 -9.139 1.00 0.58 C ATOM 1386 CD PRO B 24 7.975 -8.808 -9.018 1.00 0.59 C ATOM 0 HA PRO B 24 6.926 -8.158 -6.206 1.00 0.55 H new ATOM 0 HB2 PRO B 24 5.311 -9.656 -8.349 1.00 0.56 H new ATOM 0 HB3 PRO B 24 4.993 -8.057 -7.707 1.00 0.56 H new ATOM 0 HG2 PRO B 24 6.176 -8.290 -10.117 1.00 0.58 H new ATOM 0 HG3 PRO B 24 6.718 -7.038 -9.017 1.00 0.58 H new ATOM 0 HD2 PRO B 24 8.036 -9.669 -9.684 1.00 0.59 H new ATOM 0 HD3 PRO B 24 8.786 -8.134 -9.293 1.00 0.59 H new ATOM 1394 N LYS B 25 6.754 -11.388 -6.539 1.00 0.57 N ATOM 1395 CA LYS B 25 6.382 -12.668 -5.920 1.00 0.58 C ATOM 1396 C LYS B 25 6.557 -12.659 -4.390 1.00 0.56 C ATOM 1397 O LYS B 25 5.809 -13.313 -3.674 1.00 0.57 O ATOM 1398 CB LYS B 25 7.247 -13.770 -6.526 1.00 0.61 C ATOM 1399 CG LYS B 25 6.423 -15.044 -6.708 1.00 0.62 C ATOM 1400 CD LYS B 25 7.225 -16.185 -7.338 1.00 0.66 C ATOM 1401 CE LYS B 25 8.276 -16.744 -6.379 1.00 0.67 C ATOM 1402 NZ LYS B 25 8.171 -18.205 -6.321 1.00 0.69 N ATOM 0 H LYS B 25 7.416 -11.495 -7.308 1.00 0.57 H new ATOM 0 HA LYS B 25 5.325 -12.843 -6.119 1.00 0.58 H new ATOM 0 HB2 LYS B 25 7.644 -13.444 -7.487 1.00 0.61 H new ATOM 0 HB3 LYS B 25 8.101 -13.969 -5.879 1.00 0.61 H new ATOM 0 HG2 LYS B 25 6.042 -15.366 -5.739 1.00 0.62 H new ATOM 0 HG3 LYS B 25 5.558 -14.825 -7.334 1.00 0.62 H new ATOM 0 HD2 LYS B 25 6.546 -16.983 -7.637 1.00 0.66 H new ATOM 0 HD3 LYS B 25 7.715 -15.827 -8.244 1.00 0.66 H new ATOM 0 HE2 LYS B 25 9.273 -16.455 -6.710 1.00 0.67 H new ATOM 0 HE3 LYS B 25 8.135 -16.321 -5.384 1.00 0.67 H new ATOM 0 HZ1 LYS B 25 8.888 -18.579 -5.667 1.00 0.69 H new ATOM 0 HZ2 LYS B 25 7.224 -18.472 -5.985 1.00 0.69 H new ATOM 0 HZ3 LYS B 25 8.327 -18.602 -7.270 1.00 0.69 H new ATOM 1416 N MET B 26 7.506 -11.844 -3.925 1.00 0.55 N ATOM 1417 CA MET B 26 7.757 -11.634 -2.486 1.00 0.55 C ATOM 1418 C MET B 26 6.908 -10.508 -1.873 1.00 0.52 C ATOM 1419 O MET B 26 6.751 -10.422 -0.652 1.00 0.52 O ATOM 1420 CB MET B 26 9.250 -11.381 -2.253 1.00 0.57 C ATOM 1421 CG MET B 26 10.107 -12.621 -2.548 1.00 0.64 C ATOM 1422 SD MET B 26 9.850 -14.013 -1.383 1.00 0.75 S ATOM 1423 CE MET B 26 8.906 -15.152 -2.373 1.00 0.95 C ATOM 0 H MET B 26 8.126 -11.307 -4.531 1.00 0.55 H new ATOM 0 HA MET B 26 7.452 -12.546 -1.973 1.00 0.55 H new ATOM 0 HB2 MET B 26 9.579 -10.556 -2.885 1.00 0.57 H new ATOM 0 HB3 MET B 26 9.406 -11.072 -1.219 1.00 0.57 H new ATOM 0 HG2 MET B 26 9.891 -12.965 -3.559 1.00 0.64 H new ATOM 0 HG3 MET B 26 11.158 -12.335 -2.527 1.00 0.64 H new ATOM 0 HE1 MET B 26 8.545 -15.967 -1.746 1.00 0.95 H new ATOM 0 HE2 MET B 26 8.057 -14.632 -2.816 1.00 0.95 H new ATOM 0 HE3 MET B 26 9.537 -15.556 -3.165 1.00 0.95 H new ATOM 1433 N ILE B 27 6.366 -9.636 -2.714 1.00 0.50 N ATOM 1434 CA ILE B 27 5.556 -8.513 -2.236 1.00 0.48 C ATOM 1435 C ILE B 27 4.057 -8.809 -2.342 1.00 0.49 C ATOM 1436 O ILE B 27 3.596 -9.378 -3.331 1.00 0.56 O ATOM 1437 CB ILE B 27 5.875 -7.224 -3.028 1.00 0.52 C ATOM 1438 CG1 ILE B 27 7.393 -6.999 -3.112 1.00 0.56 C ATOM 1439 CG2 ILE B 27 5.191 -6.019 -2.394 1.00 0.53 C ATOM 1440 CD1 ILE B 27 8.070 -6.864 -1.762 1.00 0.58 C ATOM 0 H ILE B 27 6.470 -9.681 -3.728 1.00 0.50 H new ATOM 0 HA ILE B 27 5.810 -8.367 -1.186 1.00 0.48 H new ATOM 0 HB ILE B 27 5.490 -7.344 -4.041 1.00 0.52 H new ATOM 0 HG12 ILE B 27 7.844 -7.831 -3.652 1.00 0.56 H new ATOM 0 HG13 ILE B 27 7.585 -6.099 -3.695 1.00 0.56 H new ATOM 0 HG21 ILE B 27 5.429 -5.123 -2.967 1.00 0.53 H new ATOM 0 HG22 ILE B 27 4.112 -6.173 -2.392 1.00 0.53 H new ATOM 0 HG23 ILE B 27 5.543 -5.899 -1.369 1.00 0.53 H new ATOM 0 HD11 ILE B 27 9.139 -6.708 -1.905 1.00 0.58 H new ATOM 0 HD12 ILE B 27 7.647 -6.014 -1.226 1.00 0.58 H new ATOM 0 HD13 ILE B 27 7.911 -7.773 -1.183 1.00 0.58 H new ATOM 1452 N SER B 28 3.299 -8.420 -1.313 1.00 0.47 N ATOM 1453 CA SER B 28 1.856 -8.641 -1.296 1.00 0.54 C ATOM 1454 C SER B 28 1.112 -7.414 -0.758 1.00 0.55 C ATOM 1455 O SER B 28 -0.091 -7.471 -0.503 1.00 0.70 O ATOM 1456 CB SER B 28 1.519 -9.872 -0.449 1.00 0.61 C ATOM 1457 OG SER B 28 2.057 -11.052 -1.024 1.00 0.68 O ATOM 0 H SER B 28 3.663 -7.951 -0.483 1.00 0.47 H new ATOM 0 HA SER B 28 1.531 -8.812 -2.322 1.00 0.54 H new ATOM 0 HB2 SER B 28 1.914 -9.743 0.559 1.00 0.61 H new ATOM 0 HB3 SER B 28 0.437 -9.969 -0.358 1.00 0.61 H new ATOM 0 HG SER B 28 1.829 -11.823 -0.463 1.00 0.68 H new ATOM 1463 N ASN B 29 1.832 -6.307 -0.597 1.00 0.49 N ATOM 1464 CA ASN B 29 1.239 -5.068 -0.092 1.00 0.50 C ATOM 1465 C ASN B 29 1.947 -3.849 -0.687 1.00 0.49 C ATOM 1466 O ASN B 29 3.163 -3.702 -0.558 1.00 0.49 O ATOM 1467 CB ASN B 29 1.320 -5.034 1.440 1.00 0.54 C ATOM 1468 CG ASN B 29 0.679 -3.794 2.037 1.00 0.58 C ATOM 1469 OD1 ASN B 29 -0.536 -3.733 2.218 1.00 0.67 O ATOM 1470 ND2 ASN B 29 1.499 -2.803 2.363 1.00 0.83 N ATOM 0 H ASN B 29 2.828 -6.241 -0.809 1.00 0.49 H new ATOM 0 HA ASN B 29 0.192 -5.036 -0.393 1.00 0.50 H new ATOM 0 HB2 ASN B 29 0.831 -5.920 1.845 1.00 0.54 H new ATOM 0 HB3 ASN B 29 2.366 -5.079 1.745 1.00 0.54 H new ATOM 0 HD21 ASN B 29 1.127 -1.950 2.781 1.00 0.83 H new ATOM 0 HD22 ASN B 29 2.501 -2.894 2.196 1.00 0.83 H new ATOM 1477 N LEU B 30 1.177 -2.982 -1.341 1.00 0.53 N ATOM 1478 CA LEU B 30 1.726 -1.775 -1.956 1.00 0.55 C ATOM 1479 C LEU B 30 1.344 -0.535 -1.152 1.00 0.56 C ATOM 1480 O LEU B 30 0.212 -0.406 -0.698 1.00 0.75 O ATOM 1481 CB LEU B 30 1.228 -1.639 -3.399 1.00 0.60 C ATOM 1482 CG LEU B 30 1.623 -0.339 -4.109 1.00 0.69 C ATOM 1483 CD1 LEU B 30 3.113 -0.318 -4.410 1.00 0.74 C ATOM 1484 CD2 LEU B 30 0.820 -0.163 -5.389 1.00 0.75 C ATOM 0 H LEU B 30 0.170 -3.093 -1.459 1.00 0.53 H new ATOM 0 HA LEU B 30 2.813 -1.861 -1.963 1.00 0.55 H new ATOM 0 HB2 LEU B 30 1.609 -2.480 -3.978 1.00 0.60 H new ATOM 0 HB3 LEU B 30 0.141 -1.718 -3.400 1.00 0.60 H new ATOM 0 HG LEU B 30 1.398 0.493 -3.442 1.00 0.69 H new ATOM 0 HD11 LEU B 30 3.369 0.614 -4.914 1.00 0.74 H new ATOM 0 HD12 LEU B 30 3.674 -0.393 -3.478 1.00 0.74 H new ATOM 0 HD13 LEU B 30 3.366 -1.160 -5.054 1.00 0.74 H new ATOM 0 HD21 LEU B 30 1.115 0.765 -5.879 1.00 0.75 H new ATOM 0 HD22 LEU B 30 1.012 -1.002 -6.057 1.00 0.75 H new ATOM 0 HD23 LEU B 30 -0.243 -0.125 -5.150 1.00 0.75 H new ATOM 1496 N GLN B 31 2.297 0.372 -0.972 1.00 0.50 N ATOM 1497 CA GLN B 31 2.046 1.600 -0.225 1.00 0.50 C ATOM 1498 C GLN B 31 2.606 2.814 -0.964 1.00 0.51 C ATOM 1499 O GLN B 31 3.821 2.986 -1.072 1.00 0.60 O ATOM 1500 CB GLN B 31 2.656 1.503 1.174 1.00 0.53 C ATOM 1501 CG GLN B 31 1.856 0.632 2.131 1.00 0.57 C ATOM 1502 CD GLN B 31 2.564 0.401 3.450 1.00 0.75 C ATOM 1503 OE1 GLN B 31 3.305 -0.570 3.609 1.00 1.08 O ATOM 1504 NE2 GLN B 31 2.340 1.291 4.410 1.00 1.01 N ATOM 0 H GLN B 31 3.247 0.282 -1.331 1.00 0.50 H new ATOM 0 HA GLN B 31 0.967 1.727 -0.132 1.00 0.50 H new ATOM 0 HB2 GLN B 31 3.667 1.104 1.093 1.00 0.53 H new ATOM 0 HB3 GLN B 31 2.741 2.505 1.594 1.00 0.53 H new ATOM 0 HG2 GLN B 31 0.890 1.101 2.320 1.00 0.57 H new ATOM 0 HG3 GLN B 31 1.656 -0.330 1.658 1.00 0.57 H new ATOM 0 HE21 GLN B 31 1.719 2.082 4.238 1.00 1.01 H new ATOM 0 HE22 GLN B 31 2.789 1.184 5.320 1.00 1.01 H new ATOM 1513 N VAL B 32 1.706 3.655 -1.475 1.00 0.49 N ATOM 1514 CA VAL B 32 2.095 4.854 -2.208 1.00 0.51 C ATOM 1515 C VAL B 32 2.026 6.088 -1.311 1.00 0.49 C ATOM 1516 O VAL B 32 0.951 6.642 -1.076 1.00 0.61 O ATOM 1517 CB VAL B 32 1.203 5.078 -3.448 1.00 0.56 C ATOM 1518 CG1 VAL B 32 1.792 6.154 -4.349 1.00 0.61 C ATOM 1519 CG2 VAL B 32 1.016 3.778 -4.217 1.00 0.59 C ATOM 0 H VAL B 32 0.698 3.524 -1.392 1.00 0.49 H new ATOM 0 HA VAL B 32 3.122 4.703 -2.539 1.00 0.51 H new ATOM 0 HB VAL B 32 0.225 5.417 -3.106 1.00 0.56 H new ATOM 0 HG11 VAL B 32 1.147 6.295 -5.216 1.00 0.61 H new ATOM 0 HG12 VAL B 32 1.867 7.090 -3.796 1.00 0.61 H new ATOM 0 HG13 VAL B 32 2.784 5.848 -4.681 1.00 0.61 H new ATOM 0 HG21 VAL B 32 0.384 3.958 -5.087 1.00 0.59 H new ATOM 0 HG22 VAL B 32 1.987 3.406 -4.544 1.00 0.59 H new ATOM 0 HG23 VAL B 32 0.543 3.038 -3.571 1.00 0.59 H new ATOM 1529 N PHE B 33 3.184 6.510 -0.816 1.00 0.48 N ATOM 1530 CA PHE B 33 3.277 7.674 0.058 1.00 0.48 C ATOM 1531 C PHE B 33 3.698 8.912 -0.729 1.00 0.50 C ATOM 1532 O PHE B 33 4.694 8.885 -1.452 1.00 0.56 O ATOM 1533 CB PHE B 33 4.292 7.416 1.176 1.00 0.53 C ATOM 1534 CG PHE B 33 3.756 6.604 2.321 1.00 0.57 C ATOM 1535 CD1 PHE B 33 3.821 5.219 2.305 1.00 0.65 C ATOM 1536 CD2 PHE B 33 3.190 7.230 3.420 1.00 0.70 C ATOM 1537 CE1 PHE B 33 3.334 4.476 3.363 1.00 0.78 C ATOM 1538 CE2 PHE B 33 2.701 6.492 4.480 1.00 0.85 C ATOM 1539 CZ PHE B 33 2.772 5.113 4.452 1.00 0.86 C ATOM 0 H PHE B 33 4.079 6.059 -1.007 1.00 0.48 H new ATOM 0 HA PHE B 33 2.292 7.849 0.492 1.00 0.48 H new ATOM 0 HB2 PHE B 33 5.156 6.903 0.755 1.00 0.53 H new ATOM 0 HB3 PHE B 33 4.645 8.374 1.559 1.00 0.53 H new ATOM 0 HD1 PHE B 33 4.258 4.715 1.455 1.00 0.65 H new ATOM 0 HD2 PHE B 33 3.131 8.308 3.448 1.00 0.70 H new ATOM 0 HE1 PHE B 33 3.393 3.398 3.339 1.00 0.78 H new ATOM 0 HE2 PHE B 33 2.263 6.993 5.331 1.00 0.85 H new ATOM 0 HZ PHE B 33 2.389 4.534 5.280 1.00 0.86 H new ATOM 1549 N ALA B 34 2.938 9.995 -0.588 1.00 0.50 N ATOM 1550 CA ALA B 34 3.257 11.238 -1.284 1.00 0.55 C ATOM 1551 C ALA B 34 4.084 12.173 -0.399 1.00 0.54 C ATOM 1552 O ALA B 34 4.656 11.748 0.606 1.00 0.58 O ATOM 1553 CB ALA B 34 1.984 11.933 -1.745 1.00 0.61 C ATOM 0 H ALA B 34 2.104 10.037 -0.003 1.00 0.50 H new ATOM 0 HA ALA B 34 3.856 10.986 -2.159 1.00 0.55 H new ATOM 0 HB1 ALA B 34 2.241 12.858 -2.262 1.00 0.61 H new ATOM 0 HB2 ALA B 34 1.437 11.278 -2.423 1.00 0.61 H new ATOM 0 HB3 ALA B 34 1.361 12.162 -0.880 1.00 0.61 H new ATOM 1559 N ILE B 35 4.148 13.446 -0.788 1.00 0.60 N ATOM 1560 CA ILE B 35 4.897 14.447 -0.035 1.00 0.63 C ATOM 1561 C ILE B 35 4.181 14.799 1.272 1.00 0.59 C ATOM 1562 O ILE B 35 3.009 15.175 1.266 1.00 0.63 O ATOM 1563 CB ILE B 35 5.104 15.726 -0.880 1.00 0.75 C ATOM 1564 CG1 ILE B 35 5.993 15.421 -2.090 1.00 0.90 C ATOM 1565 CG2 ILE B 35 5.705 16.846 -0.037 1.00 0.77 C ATOM 1566 CD1 ILE B 35 6.137 16.584 -3.048 1.00 1.10 C ATOM 0 H ILE B 35 3.688 13.808 -1.623 1.00 0.60 H new ATOM 0 HA ILE B 35 5.871 14.021 0.205 1.00 0.63 H new ATOM 0 HB ILE B 35 4.131 16.063 -1.238 1.00 0.75 H new ATOM 0 HG12 ILE B 35 6.982 15.127 -1.738 1.00 0.90 H new ATOM 0 HG13 ILE B 35 5.579 14.568 -2.628 1.00 0.90 H new ATOM 0 HG21 ILE B 35 5.840 17.734 -0.655 1.00 0.77 H new ATOM 0 HG22 ILE B 35 5.035 17.078 0.790 1.00 0.77 H new ATOM 0 HG23 ILE B 35 6.670 16.527 0.357 1.00 0.77 H new ATOM 0 HD11 ILE B 35 6.780 16.293 -3.879 1.00 1.10 H new ATOM 0 HD12 ILE B 35 5.155 16.865 -3.430 1.00 1.10 H new ATOM 0 HD13 ILE B 35 6.580 17.432 -2.526 1.00 1.10 H new ATOM 1578 N GLY B 36 4.896 14.667 2.390 1.00 0.58 N ATOM 1579 CA GLY B 36 4.316 14.967 3.686 1.00 0.59 C ATOM 1580 C GLY B 36 5.053 16.078 4.417 1.00 0.63 C ATOM 1581 O GLY B 36 5.898 16.754 3.829 1.00 0.63 O ATOM 0 H GLY B 36 5.867 14.357 2.418 1.00 0.58 H new ATOM 0 HA2 GLY B 36 3.273 15.254 3.555 1.00 0.59 H new ATOM 0 HA3 GLY B 36 4.324 14.066 4.300 1.00 0.59 H new ATOM 1585 N PRO B 37 4.745 16.287 5.712 1.00 0.67 N ATOM 1586 CA PRO B 37 5.380 17.327 6.536 1.00 0.73 C ATOM 1587 C PRO B 37 6.782 16.937 7.006 1.00 0.71 C ATOM 1588 O PRO B 37 7.511 17.761 7.558 1.00 0.77 O ATOM 1589 CB PRO B 37 4.436 17.455 7.746 1.00 0.79 C ATOM 1590 CG PRO B 37 3.259 16.581 7.452 1.00 0.77 C ATOM 1591 CD PRO B 37 3.740 15.546 6.480 1.00 0.69 C ATOM 0 HA PRO B 37 5.515 18.252 5.975 1.00 0.73 H new ATOM 0 HB2 PRO B 37 4.934 17.141 8.663 1.00 0.79 H new ATOM 0 HB3 PRO B 37 4.126 18.490 7.890 1.00 0.79 H new ATOM 0 HG2 PRO B 37 2.883 16.115 8.363 1.00 0.77 H new ATOM 0 HG3 PRO B 37 2.439 17.161 7.029 1.00 0.77 H new ATOM 0 HD2 PRO B 37 4.170 14.681 6.985 1.00 0.69 H new ATOM 0 HD3 PRO B 37 2.934 15.177 5.846 1.00 0.69 H new ATOM 1599 N GLN B 38 7.150 15.680 6.785 1.00 0.65 N ATOM 1600 CA GLN B 38 8.470 15.177 7.199 1.00 0.65 C ATOM 1601 C GLN B 38 9.402 14.883 6.013 1.00 0.61 