USER MOD reduce.3.24.130724 H: found=0, std=0, add=930, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 933 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 37 ASN : amide:sc= 1 K(o=2.8,f=-4.2!) USER MOD Set 1.2: C 111 LYS NZ :NH3+ 151:sc= 1.78 (180deg=0.69) USER MOD Set 2.1: B 71 LYS NZ :NH3+ 143:sc= 1.6! (180deg=0.576) USER MOD Set 2.2: C 117 ASN : amide:sc= 1.08 K(o=2.7,f=-4.8!) USER MOD Set 3.1: B 58 GLN : amide:sc= 0.317 K(o=0.73,f=-1.4) USER MOD Set 3.2: C 103 GLN : amide:sc= 0.41 K(o=0.73,f=-1.4!) USER MOD Set 4.1: A 31 LYS NZ :NH3+ 155:sc= 1.68 (180deg=0.538) USER MOD Set 4.2: B 77 ASN : amide:sc= 0.896 K(o=2.6,f=-4.1) USER MOD Set 5.1: A 23 GLN : amide:sc= 0.389 K(o=0.73,f=-1.5!) USER MOD Set 5.2: C 98 GLN : amide:sc= 0.341 K(o=0.73,f=-1.5) USER MOD Set 6.1: A 18 GLN : amide:sc= 0.301 K(o=0.66,f=-1.4) USER MOD Set 6.2: B 63 GLN : amide:sc= 0.356 K(o=0.66,f=-1.4!) USER MOD Single : A 1 GLY N :NH3+ -170:sc= 1.31 (180deg=1.11) USER MOD Single : A 7 SER OG : rot 77:sc= 1.29 USER MOD Single : A 10 GLN : amide:sc= -0.8 X(o=-0.8,f=-0.8) USER MOD Single : A 11 GLN : amide:sc= 0.619 K(o=0.62,f=-5.2!) USER MOD Single : A 16 GLN :FLIP amide:sc= -1.35 F(o=-4.9!,f=-1.4) USER MOD Single : A 20 GLN :FLIP amide:sc= -0.594 F(o=-2.9!,f=-0.59) USER MOD Single : A 21 HIS : no HD1:sc= -2.9 K(o=-2.9,f=-6.7!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.559 K(o=-0.56,f=-2.9!) USER MOD Single : A 29 TYR OH : rot 60:sc= -0.554! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 SER OG : rot 71:sc= 1.3 USER MOD Single : B 50 GLN : amide:sc= -0.851 X(o=-0.85,f=-0.85) USER MOD Single : B 51 GLN : amide:sc= 0.725 K(o=0.72,f=-5.1!) USER MOD Single : B 56 GLN :FLIP amide:sc= -0.978 F(o=-4.1!,f=-0.98) USER MOD Single : B 60 GLN :FLIP amide:sc= -0.721 F(o=-3.1!,f=-0.72) USER MOD Single : B 61 HIS : no HD1:sc= -3.1! C(o=-3.1!,f=-7!) USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD Single : B 68 GLN : amide:sc= -0.576 K(o=-0.58,f=-3!) USER MOD Single : B 69 TYR OH : rot 61:sc= -0.407! USER MOD Single : B 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 87 SER OG : rot 83:sc= 1.24 USER MOD Single : C 90 GLN : amide:sc= -1.04 X(o=-1,f=-1) USER MOD Single : C 91 GLN : amide:sc= 0.727 K(o=0.73,f=-5.1!) USER MOD Single : C 96 GLN :FLIP amide:sc= -1.13 F(o=-4.6!,f=-1.1) USER MOD Single : C 100 GLN :FLIP amide:sc= -1.06 F(o=-4.1!,f=-1.1) USER MOD Single : C 101 HIS : no HD1:sc= -3.6! C(o=-3.6!,f=-7.4!) USER MOD Single : C 107 SER OG : rot 180:sc= 0 USER MOD Single : C 108 GLN : amide:sc= -0.405 K(o=-0.4,f=-2.2!) USER MOD Single : C 109 TYR OH : rot 60:sc= -0.653! USER MOD Single : C 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.330 -28.913 4.893 1.00 0.00 N ATOM 2 CA GLY A 1 -4.745 -29.177 4.529 1.00 0.00 C ATOM 3 C GLY A 1 -5.465 -27.904 4.140 1.00 0.00 C ATOM 4 O GLY A 1 -4.851 -26.838 4.080 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.822 -29.815 4.989 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.881 -28.341 4.150 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.294 -28.398 5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.783 -29.885 3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.257 -29.643 5.371 1.00 0.00 H new ATOM 10 N LEU A 2 -6.771 -28.009 3.882 1.00 0.00 N ATOM 11 CA LEU A 2 -7.576 -26.856 3.505 1.00 0.00 C ATOM 12 C LEU A 2 -7.565 -25.799 4.616 1.00 0.00 C ATOM 13 O LEU A 2 -7.276 -24.639 4.340 1.00 0.00 O ATOM 14 CB LEU A 2 -9.008 -27.301 3.148 1.00 0.00 C ATOM 15 CG LEU A 2 -9.914 -26.239 2.504 1.00 0.00 C ATOM 16 CD1 LEU A 2 -10.488 -25.303 3.555 1.00 0.00 C ATOM 17 CD2 LEU A 2 -9.168 -25.460 1.430 1.00 0.00 C ATOM 0 H LEU A 2 -7.290 -28.886 3.929 1.00 0.00 H new ATOM 0 HA LEU A 2 -7.141 -26.394 2.618 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.942 -28.151 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -9.492 -27.657 4.058 1.00 0.00 H new ATOM 0 HG LEU A 2 -10.745 -26.756 2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -11.125 -24.561 3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -11.077 -25.877 4.271 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -9.674 -24.798 4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.833 -24.716 0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.307 -24.960 1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.828 -26.145 0.653 1.00 0.00 H new ATOM 29 N PRO A 3 -7.909 -26.172 5.881 1.00 0.00 N ATOM 30 CA PRO A 3 -7.945 -25.241 7.006 1.00 0.00 C ATOM 31 C PRO A 3 -6.753 -24.276 7.030 1.00 0.00 C ATOM 32 O PRO A 3 -6.917 -23.079 7.252 1.00 0.00 O ATOM 33 CB PRO A 3 -7.878 -26.153 8.229 1.00 0.00 C ATOM 34 CG PRO A 3 -8.452 -27.455 7.796 1.00 0.00 C ATOM 35 CD PRO A 3 -8.339 -27.514 6.295 1.00 0.00 C ATOM 0 HA PRO A 3 -8.830 -24.607 6.957 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.850 -26.273 8.571 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.444 -25.734 9.061 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -7.914 -28.284 8.255 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.493 -27.539 8.107 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -7.618 -28.270 5.985 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -9.293 -27.778 5.840 1.00 0.00 H new ATOM 43 N ASP A 4 -5.554 -24.822 6.799 1.00 0.00 N ATOM 44 CA ASP A 4 -4.316 -24.032 6.789 1.00 0.00 C ATOM 45 C ASP A 4 -4.356 -22.986 5.684 1.00 0.00 C ATOM 46 O ASP A 4 -3.993 -21.828 5.896 1.00 0.00 O ATOM 47 CB ASP A 4 -3.104 -24.945 6.581 1.00 0.00 C ATOM 48 CG ASP A 4 -3.080 -26.102 7.551 1.00 0.00 C ATOM 49 OD1 ASP A 4 -2.989 -25.852 8.767 1.00 0.00 O ATOM 50 OD2 ASP A 4 -3.165 -27.260 7.099 1.00 0.00 O ATOM 0 H ASP A 4 -5.414 -25.815 6.615 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.228 -23.529 7.752 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -3.114 -25.330 5.561 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -2.190 -24.362 6.693 1.00 0.00 H new ATOM 55 N VAL A 5 -4.814 -23.409 4.513 1.00 0.00 N ATOM 56 CA VAL A 5 -4.935 -22.532 3.359 1.00 0.00 C ATOM 57 C VAL A 5 -5.910 -21.396 3.664 1.00 0.00 C ATOM 58 O VAL A 5 -5.618 -20.224 3.417 1.00 0.00 O ATOM 