C ATOM 1602 O GLN B 38 10.614 14.771 6.177 1.00 0.63 O ATOM 1603 CB GLN B 38 8.276 13.922 8.062 1.00 0.65 C ATOM 1604 CG GLN B 38 7.615 12.752 7.327 1.00 0.59 C ATOM 1605 CD GLN B 38 7.462 11.555 8.262 1.00 0.63 C ATOM 1606 OE1 GLN B 38 6.778 11.589 9.268 1.00 0.71 O ATOM 1607 NE2 GLN B 38 8.066 10.454 7.882 1.00 0.61 N ATOM 0 H GLN B 38 6.561 14.987 6.324 1.00 0.65 H new ATOM 0 HA GLN B 38 8.960 15.961 7.776 1.00 0.65 H new ATOM 0 HB2 GLN B 38 9.247 13.599 8.437 1.00 0.65 H new ATOM 0 HB3 GLN B 38 7.669 14.181 8.929 1.00 0.65 H new ATOM 0 HG2 GLN B 38 6.638 13.056 6.951 1.00 0.59 H new ATOM 0 HG3 GLN B 38 8.216 12.471 6.462 1.00 0.59 H new ATOM 0 HE21 GLN B 38 8.634 10.450 7.035 1.00 0.61 H new ATOM 0 HE22 GLN B 38 7.967 9.602 8.434 1.00 0.61 H new ATOM 1616 N CYS B 39 8.807 14.691 4.837 1.00 0.56 N ATOM 1617 CA CYS B 39 9.566 14.357 3.637 1.00 0.54 C ATOM 1618 C CYS B 39 9.017 15.095 2.421 1.00 0.59 C ATOM 1619 O CYS B 39 7.808 15.107 2.187 1.00 0.67 O ATOM 1620 CB CYS B 39 9.501 12.842 3.406 1.00 0.48 C ATOM 1621 SG CYS B 39 10.853 12.162 2.390 1.00 0.47 S ATOM 0 H CYS B 39 7.800 14.762 4.691 1.00 0.56 H new ATOM 0 HA CYS B 39 10.602 14.665 3.778 1.00 0.54 H new ATOM 0 HB2 CYS B 39 9.506 12.341 4.374 1.00 0.48 H new ATOM 0 HB3 CYS B 39 8.551 12.602 2.928 1.00 0.48 H new ATOM 1626 N SER B 40 9.907 15.706 1.648 1.00 0.64 N ATOM 1627 CA SER B 40 9.505 16.446 0.456 1.00 0.73 C ATOM 1628 C SER B 40 9.755 15.620 -0.806 1.00 0.72 C ATOM 1629 O SER B 40 10.278 16.127 -1.800 1.00 1.00 O ATOM 1630 CB SER B 40 10.263 17.774 0.380 1.00 0.87 C ATOM 1631 OG SER B 40 9.666 18.649 -0.561 1.00 1.01 O ATOM 0 H SER B 40 10.912 15.704 1.824 1.00 0.64 H new ATOM 0 HA SER B 40 8.437 16.652 0.523 1.00 0.73 H new ATOM 0 HB2 SER B 40 10.276 18.246 1.363 1.00 0.87 H new ATOM 0 HB3 SER B 40 11.300 17.589 0.102 1.00 0.87 H new ATOM 0 HG SER B 40 9.668 18.228 -1.446 1.00 1.01 H new ATOM 1637 N LYS B 41 9.366 14.345 -0.759 1.00 0.66 N ATOM 1638 CA LYS B 41 9.551 13.437 -1.890 1.00 0.64 C ATOM 1639 C LYS B 41 8.673 12.195 -1.735 1.00 0.61 C ATOM 1640 O LYS B 41 8.379 11.769 -0.617 1.00 0.61 O ATOM 1641 CB LYS B 41 11.024 13.020 -1.985 1.00 0.64 C ATOM 1642 CG LYS B 41 11.397 12.347 -3.295 1.00 0.71 C ATOM 1643 CD LYS B 41 12.834 11.856 -3.274 1.00 0.81 C ATOM 1644 CE LYS B 41 13.227 11.218 -4.597 1.00 0.97 C ATOM 1645 NZ LYS B 41 14.619 10.690 -4.570 1.00 1.16 N ATOM 0 H LYS B 41 8.920 13.918 0.053 1.00 0.66 H new ATOM 0 HA LYS B 41 9.260 13.957 -2.803 1.00 0.64 H new ATOM 0 HB2 LYS B 41 11.649 13.903 -1.852 1.00 0.64 H new ATOM 0 HB3 LYS B 41 11.252 12.341 -1.163 1.00 0.64 H new ATOM 0 HG2 LYS B 41 10.726 11.508 -3.479 1.00 0.71 H new ATOM 0 HG3 LYS B 41 11.262 13.049 -4.118 1.00 0.71 H new ATOM 0 HD2 LYS B 41 13.501 12.691 -3.060 1.00 0.81 H new ATOM 0 HD3 LYS B 41 12.960 11.132 -2.469 1.00 0.81 H new ATOM 0 HE2 LYS B 41 12.536 10.407 -4.828 1.00 0.97 H new ATOM 0 HE3 LYS B 41 13.134 11.953 -5.396 1.00 0.97 H new ATOM 0 HZ1 LYS B 41 14.847 10.264 -5.491 1.00 1.16 H new ATOM 0 HZ2 LYS B 41 15.282 11.468 -4.375 1.00 1.16 H new ATOM 0 HZ3 LYS B 41 14.703 9.969 -3.825 1.00 1.16 H new ATOM 1659 N VAL B 42 8.249 11.621 -2.861 1.00 0.61 N ATOM 1660 CA VAL B 42 7.418 10.422 -2.839 1.00 0.62 C ATOM 1661 C VAL B 42 8.287 9.178 -2.652 1.00 0.60 C ATOM 1662 O VAL B 42 9.355 9.057 -3.257 1.00 0.68 O ATOM 1663 CB VAL B 42 6.569 10.282 -4.127 1.00 0.68 C ATOM 1664 CG1 VAL B 42 5.664 11.492 -4.298 1.00 0.72 C ATOM 1665 CG2 VAL B 42 7.450 10.102 -5.358 1.00 0.78 C ATOM 0 H VAL B 42 8.467 11.967 -3.795 1.00 0.61 H new ATOM 0 HA VAL B 42 6.732 10.518 -1.997 1.00 0.62 H new ATOM 0 HB VAL B 42 5.952 9.389 -4.024 1.00 0.68 H new ATOM 0 HG11 VAL B 42 5.074 11.379 -5.207 1.00 0.72 H new ATOM 0 HG12 VAL B 42 4.997 11.572 -3.440 1.00 0.72 H new ATOM 0 HG13 VAL B 42 6.272 12.394 -4.370 1.00 0.72 H new ATOM 0 HG21 VAL B 42 6.822 10.007 -6.244 1.00 0.78 H new ATOM 0 HG22 VAL B 42 8.103 10.968 -5.467 1.00 0.78 H new ATOM 0 HG23 VAL B 42 8.055 9.203 -5.244 1.00 0.78 H new ATOM 1675 N GLU B 43 7.840 8.262 -1.792 1.00 0.56 N ATOM 1676 CA GLU B 43 8.602 7.046 -1.525 1.00 0.54 C ATOM 1677 C GLU B 43 7.676 5.833 -1.523 1.00 0.53 C ATOM 1678 O GLU B 43 6.638 5.838 -0.860 1.00 0.57 O ATOM 1679 CB GLU B 43 9.330 7.166 -0.182 1.00 0.54 C ATOM 1680 CG GLU B 43 9.976 8.527 0.031 1.00 0.61 C ATOM 1681 CD GLU B 43 10.980 8.540 1.158 1.00 0.68 C ATOM 1682 OE1 GLU B 43 10.573 8.344 2.321 1.00 0.80 O ATOM 1683 OE2 GLU B 43 12.173 8.759 0.878 1.00 0.77 O ATOM 0 H GLU B 43 6.964 8.339 -1.275 1.00 0.56 H new ATOM 0 HA GLU B 43 9.343 6.914 -2.313 1.00 0.54 H new ATOM 0 HB2 GLU B 43 8.623 6.977 0.625 1.00 0.54 H new ATOM 0 HB3 GLU B 43 10.097 6.394 -0.122 1.00 0.54 H new ATOM 0 HG2 GLU B 43 10.470 8.835 -0.890 1.00 0.61 H new ATOM 0 HG3 GLU B 43 9.198 9.263 0.237 1.00 0.61 H new ATOM 1690 N VAL B 44 8.055 4.797 -2.266 1.00 0.51 N ATOM 1691 CA VAL B 44 7.237 3.593 -2.357 1.00 0.51 C ATOM 1692 C VAL B 44 7.753 2.473 -1.459 1.00 0.49 C ATOM 1693 O VAL B 44 8.774 1.845 -1.733 1.00 0.53 O ATOM 1694 CB VAL B 44 7.122 3.074 -3.806 1.00 0.55 C ATOM 1695 CG1 VAL B 44 6.030 3.819 -4.556 1.00 0.60 C ATOM 1696 CG2 VAL B 44 8.446 3.201 -4.540 1.00 0.59 C ATOM 0 H VAL B 44 8.917 4.767 -2.810 1.00 0.51 H new ATOM 0 HA VAL B 44 6.246 3.887 -2.011 1.00 0.51 H new ATOM 0 HB VAL B 44 6.858 2.017 -3.762 1.00 0.55 H new ATOM 0 HG11 VAL B 44 5.964 3.439 -5.575 1.00 0.60 H new ATOM 0 HG12 VAL B 44 5.075 3.670 -4.051 1.00 0.60 H new ATOM 0 HG13 VAL B 44 6.266 4.883 -4.580 1.00 0.60 H new ATOM 0 HG21 VAL B 44 8.335 2.828 -5.558 1.00 0.59 H new ATOM 0 HG22 VAL B 44 8.747 4.248 -4.568 1.00 0.59 H new ATOM 0 HG23 VAL B 44 9.207 2.618 -4.021 1.00 0.59 H new ATOM 1706 N VAL B 45 7.034 2.249 -0.373 1.00 0.47 N ATOM 1707 CA VAL B 45 7.360 1.182 0.594 1.00 0.46 C ATOM 1708 C VAL B 45 6.582 -0.112 0.269 1.00 0.48 C ATOM 1709 O VAL B 45 5.554 -0.113 -0.414 1.00 0.51 O ATOM 1710 CB VAL B 45 7.182 1.635 2.064 1.00 0.46 C ATOM 1711 CG1 VAL B 45 7.522 3.096 2.263 1.00 0.61 C ATOM 1712 CG2 VAL B 45 5.763 1.638 2.586 1.00 0.62 C ATOM 0 H VAL B 45 6.207 2.793 -0.125 1.00 0.47 H new ATOM 0 HA VAL B 45 8.421 0.958 0.488 1.00 0.46 H new ATOM 0 HB VAL B 45 7.823 0.913 2.570 1.00 0.46 H new ATOM 0 HG11 VAL B 45 7.381 3.363 3.310 1.00 0.61 H new ATOM 0 HG12 VAL B 45 8.561 3.270 1.981 1.00 0.61 H new ATOM 0 HG13 VAL B 45 6.870 3.709 1.641 1.00 0.61 H new ATOM 0 HG21 VAL B 45 5.758 1.972 3.624 1.00 0.62 H new ATOM 0 HG22 VAL B 45 5.155 2.314 1.984 1.00 0.62 H new ATOM 0 HG23 VAL B 45 5.351 0.630 2.527 1.00 0.62 H new ATOM 1722 N ALA B 46 7.183 -1.233 0.616 1.00 0.48 N ATOM 1723 CA ALA B 46 6.584 -2.562 0.378 1.00 0.51 C ATOM 1724 C ALA B 46 6.836 -3.499 1.563 1.00 0.51 C ATOM 1725 O ALA B 46 7.792 -3.321 2.323 1.00 0.50 O ATOM 1726 CB ALA B 46 7.155 -3.171 -0.906 1.00 0.55 C ATOM 0 H ALA B 46 8.096 -1.265 1.070 1.00 0.48 H new ATOM 0 HA ALA B 46 5.507 -2.437 0.268 1.00 0.51 H new ATOM 0 HB1 ALA B 46 6.708 -4.151 -1.074 1.00 0.55 H new ATOM 0 HB2 ALA B 46 6.928 -2.519 -1.750 1.00 0.55 H new ATOM 0 HB3 ALA B 46 8.236 -3.277 -0.809 1.00 0.55 H new ATOM 1732 N SER B 47 5.934 -4.459 1.720 1.00 0.54 N ATOM 1733 CA SER B 47 6.046 -5.496 2.761 1.00 0.57 C ATOM 1734 C SER B 47 6.010 -6.892 2.136 1.00 0.60 C ATOM 1735 O SER B 47 5.161 -7.209 1.292 1.00 0.63 O ATOM 1736 CB SER B 47 4.913 -5.387 3.783 1.00 0.60 C ATOM 1737 OG SER B 47 4.872 -4.066 4.328 1.00 0.58 O ATOM 0 H SER B 47 5.103 -4.549 1.136 1.00 0.54 H new ATOM 0 HA SER B 47 6.998 -5.340 3.268 1.00 0.57 H new ATOM 0 HB2 SER B 47 3.960 -5.623 3.309 1.00 0.60 H new ATOM 0 HB3 SER B 47 5.061 -6.114 4.581 1.00 0.60 H new ATOM 0 HG SER B 47 4.143 -4.004 4.980 1.00 0.58 H new ATOM 1743 N LEU B 48 6.943 -7.728 2.577 1.00 0.62 N ATOM 1744 CA LEU B 48 7.053 -9.097 2.090 1.00 0.67 C ATOM 1745 C LEU B 48 6.051 -10.009 2.796 1.00 0.71 C ATOM 1746 O LEU B 48 5.368 -9.592 3.732 1.00 0.70 O ATOM 1747 CB LEU B 48 8.475 -9.629 2.304 1.00 0.68 C ATOM 1748 CG LEU B 48 9.528 -9.119 1.313 1.00 0.70 C ATOM 1749 CD1 LEU B 48 10.004 -7.724 1.691 1.00 0.70 C ATOM 1750 CD2 LEU B 48 10.704 -10.084 1.249 1.00 0.75 C ATOM 0 H LEU B 48 7.640 -7.478 3.278 1.00 0.62 H new ATOM 0 HA LEU B 48 6.829 -9.092 1.023 1.00 0.67 H new ATOM 0 HB2 LEU B 48 8.794 -9.367 3.313 1.00 0.68 H new ATOM 0 HB3 LEU B 48 8.449 -10.717 2.251 1.00 0.68 H new ATOM 0 HG LEU B 48 9.067 -9.062 0.327 1.00 0.70 H new ATOM 0 HD11 LEU B 48 10.750 -7.387 0.972 1.00 0.70 H new ATOM 0 HD12 LEU B 48 9.158 -7.037 1.685 1.00 0.70 H new ATOM 0 HD13 LEU B 48 10.445 -7.748 2.687 1.00 0.70 H new ATOM 0 HD21 LEU B 48 11.444 -9.709 0.542 1.00 0.75 H new ATOM 0 HD22 LEU B 48 11.157 -10.171 2.236 1.00 0.75 H new ATOM 0 HD23 LEU B 48 10.354 -11.063 0.923 1.00 0.75 H new ATOM 1762 N LYS B 49 5.977 -11.258 2.342 1.00 0.76 N ATOM 1763 CA LYS B 49 5.065 -12.237 2.926 1.00 0.82 C ATOM 1764 C LYS B 49 5.631 -12.788 4.237 1.00 0.84 C ATOM 1765 O LYS B 49 4.920 -13.431 5.014 1.00 0.89 O ATOM 1766 CB LYS B 49 4.815 -13.378 1.933 1.00 0.89 C ATOM 1767 CG LYS B 49 3.655 -14.286 2.316 1.00 0.98 C ATOM 1768 CD LYS B 49 2.322 -13.554 2.250 1.00 1.05 C ATOM 1769 CE LYS B 49 1.168 -14.456 2.657 1.00 1.23 C ATOM 1770 NZ LYS B 49 1.302 -14.931 4.062 1.00 1.27 N ATOM 0 H LYS B 49 6.539 -11.616 1.570 1.00 0.76 H new ATOM 0 HA LYS B 49 4.118 -11.743 3.144 1.00 0.82 H new ATOM 0 HB2 LYS B 49 4.621 -12.953 0.948 1.00 0.89 H new ATOM 0 HB3 LYS B 49 5.721 -13.978 1.849 1.00 0.89 H new ATOM 0 HG2 LYS B 49 3.631 -15.147 1.648 1.00 0.98 H new ATOM 0 HG3 LYS B 49 3.810 -14.669 3.325 1.00 0.98 H new ATOM 0 HD2 LYS B 49 2.352 -12.683 2.904 1.00 1.05 H new ATOM 0 HD3 LYS B 49 2.158 -13.187 1.237 1.00 1.05 H new ATOM 0 HE2 LYS B 49 0.228 -13.916 2.545 1.00 1.23 H new ATOM 0 HE3 LYS B 49 1.124 -15.314 1.986 1.00 1.23 H new ATOM 0 HZ1 LYS B 49 0.404 -15.354 4.373 1.00 1.27 H new ATOM 0 HZ2 LYS B 49 2.058 -15.643 4.117 1.00 1.27 H new ATOM 0 HZ3 LYS B 49 1.538 -14.128 4.679 1.00 1.27 H new ATOM 1784 N ASN B 50 6.911 -12.518 4.482 1.00 0.81 N ATOM 1785 CA ASN B 50 7.580 -12.978 5.696 1.00 0.84 C ATOM 1786 C ASN B 50 7.339 -12.011 6.856 1.00 0.80 C ATOM 1787 O ASN B 50 7.740 -12.277 7.989 1.00 0.97 O ATOM 1788 CB ASN B 50 9.084 -13.126 5.447 1.00 0.86 C ATOM 1789 CG ASN B 50 9.399 -14.109 4.336 1.00 0.94 C ATOM 1790 OD1 ASN B 50 8.677 -15.084 4.128 1.00 0.99 O ATOM 1791 ND2 ASN B 50 10.483 -13.856 3.611 1.00 0.97 N ATOM 0 H ASN B 50 7.508 -11.981 3.853 1.00 0.81 H new ATOM 0 HA ASN B 50 7.162 -13.948 5.964 1.00 0.84 H new ATOM 0 HB2 ASN B 50 9.504 -12.152 5.195 1.00 0.86 H new ATOM 0 HB3 ASN B 50 9.570 -13.454 6.366 1.00 0.86 H new ATOM 0 HD21 ASN B 50 10.744 -14.481 2.849 1.00 0.97 H new ATOM 0 HD22 ASN B 50 11.054 -13.036 3.817 1.00 0.97 H new ATOM 1798 N GLY B 51 6.683 -10.889 6.563 1.00 0.67 N ATOM 1799 CA GLY B 51 6.402 -9.899 7.587 1.00 0.65 C ATOM 1800 C GLY B 51 7.513 -8.877 7.722 1.00 0.60 C ATOM 1801 O GLY B 51 7.891 -8.503 8.833 1.00 0.67 O ATOM 0 H GLY B 51 6.341 -10.649 5.632 1.00 0.67 H new ATOM 0 HA2 GLY B 51 5.469 -9.388 7.349 1.00 0.65 H new ATOM 0 HA3 GLY B 51 6.255 -10.401 8.543 1.00 0.65 H new ATOM 1805 N LYS B 52 8.040 -8.428 6.586 1.00 0.57 N ATOM 1806 CA LYS B 52 9.118 -7.445 6.574 1.00 0.55 C ATOM 1807 C LYS B 52 8.722 -6.207 5.779 1.00 0.51 C ATOM 1808 O LYS B 52 7.807 -6.253 4.966 1.00 0.60 O ATOM 1809 CB LYS B 52 10.387 -8.056 5.976 1.00 0.59 C ATOM 1810 CG LYS B 52 10.996 -9.162 6.825 1.00 0.66 C ATOM 1811 CD LYS B 52 12.212 -9.782 6.152 1.00 0.79 C ATOM 1812 CE LYS B 52 13.356 -8.787 6.029 1.00 0.86 C ATOM 1813 NZ LYS B 52 14.546 -9.390 5.369 1.00 1.05 N ATOM 0 H LYS B 52 7.737 -8.730 5.660 1.00 0.57 H new ATOM 0 HA LYS B 52 9.311 -7.148 7.605 1.00 0.55 H new ATOM 0 HB2 LYS B 52 10.156 -8.455 4.988 1.00 0.59 H new ATOM 0 HB3 LYS B 52 11.127 -7.268 5.837 1.00 0.59 H new ATOM 0 HG2 LYS B 52 11.283 -8.759 7.796 1.00 0.66 H new ATOM 0 HG3 LYS B 52 10.248 -9.934 7.008 1.00 0.66 H new ATOM 0 HD2 LYS B 52 12.543 -10.648 6.725 1.00 0.79 H new ATOM 0 HD3 LYS B 52 11.935 -10.142 5.161 1.00 0.79 H new ATOM 0 HE2 LYS B 52 13.024 -7.920 5.457 1.00 0.86 H new ATOM 0 HE3 LYS B 52 13.633 -8.428 7.020 1.00 0.86 H new ATOM 0 HZ1 LYS B 52 15.304 -8.681 5.304 1.00 1.05 H new ATOM 0 HZ2 LYS B 52 14.879 -10.202 5.928 1.00 1.05 H new ATOM 0 HZ3 LYS B 52 14.288 -9.710 4.414 1.00 1.05 H new ATOM 1827 N GLU B 53 9.420 -5.106 6.027 1.00 0.53 N ATOM 1828 CA GLU B 53 9.161 -3.834 5.331 1.00 0.50 C ATOM 1829 C GLU B 53 10.484 -3.215 4.865 1.00 0.50 C ATOM 1830 O GLU B 53 11.454 -3.126 5.622 1.00 0.52 O ATOM 1831 CB GLU B 53 8.407 -2.877 6.264 1.00 0.51 C ATOM 1832 CG GLU B 53 9.257 -2.457 7.470 1.00 0.66 C ATOM 1833 CD GLU B 53 8.473 -1.697 8.524 1.00 0.66 C ATOM 1834 OE1 GLU B 53 7.520 -2.308 9.051 1.00 0.67 O ATOM 1835 OE2 GLU B 53 8.901 -0.565 8.831 1.00 0.71 O ATOM 0 H GLU B 53 10.177 -5.060 6.709 1.00 0.53 H new ATOM 0 HA GLU B 53 8.542 -4.019 4.453 1.00 0.50 H new ATOM 0 HB2 GLU B 53 8.106 -1.990 5.707 1.00 0.51 H new ATOM 0 HB3 GLU B 53 7.494 -3.358 6.615 1.00 0.51 H new ATOM 0 HG2 GLU B 53 9.695 -3.346 7.924 1.00 0.66 H new ATOM 0 HG3 GLU B 53 10.083 -1.836 7.124 1.00 0.66 H new ATOM 1842 N ILE B 54 10.506 -2.858 3.601 1.00 0.47 N ATOM 1843 CA ILE B 54 11.694 -2.208 3.010 1.00 0.47 C ATOM 1844 C ILE B 54 11.277 -0.910 2.300 1.00 0.45 C ATOM 1845 O ILE B 54 10.090 -0.586 2.199 1.00 0.43 O ATOM 1846 CB ILE B 54 12.449 -3.181 2.085 1.00 0.49 C ATOM 1847 CG1 ILE B 54 11.572 -3.611 0.895 1.00 0.47 C ATOM 1848 CG2 ILE B 54 13.002 -4.369 2.896 1.00 0.52 C ATOM 1849 CD1 ILE B 54 12.298 -4.440 -0.168 1.00 0.49 C ATOM 0 H ILE B 54 9.731 -2.997 2.953 1.00 0.47 H new ATOM 0 HA ILE B 54 12.393 -1.937 3.801 1.00 0.47 H new ATOM 0 HB ILE B 54 13.308 -2.668 1.652 1.00 0.49 H new ATOM 0 HG12 ILE B 54 10.728 -4.188 1.273 1.00 0.47 H new ATOM 0 HG13 ILE B 54 11.161 -2.719 0.423 1.00 0.47 H new ATOM 0 HG21 ILE B 54 13.533 -5.049 2.230 1.00 0.52 H new ATOM 0 HG22 ILE B 54 13.687 -4.001 3.660 1.00 0.52 H new ATOM 0 HG23 ILE B 54 12.178 -4.899 3.373 1.00 0.52 H new ATOM 0 HD11 ILE B 54 11.602 -4.697 -0.967 1.00 0.49 H new ATOM 0 HD12 ILE B 54 13.125 -3.861 -0.579 1.00 0.49 H new ATOM 0 HD13 ILE B 54 12.685 -5.353 0.284 1.00 0.49 H new ATOM 1861 N CYS B 55 12.276 -0.247 1.741 1.00 0.45 N ATOM 1862 CA CYS B 55 12.071 0.987 0.972 1.00 0.44 C ATOM 1863 C CYS B 55 12.735 0.845 -0.390 1.00 0.45 C ATOM 1864 O CYS B 55 13.875 0.407 -0.512 1.00 0.48 O ATOM 1865 CB CYS B 55 12.701 2.168 1.701 1.00 0.44 C ATOM 1866 SG CYS B 55 11.839 2.621 3.246 1.00 0.44 S ATOM 0 H CYS B 55 13.251 -0.541 1.802 1.00 0.45 H new ATOM 0 HA CYS B 55 11.001 1.159 0.856 1.00 0.44 H new ATOM 0 HB2 CYS B 55 13.739 1.930 1.931 1.00 0.44 H new ATOM 0 HB3 CYS B 55 12.712 3.031 1.035 1.00 0.44 H new ATOM 1871 N LEU B 56 12.020 1.320 -1.385 1.00 0.44 N ATOM 1872 CA LEU B 56 12.487 1.242 -2.766 1.00 0.47 C ATOM 1873 C LEU B 56 12.746 2.662 -3.279 1.00 0.48 C ATOM 1874 O LEU B 56 12.114 3.628 -2.837 1.00 0.46 O ATOM 1875 CB LEU B 56 11.371 0.487 -3.504 1.00 0.46 C ATOM 1876 CG LEU B 56 11.032 -0.934 -3.035 1.00 0.46 C ATOM 1877 CD1 LEU B 56 10.067 -1.567 -4.037 1.00 0.47 C ATOM 1878 CD2 LEU B 56 12.271 -1.818 -2.867 1.00 0.49 C ATOM 0 H LEU B 56 11.110 1.767 -1.271 1.00 0.44 H new ATOM 0 HA LEU B 56 13.431 0.716 -2.907 1.00 0.47 H new ATOM 0 HB2 LEU B 56 10.463 1.086 -3.439 1.00 0.46 H new ATOM 0 HB3 LEU B 56 11.643 0.435 -4.558 1.00 0.46 H new ATOM 0 HG LEU B 56 10.571 -0.858 -2.050 1.00 0.46 H new ATOM 0 HD11 LEU B 56 9.819 -2.578 -3.714 1.00 0.47 H new ATOM 0 HD12 LEU B 56 9.157 -0.970 -4.093 1.00 0.47 H new ATOM 0 HD13 LEU B 56 10.536 -1.605 -5.020 1.00 0.47 H new ATOM 0 HD21 LEU B 56 11.967 -2.810 -2.534 1.00 0.49 H new ATOM 0 HD22 LEU B 56 12.792 -1.899 -3.821 1.00 0.49 H new ATOM 0 HD23 LEU B 56 12.937 -1.375 -2.127 1.00 0.49 H new ATOM 1890 N ASP B 57 13.647 2.812 -4.242 1.00 0.50 N ATOM 1891 CA ASP B 57 13.930 4.135 -4.806 1.00 0.52 C ATOM 1892 C ASP B 57 13.218 4.313 -6.151 1.00 0.54 C ATOM 1893 O ASP B 57 13.572 3.652 -7.126 1.00 0.59 O ATOM 1894 CB ASP B 57 15.435 4.332 -4.993 1.00 0.57 C ATOM 1895 CG ASP B 57 15.874 5.758 -4.715 1.00 0.58 C ATOM 1896 OD1 ASP B 57 15.294 6.688 -5.314 1.00 0.60 O ATOM 1897 OD2 ASP B 57 16.797 5.943 -3.896 1.00 0.63 O ATOM 0 H ASP B 57 14.190 2.049 -4.647 1.00 0.50 H new ATOM 0 HA ASP B 57 13.559 4.883 -4.106 1.00 0.52 H new ATOM 0 HB2 ASP B 57 15.972 3.654 -4.329 1.00 0.57 H new ATOM 0 HB3 ASP B 57 15.709 4.063 -6.013 1.00 0.57 H new ATOM 1902 N PRO B 58 12.204 5.217 -6.222 1.00 0.55 N ATOM 1903 CA PRO B 58 11.434 5.477 -7.462 1.00 0.61 C ATOM 1904 C PRO B 58 12.327 5.883 -8.631 1.00 0.69 C ATOM 1905 O PRO B 58 11.920 5.854 -9.792 1.00 0.83 O ATOM 1906 CB PRO B 58 10.509 6.636 -7.075 1.00 0.64 C ATOM 1907 CG PRO B 58 10.425 6.602 -5.590 1.00 0.60 C ATOM 1908 CD PRO B 58 11.741 6.060 -5.103 1.00 0.57 C ATOM 0 HA PRO B 58 10.907 4.586 -7.802 1.00 0.61 H new ATOM 0 HB2 PRO B 58 10.908 7.589 -7.423 1.00 0.64 H new ATOM 0 HB3 PRO B 58 9.524 6.519 -7.526 1.00 0.64 H new ATOM 0 HG2 PRO B 58 10.243 7.599 -5.188 1.00 0.60 H new ATOM 0 HG3 PRO B 58 9.599 5.970 -5.262 1.00 0.60 H new ATOM 0 HD2 PRO B 58 12.448 6.860 -4.885 1.00 0.57 H new ATOM 0 HD3 PRO B 58 11.622 5.481 -4.187 1.00 0.57 H new ATOM 1916 N GLU B 59 13.547 6.262 -8.288 1.00 0.65 N ATOM 1917 CA GLU B 59 14.577 6.672 -9.252 1.00 0.77 C ATOM 1918 C GLU B 59 15.039 5.531 -10.187 1.00 0.82 C ATOM 1919 O GLU B 59 15.675 5.774 -11.210 1.00 0.91 O ATOM 1920 CB GLU B 59 15.762 7.254 -8.475 1.00 0.83 C ATOM 1921 CG GLU B 59 16.777 7.912 -9.412 1.00 1.10 C ATOM 1922 CD GLU B 59 17.943 8.543 -8.662 1.00 1.18 C ATOM 1923 OE1 GLU B 59 18.644 7.790 -7.948 1.00 1.40 O ATOM 1924 OE2 GLU B 59 18.098 9.770 -8.825 1.00 1.28 O ATOM 0 H GLU B 59 13.863 6.297 -7.319 1.00 0.65 H new ATOM 0 HA GLU B 59 14.140 7.423 -9.910 1.00 0.77 H new ATOM 0 HB2 GLU B 59 15.401 7.988 -7.755 1.00 0.83 H new ATOM 0 HB3 GLU B 59 16.250 6.462 -7.906 1.00 0.83 H new ATOM 0 HG2 GLU B 59 17.159 7.166 -10.109 1.00 1.10 H new ATOM 0 HG3 GLU B 59 16.276 8.676 -10.006 1.00 1.10 H new ATOM 1931 N ALA B 60 14.739 4.292 -9.815 1.00 0.80 N ATOM 1932 CA ALA B 60 15.139 3.127 -10.605 1.00 0.88 C ATOM 1933 C ALA B 60 13.960 2.609 -11.451 1.00 0.91 C ATOM 1934 O ALA B 60 12.865 2.400 -10.923 1.00 0.89 O ATOM 1935 CB ALA B 60 15.657 2.062 -9.638 1.00 0.88 C ATOM 0 H ALA B 60 14.218 4.065 -8.968 1.00 0.80 H new ATOM 0 HA ALA B 60 15.928 3.394 -11.308 1.00 0.88 H new ATOM 0 HB1 ALA B 60 15.963 1.179 -10.199 1.00 0.88 H new ATOM 0 HB2 ALA B 60 16.511 2.456 -9.086 1.00 0.88 H new ATOM 0 HB3 ALA B 60 14.867 1.791 -8.938 1.00 0.88 H new ATOM 1941 N PRO B 61 14.220 2.301 -12.728 1.00 0.99 N ATOM 1942 CA PRO B 61 13.198 1.819 -13.679 1.00 1.03 C ATOM 1943 C PRO B 61 12.617 0.448 -13.305 1.00 1.03 C ATOM 1944 O PRO B 61 11.400 0.294 -13.233 1.00 1.01 O ATOM 1945 CB PRO B 61 13.911 1.783 -15.030 1.00 1.15 C ATOM 1946 CG PRO B 61 15.370 1.514 -14.657 1.00 1.19 C ATOM 1947 CD PRO B 61 15.552 2.323 -13.372 1.00 1.07 C ATOM 0 HA PRO B 61 12.329 2.477 -13.683 1.00 1.03 H new ATOM 0 HB2 PRO B 61 13.511 1.000 -15.674 1.00 1.15 H new ATOM 0 HB3 PRO B 61 13.801 2.725 -15.567 1.00 1.15 H new ATOM 0 HG2 PRO B 61 15.556 0.452 -14.495 1.00 1.19 H new ATOM 0 HG3 PRO B 61 16.054 1.841 -15.440 1.00 1.19 H new ATOM 0 HD2 PRO B 61 16.311 1.879 -12.728 1.00 1.07 H new ATOM 0 HD3 PRO B 61 15.872 3.343 -13.587 1.00 1.07 H new ATOM 1955 N PHE B 62 13.491 -0.467 -12.872 1.00 1.06 N ATOM 1956 CA PHE B 62 13.080 -1.812 -12.412 1.00 1.08 C ATOM 1957 C PHE B 62 12.139 -1.737 -11.206 1.00 0.98 C ATOM 1958 O PHE B 62 11.274 -2.586 -11.020 1.00 0.98 O ATOM 1959 CB PHE B 62 14.296 -2.679 -12.062 1.00 1.15 C ATOM 1960 CG PHE B 62 15.107 -2.138 -10.883 1.00 1.11 C ATOM 1961 CD1 PHE B 62 14.778 -2.506 -9.585 1.00 1.07 C ATOM 1962 CD2 PHE B 62 16.192 -1.304 -11.121 1.00 1.14 C ATOM 1963 CE1 PHE B 62 15.533 -2.042 -8.522 1.00 1.07 C ATOM 1964 CE2 PHE B 62 16.958 -0.853 -10.056 1.00 1.14 C ATOM 1965 CZ PHE B 62 16.622 -1.212 -8.758 1.00 1.10 C ATOM 0 H PHE B 62 14.497 -0.305 -12.828 1.00 1.06 H new ATOM 0 HA PHE B 62 12.544 -2.274 -13.241 1.00 1.08 H new ATOM 0 HB2 PHE B 62 13.958 -3.689 -11.829 1.00 1.15 H new ATOM 0 HB3 PHE B 62 14.944 -2.754 -12.936 1.00 1.15 H new ATOM 0 HD1 PHE B 62 13.933 -3.154 -9.405 1.00 1.07 H new ATOM 0 HD2 PHE B 62 16.438 -1.008 -12.130 1.00 1.14 H new ATOM 0 HE1 PHE B 62 15.276 -2.324 -7.512 1.00 1.07 H new ATOM 0 HE2 PHE B 62 17.816 -0.222 -10.237 1.00 1.14 H new ATOM 0 HZ PHE B 62 17.209 -0.845 -7.929 1.00 1.10 H new ATOM 1975 N LEU B 63 12.264 -0.653 -10.460 1.00 0.90 N ATOM 1976 CA LEU B 63 11.427 -0.413 -9.301 1.00 0.80 C ATOM 1977 C LEU B 63 9.986 -0.136 -9.726 1.00 0.83 C ATOM 1978 O LEU B 63 9.041 -0.540 -9.052 1.00 0.83 O ATOM 1979 CB LEU B 63 11.974 0.780 -8.542 1.00 0.71 C ATOM 1980 CG LEU B 63 11.865 0.690 -7.036 1.00 0.64 C ATOM 1981 CD1 LEU B 63 13.266 0.582 -6.444 1.00 0.62 C ATOM 1982 CD2 LEU B 63 11.107 1.900 -6.509 1.00 0.62 C ATOM 0 H LEU B 63 12.947 0.083 -10.641 1.00 0.90 H new ATOM 0 HA LEU B 63 11.433 -1.298 -8.665 1.00 0.80 H new ATOM 0 HB2 LEU B 63 13.023 0.909 -8.807 1.00 0.71 H new ATOM 0 HB3 LEU B 63 11.448 1.675 -8.876 1.00 0.71 H new ATOM 0 HG LEU B 63 11.307 -0.198 -6.740 1.00 0.64 H new ATOM 0 HD11 LEU B 63 13.198 0.517 -5.358 1.00 0.62 H new ATOM 0 HD12 LEU B 63 13.757 -0.311 -6.831 1.00 0.62 H new ATOM 0 HD13 LEU B 63 13.846 1.463 -6.719 1.00 0.62 H new ATOM 0 HD21 LEU B 63 11.028 1.836 -5.424 1.00 0.62 H new ATOM 0 HD22 LEU B 63 11.641 2.811 -6.781 1.00 0.62 H new ATOM 0 HD23 LEU B 63 10.108 1.922 -6.945 1.00 0.62 H new ATOM 1994 N LYS B 64 9.839 0.554 -10.857 1.00 0.87 N ATOM 1995 CA LYS B 64 8.526 0.898 -11.400 1.00 0.93 C ATOM 1996 C LYS B 64 7.935 -0.281 -12.185 1.00 0.97 C ATOM 1997 O LYS B 64 6.753 -0.300 -12.501 1.00 1.03 O ATOM 1998 CB LYS B 64 8.643 2.130 -12.300 1.00 1.02 C ATOM 1999 CG LYS B 64 7.304 2.767 -12.646 1.00 1.12 C ATOM 2000 CD LYS B 64 7.472 3.964 -13.568 1.00 1.30 C ATOM 2001 CE LYS B 64 7.940 3.543 -14.954 1.00 1.47 C ATOM 2002 NZ LYS B 64 8.014 4.695 -15.894 1.00 1.71 N ATOM 0 H LYS B 64 10.622 0.888 -11.419 1.00 0.87 H new ATOM 0 HA LYS B 64 7.855 1.124 -10.571 1.00 0.93 H new ATOM 0 HB2 LYS B 64 9.271 2.871 -11.806 1.00 1.02 H new ATOM 0 HB3 LYS B 64 9.150 1.848 -13.223 1.00 1.02 H new ATOM 0 HG2 LYS B 64 6.662 2.027 -13.124 1.00 1.12 H new ATOM 0 HG3 LYS B 64 6.803 3.081 -11.730 1.00 1.12 H new ATOM 0 HD2 LYS B 64 6.525 4.497 -13.650 1.00 1.30 H new ATOM 0 HD3 LYS B 64 8.192 4.659 -13.136 1.00 1.30 H new ATOM 0 HE2 LYS B 64 8.921 3.074 -14.878 1.00 1.47 H new ATOM 0 HE3 LYS B 64 7.258 2.793 -15.354 1.00 1.47 H new ATOM 0 HZ1 LYS B 64 8.337 4.363 -16.825 1.00 1.71 H new ATOM 0 HZ2 LYS B 64 7.073 5.128 -15.988 1.00 1.71 H new ATOM 0 HZ3 LYS B 64 8.684 5.400 -15.527 1.00 1.71 H new ATOM 2016 N LYS B 65 8.786 -1.256 -12.481 1.00 0.98 N ATOM 2017 CA LYS B 65 8.407 -2.471 -13.223 1.00 1.04 C ATOM 2018 C LYS B 65 7.687 -3.504 -12.352 1.00 1.02 C ATOM 2019 O LYS B 65 6.522 -3.817 -12.592 1.00 1.07 O ATOM 2020 CB LYS B 65 9.653 -3.104 -13.831 1.00 1.07 C ATOM 2021 CG LYS B 65 10.286 -2.193 -14.881 1.00 1.14 C ATOM 2022 CD LYS B 65 11.467 -2.887 -15.568 1.00 1.20 C ATOM 2023 CE LYS B 65 11.039 -4.111 -16.388 1.00 1.27 C ATOM 2024 NZ LYS B 65 10.140 -3.740 -17.489 1.00 1.36 N ATOM 0 H LYS B 65 9.770 -1.233 -12.214 1.00 0.98 H new ATOM 0 HA LYS B 65 7.708 -2.164 -14.001 1.00 1.04 H new ATOM 0 HB2 LYS B 65 10.378 -3.313 -13.044 1.00 1.07 H new ATOM 0 HB3 LYS B 65 9.392 -4.060 -14.286 1.00 1.07 H new ATOM 0 HG2 LYS B 65 9.539 -1.916 -15.625 1.00 1.14 H new ATOM 0 HG3 LYS B 65 10.625 -1.270 -14.410 1.00 1.14 H new ATOM 0 HD2 LYS B 65 11.971 -2.175 -16.222 1.00 1.20 H new ATOM 0 HD3 LYS B 65 12.191 -3.195 -14.814 1.00 1.20 H new ATOM 0 HE2 LYS B 65 11.923 -4.606 -16.791 1.00 1.27 H new ATOM 0 HE3 LYS B 65 10.540 -4.829 -15.737 1.00 1.27 H new ATOM 0 HZ1 LYS B 65 10.021 -4.552 -18.128 1.00 1.36 H new ATOM 0 HZ2 LYS B 65 9.214 -3.464 -17.103 1.00 1.36 H new ATOM 0 HZ3 LYS B 65 10.548 -2.941 -18.016 1.00 1.36 H new ATOM 2038 N VAL B 66 8.348 -3.867 -11.253 1.00 0.96 N ATOM 2039 CA VAL B 66 7.801 -4.810 -10.287 1.00 0.95 C ATOM 2040 C VAL B 66 6.509 -4.271 -9.653 1.00 0.95 C ATOM 2041 O VAL B 66 5.639 -5.046 -9.259 1.00 0.97 O ATOM 2042 CB VAL B 66 8.834 -5.140 -9.181 1.00 0.92 C ATOM 2043 CG1 VAL B 66 10.071 -5.788 -9.785 1.00 0.93 C ATOM 2044 CG2 VAL B 66 9.220 -3.893 -8.396 1.00 0.91 C ATOM 0 H VAL B 66 9.274 -3.515 -11.011 1.00 0.96 H new ATOM 0 HA VAL B 66 7.565 -5.727 -10.828 1.00 0.95 H new ATOM 0 HB VAL B 66 8.370 -5.843 -8.489 1.00 0.92 H new ATOM 0 HG11 VAL B 66 10.787 -6.013 -8.994 1.00 0.93 H new ATOM 0 HG12 VAL B 66 9.788 -6.711 -10.292 1.00 0.93 H new ATOM 0 HG13 VAL B 66 10.526 -5.105 -10.502 1.00 0.93 H new ATOM 0 HG21 VAL B 66 9.946 -4.157 -7.627 1.00 0.91 H new ATOM 0 HG22 VAL B 66 9.658 -3.159 -9.072 1.00 0.91 H new ATOM 0 HG23 VAL B 66 8.332 -3.469 -7.926 1.00 0.91 H new ATOM 2054 N ILE B 67 6.380 -2.937 -9.560 1.00 0.95 N ATOM 2055 CA ILE B 67 5.171 -2.329 -8.995 1.00 0.97 C ATOM 2056 C ILE B 67 4.119 -2.129 -10.083 1.00 1.02 C ATOM 2057 O ILE B 67 2.933 -1.982 -9.791 1.00 1.08 O ATOM 2058 CB ILE B 67 5.439 -0.983 -8.283 1.00 0.99 C ATOM 2059 CG1 ILE B 67 5.954 0.062 -9.271 1.00 1.00 C ATOM 2060 CG2 ILE B 67 6.418 -1.173 -7.133 1.00 0.98 C ATOM 2061 CD1 ILE B 67 6.017 1.466 -8.702 1.00 1.07 C ATOM 0 H ILE B 67 7.089 -2.270 -9.865 1.00 0.95 H new ATOM 0 HA ILE B 67 4.805 -3.025 -8.240 1.00 0.97 H new ATOM 0 HB ILE B 67 4.497 -0.620 -7.872 1.00 0.99 H new ATOM 0 HG12 ILE B 67 6.950 -0.229 -9.606 1.00 1.00 H new ATOM 0 HG13 ILE B 67 5.310 0.065 -10.150 1.00 1.00 H new ATOM 0 HG21 ILE B 67 6.595 -0.215 -6.644 1.00 0.98 H new ATOM 0 HG22 ILE B 67 6.001 -1.877 -6.413 1.00 0.98 H new ATOM 0 HG23 ILE B 67 7.360 -1.563 -7.518 1.00 0.98 H new ATOM 0 HD11 ILE B 67 6.392 2.150 -9.463 1.00 1.07 H new ATOM 0 HD12 ILE B 67 5.020 1.778 -8.393 1.00 1.07 H new ATOM 0 HD13 ILE B 67 6.685 1.480 -7.841 1.00 1.07 H new ATOM 2073 N GLN B 68 4.563 -2.093 -11.340 1.00 1.04 N ATOM 2074 CA GLN B 68 3.633 -1.968 -12.474 1.00 1.12 C ATOM 2075 C GLN B 68 2.916 -3.303 -12.733 1.00 1.11 C ATOM 2076 O GLN B 68 1.698 -3.336 -12.897 1.00 1.15 O ATOM 2077 CB GLN B 68 4.397 -1.539 -13.720 1.00 1.19 C ATOM 2078 CG GLN B 68 3.439 -1.217 -14.858 1.00 1.30 C ATOM 2079 CD GLN B 68 4.211 -0.762 -16.089 1.00 1.39 C ATOM 2080 OE1 GLN B 68 5.105 -1.412 -16.604 1.00 1.39 O ATOM 2081 NE2 GLN B 68 3.812 0.385 -16.588 1.00 1.52 N ATOM 0 H GLN B 68 5.547 -2.148 -11.602 1.00 1.04 H new ATOM 0 HA GLN B 68 2.884 -1.214 -12.231 1.00 1.12 H new ATOM 0 HB2 GLN B 68 5.008 -0.665 -13.494 1.00 1.19 H new ATOM 0 HB3 GLN B 68 5.078 -2.333 -14.026 1.00 1.19 H new ATOM 0 HG2 GLN B 68 2.842 -2.097 -15.100 1.00 1.30 H new ATOM 0 HG3 GLN B 68 2.744 -0.436 -14.547 1.00 1.30 H new ATOM 0 HE21 GLN B 68 3.061 0.905 -16.134 1.00 1.52 H new ATOM 0 HE22 GLN B 68 4.253 0.756 -17.430 1.00 1.52 H new ATOM 2090 N LYS B 69 3.681 -4.396 -12.686 1.00 1.10 N ATOM 2091 CA LYS B 69 3.155 -5.744 -12.930 1.00 1.13 C ATOM 2092 C LYS B 69 2.066 -6.159 -11.934 1.00 1.15 C ATOM 2093 O LYS B 69 1.169 -6.926 -12.288 1.00 1.23 O ATOM 2094 CB LYS B 69 4.290 -6.769 -12.886 1.00 1.11 C ATOM 2095 CG LYS B 69 5.215 -6.716 -14.089 1.00 1.16 C ATOM 2096 CD LYS B 69 6.222 -7.857 -14.064 1.00 1.24 C ATOM 2097 CE LYS B 69 7.044 -7.908 -15.341 1.00 1.40 C ATOM 2098 NZ LYS B 69 7.957 -9.084 -15.367 1.00 1.61 N ATOM 0 H LYS B 69 4.679 -4.374 -12.479 1.00 1.10 H new ATOM 0 HA LYS B 69 2.698 -5.718 -13.919 1.00 1.13 H new ATOM 0 HB2 LYS B 69 4.877 -6.608 -11.982 1.00 1.11 H new ATOM 0 HB3 LYS B 69 3.861 -7.768 -12.814 1.00 1.11 H new ATOM 0 HG2 LYS B 69 4.627 -6.768 -15.005 1.00 1.16 H new ATOM 0 HG3 LYS B 69 5.743 -5.763 -14.103 1.00 1.16 H new ATOM 0 HD2 LYS B 69 6.886 -7.738 -13.208 1.00 1.24 H new ATOM 0 HD3 LYS B 69 5.697 -8.803 -13.931 1.00 1.24 H new ATOM 0 HE2 LYS B 69 6.376 -7.948 -16.201 1.00 1.40 H new ATOM 0 HE3 LYS B 69 7.628 -6.993 -15.433 1.00 1.40 H new ATOM 0 HZ1 LYS B 69 8.500 -9.083 -16.254 1.00 1.61 H new ATOM 0 HZ2 LYS B 69 8.612 -9.033 -14.560 1.00 1.61 H new ATOM 0 HZ3 LYS B 69 7.398 -9.959 -15.305 1.00 1.61 H new ATOM 2112 N ILE B 70 2.136 -5.666 -10.697 1.00 1.14 N ATOM 2113 CA ILE B 70 1.142 -6.029 -9.681 1.00 1.20 C ATOM 2114 C ILE B 70 -0.199 -5.325 -9.906 1.00 1.31 C ATOM 2115 O ILE B 70 -1.185 -5.624 -9.232 1.00 1.43 O ATOM 2116 CB ILE B 70 1.634 -5.733 -8.247 1.00 1.18 C ATOM 2117 CG1 ILE B 70 1.895 -4.236 -8.058 1.00 1.17 C ATOM 2118 CG2 ILE B 70 2.884 -6.543 -7.936 1.00 1.29 C ATOM 2119 CD1 ILE B 70 2.342 -3.862 -6.660 1.00 1.30 C ATOM 0 H ILE B 70 2.859 -5.023 -10.375 1.00 1.14 H new ATOM 0 HA ILE B 70 0.998 -7.104 -9.787 1.00 1.20 H new ATOM 0 HB ILE B 70 0.851 -6.028 -7.549 1.00 1.18 H new ATOM 0 HG12 ILE B 70 2.657 -3.917 -8.770 1.00 1.17 H new ATOM 0 HG13 ILE B 70 0.985 -3.686 -8.297 1.00 1.17 H new ATOM 0 HG21 ILE B 70 3.217 -6.323 -6.922 1.00 1.29 H new ATOM 0 HG22 ILE B 70 2.659 -7.606 -8.021 1.00 1.29 H new ATOM 0 HG23 ILE B 70 3.672 -6.281 -8.642 1.00 1.29 H new ATOM 0 HD11 ILE B 70 2.506 -2.786 -6.606 1.00 1.30 H new ATOM 0 HD12 ILE B 70 1.572 -4.148 -5.943 1.00 1.30 H new ATOM 0 HD13 ILE B 70 3.270 -4.383 -6.423 1.00 1.30 H new ATOM 2131 N LEU B 71 -0.231 -4.391 -10.854 1.00 1.33 N ATOM 2132 CA LEU B 71 -1.455 -3.662 -11.169 1.00 1.48 C ATOM 2133 C LEU B 71 -2.274 -4.406 -12.220 1.00 1.57 C ATOM 2134 O LEU B 71 -3.506 -4.392 -12.180 1.00 1.69 O ATOM 2135 CB LEU B 71 -1.126 -2.251 -11.662 1.00 1.53 C ATOM 2136 CG LEU B 71 -0.952 -1.202 -10.562 1.00 1.62 C ATOM 2137 CD1 LEU B 71 -0.129 -0.028 -11.069 1.00 1.79 C ATOM 2138 CD2 LEU B 71 -2.308 -0.725 -10.062 1.00 1.64 C ATOM 0 H LEU B 71 0.576 -4.122 -11.416 1.00 1.33 H new ATOM 0 HA LEU B 71 -2.048 -3.587 -10.258 1.00 1.48 H new ATOM 0 HB2 LEU B 71 -0.209 -2.293 -12.250 1.00 1.53 H new ATOM 0 HB3 LEU B 71 -1.920 -1.923 -12.333 1.00 1.53 H new ATOM 0 HG LEU B 71 -0.419 -1.662 -9.730 1.00 1.62 H new ATOM 0 HD11 LEU B 71 -0.016 0.708 -10.273 1.00 1.79 H new ATOM 0 HD12 LEU B 71 0.854 -0.380 -11.380 1.00 1.79 H new ATOM 0 HD13 LEU B 71 -0.635 0.431 -11.918 1.00 1.79 H new ATOM 0 HD21 LEU B 71 -2.166 0.021 -9.280 1.00 1.64 H new ATOM 0 HD22 LEU B 71 -2.865 -0.283 -10.888 1.00 1.64 H new ATOM 0 HD23 LEU B 71 -2.866 -1.571 -9.660 1.00 1.64 H new ATOM 2150 N ASP B 72 -1.585 -5.059 -13.155 1.00 1.58 N ATOM 2151 CA ASP B 72 -2.251 -5.810 -14.213 1.00 1.72 C ATOM 2152 C ASP B 72 -2.623 -7.201 -13.718 1.00 1.72 C ATOM 2153 O ASP B 72 -3.717 -7.694 -13.991 1.00 1.79 O ATOM 2154 CB ASP B 72 -1.345 -5.910 -15.442 1.00 1.80 C ATOM 2155 CG ASP B 72 -1.915 -6.823 -16.508 1.00 2.04 C ATOM 2156 OD1 ASP B 72 -2.930 -6.445 -17.131 1.00 2.25 O ATOM 2157 OD2 ASP B 72 -1.350 -7.917 -16.721 1.00 2.11 O ATOM 0 H ASP B 72 -0.566 -5.082 -13.200 1.00 1.58 H new ATOM 0 HA ASP B 72 -3.163 -5.284 -14.494 1.00 1.72 H new ATOM 0 HB2 ASP B 72 -1.196 -4.915 -15.862 1.00 1.80 H new ATOM 0 HB3 ASP B 72 -0.365 -6.278 -15.138 1.00 1.80 H new ATOM 2162 N GLY B 73 -1.716 -7.816 -12.964 1.00 1.66 N ATOM 2163 CA GLY B 73 -1.967 -9.141 -12.424 1.00 1.69 C ATOM 2164 C GLY B 73 -2.870 -9.103 -11.205 1.00 1.70 C ATOM 2165 O GLY B 73 -3.494 -10.106 -10.855 1.00 1.76 O ATOM 0 H GLY B 73 -0.809 -7.419 -12.717 1.00 1.66 H new ATOM 0 HA2 GLY B 73 -2.424 -9.764 -13.193 1.00 1.69 H new ATOM 0 HA3 GLY B 73 -1.019 -9.608 -12.157 1.00 1.69 H new ATOM 2169 N GLY B 74 -2.940 -7.937 -10.560 1.00 1.68 N ATOM 2170 CA GLY B 74 -3.775 -7.780 -9.381 1.00 1.74 C ATOM 2171 C GLY B 74 -5.245 -7.633 -9.727 1.00 1.83 C ATOM 2172 O GLY B 74 -6.115 -7.994 -8.934 1.00 2.04 O ATOM 0 H GLY B 74 -2.431 -7.097 -10.836 1.00 1.68 H new ATOM 0 HA2 GLY B 74 -3.643 -8.643 -8.728 1.00 1.74 H new ATOM 0 HA3 GLY B 74 -3.447 -6.904 -8.821 1.00 1.74 H new ATOM 2176 N ASN B 75 -5.519 -7.101 -10.917 1.00 1.81 N ATOM 2177 CA ASN B 75 -6.890 -6.911 -11.381 1.00 1.91 C ATOM 2178 C ASN B 75 -7.444 -8.209 -11.967 1.00 1.93 C ATOM 2179 O ASN B 75 -8.658 -8.384 -12.084 1.00 2.00 O ATOM 2180 CB ASN B 75 -6.938 -5.795 -12.431 1.00 1.98 C ATOM 2181 CG ASN B 75 -8.341 -5.264 -12.663 1.00 2.16 C ATOM 2182 OD1 ASN B 75 -8.804 -4.372 -11.955 1.00 2.32 O ATOM 2183 ND2 ASN B 75 -9.022 -5.805 -13.667 1.00 2.27 N ATOM 0 H ASN B 75 -4.806 -6.793 -11.579 1.00 1.81 H new ATOM 0 HA ASN B 75 -7.508 -6.626 -10.530 1.00 1.91 H new ATOM 0 HB2 ASN B 75 -6.293 -4.976 -12.114 1.00 1.98 H new ATOM 0 HB3 ASN B 75 -6.537 -6.171 -13.372 1.00 1.98 H new ATOM 0 HD21 ASN B 75 -9.967 -5.482 -13.875 1.00 2.27 H new ATOM 0 HD22 ASN B 75 -8.600 -6.543 -14.230 1.00 2.27 H new ATOM 2190 N LYS B 76 -6.540 -9.120 -12.324 1.00 1.93 N ATOM 2191 CA LYS B 76 -6.925 -10.408 -12.894 1.00 1.99 C ATOM 2192 C LYS B 76 -7.454 -11.345 -11.806 1.00 1.96 C ATOM 2193 O LYS B 76 -8.185 -12.294 -12.093 1.00 2.06 O ATOM 2194 CB LYS B 76 -5.723 -11.038 -13.612 1.00 2.03 C ATOM 2195 CG LYS B 76 -6.042 -12.335 -14.345 1.00 2.17 C ATOM 2196 CD LYS B 76 -6.990 -12.107 -15.513 1.00 2.29 C ATOM 2197 CE LYS B 76 -7.520 -13.422 -16.064 1.00 2.46 C ATOM 2198 NZ LYS B 76 -8.367 -14.136 -15.068 1.00 2.45 N ATOM 0 H LYS B 76 -5.533 -8.988 -12.228 1.00 1.93 H new ATOM 0 HA LYS B 76 -7.725 -10.248 -13.617 1.00 1.99 H new ATOM 0 HB2 LYS B 76 -5.323 -10.319 -14.327 1.00 2.03 H new ATOM 0 HB3 LYS B 76 -4.938 -11.231 -12.881 1.00 2.03 H new ATOM 0 HG2 LYS B 76 -5.118 -12.783 -14.710 1.00 2.17 H new ATOM 0 HG3 LYS B 76 -6.488 -13.046 -13.649 1.00 2.17 H new ATOM 0 HD2 LYS B 76 -7.824 -11.484 -15.190 1.00 2.29 H new ATOM 0 HD3 LYS B 76 -6.472 -11.562 -16.303 1.00 2.29 H new ATOM 0 HE2 LYS B 76 -8.102 -13.231 -16.966 1.00 2.46 H new ATOM 0 HE3 LYS B 76 -6.684 -14.059 -16.353 1.00 2.46 H new ATOM 0 HZ1 LYS B 76 -8.972 -14.825 -15.558 1.00 2.45 H new ATOM 0 HZ2 LYS B 76 -7.758 -14.633 -14.387 1.00 2.45 H new ATOM 0 HZ3 LYS B 76 -8.963 -13.449 -14.563 1.00 2.45 H new ATOM 2212 N GLU B 77 -7.082 -11.065 -10.555 1.00 1.88 N ATOM 2213 CA GLU B 77 -7.523 -11.868 -9.417 1.00 1.89 C ATOM 2214 C GLU B 77 -9.007 -11.624 -9.148 1.00 1.97 C ATOM 2215 O GLU B 77 -9.391 -10.575 -8.627 1.00 1.98 O ATOM 2216 CB GLU B 77 -6.686 -11.518 -8.178 1.00 1.86 C ATOM 2217 CG GLU B 77 -6.655 -12.603 -7.109 1.00 1.94 C ATOM 2218 CD GLU B 77 -7.851 -12.554 -6.175 1.00 2.35 C ATOM 2219 OE1 GLU B 77 -7.924 -11.617 -5.349 1.00 2.65 O ATOM 2220 OE2 GLU B 77 -8.709 -13.456 -6.261 1.00 2.78 O ATOM 0 H GLU B 77 -6.474 -10.285 -10.306 1.00 1.88 H new ATOM 0 HA GLU B 77 -7.383 -12.924 -9.647 1.00 1.89 H new ATOM 0 HB2 GLU B 77 -5.664 -11.307 -8.493 1.00 1.86 H new ATOM 0 HB3 GLU B 77 -7.079 -10.602 -7.737 1.00 1.86 H new ATOM 0 HG2 GLU B 77 -6.619 -13.579 -7.592 1.00 1.94 H new ATOM 0 HG3 GLU B 77 -5.741 -12.502 -6.524 1.00 1.94 H new ATOM 2227 N ASN B 78 -9.838 -12.596 -9.518 1.00 2.10 N ATOM 2228 CA ASN B 78 -11.282 -12.485 -9.331 1.00 2.25 C ATOM 2229 C ASN B 78 -11.791 -13.540 -8.354 1.00 2.37 C ATOM 2230 O ASN B 78 -11.868 -14.724 -8.747 1.00 2.48 O ATOM 2231 CB ASN B 78 -12.009 -12.620 -10.675 1.00 2.40 C ATOM 2232 CG ASN B 78 -11.648 -11.518 -11.656 1.00 2.36 C ATOM 2233 OD1 ASN B 78 -11.564 -11.748 -12.862 1.00 2.45 O ATOM 2234 ND2 ASN B 78 -11.437 -10.309 -11.145 1.00 2.29 N ATOM 2235 OXT ASN B 78 -12.117 -13.173 -7.205 1.00 2.38 O ATOM 0 H ASN B 78 -9.536 -13.469 -9.949 1.00 2.10 H new ATOM 0 HA ASN B 78 -11.491 -11.500 -8.912 1.00 2.25 H new ATOM 0 HB2 ASN B 78 -11.768 -13.587 -11.117 1.00 2.40 H new ATOM 0 HB3 ASN B 78 -13.085 -12.608 -10.503 1.00 2.40 H new ATOM 0 HD21 ASN B 78 -11.196 -9.531 -11.759 1.00 2.29 H new ATOM 0 HD22 ASN B 78 -11.516 -10.159 -10.139 1.00 2.29 H new TER 2242 ASN B 78