59 CB VAL A 5 -5.435 -23.318 2.124 1.00 0.00 C ATOM 60 CG1 VAL A 5 -5.489 -22.435 0.891 1.00 0.00 C ATOM 61 CG2 VAL A 5 -4.552 -24.526 1.869 1.00 0.00 C ATOM 0 H VAL A 5 -5.111 -24.369 4.338 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.950 -22.120 3.141 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.448 -23.661 2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.844 -23.018 0.041 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.169 -21.602 1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.492 -22.050 0.675 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.919 -25.067 0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.529 -24.197 1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.574 -25.183 2.739 1.00 0.00 H new ATOM 71 N ALA A 6 -7.065 -21.754 4.223 1.00 0.00 N ATOM 72 CA ALA A 6 -8.081 -20.771 4.578 1.00 0.00 C ATOM 73 C ALA A 6 -7.606 -19.869 5.710 1.00 0.00 C ATOM 74 O ALA A 6 -8.063 -18.735 5.840 1.00 0.00 O ATOM 75 CB ALA A 6 -9.387 -21.451 4.948 1.00 0.00 C ATOM 0 H ALA A 6 -7.318 -22.718 4.439 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.256 -20.146 3.702 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.129 -20.696 5.209 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.746 -22.035 4.101 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.225 -22.111 5.801 1.00 0.00 H new ATOM 81 N SER A 7 -6.665 -20.358 6.509 1.00 0.00 N ATOM 82 CA SER A 7 -6.113 -19.565 7.601 1.00 0.00 C ATOM 83 C SER A 7 -5.305 -18.411 7.021 1.00 0.00 C ATOM 84 O SER A 7 -5.207 -17.325 7.608 1.00 0.00 O ATOM 85 CB SER A 7 -5.235 -20.430 8.509 1.00 0.00 C ATOM 86 OG SER A 7 -5.995 -21.446 9.146 1.00 0.00 O ATOM 0 H SER A 7 -6.270 -21.294 6.422 1.00 0.00 H new ATOM 0 HA SER A 7 -6.930 -19.169 8.205 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.437 -20.884 7.921 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.759 -19.803 9.263 1.00 0.00 H new ATOM 0 HG SER A 7 -6.173 -22.169 8.509 1.00 0.00 H new ATOM 92 N LEU A 8 -4.755 -18.637 5.841 1.00 0.00 N ATOM 93 CA LEU A 8 -3.990 -17.613 5.174 1.00 0.00 C ATOM 94 C LEU A 8 -4.923 -16.566 4.576 1.00 0.00 C ATOM 95 O LEU A 8 -4.523 -15.428 4.362 1.00 0.00 O ATOM 96 CB LEU A 8 -3.084 -18.231 4.105 1.00 0.00 C ATOM 97 CG LEU A 8 -2.269 -17.230 3.284 1.00 0.00 C ATOM 98 CD1 LEU A 8 -1.416 -16.361 4.189 1.00 0.00 C ATOM 99 CD2 LEU A 8 -1.392 -17.959 2.277 1.00 0.00 C ATOM 0 H LEU A 8 -4.826 -19.518 5.332 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.350 -17.117 5.903 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.396 -18.924 4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.700 -18.818 3.424 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.964 -16.587 2.744 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.845 -15.657 3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.059 -15.811 4.877 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.731 -16.990 4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.819 -17.233 1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.709 -18.625 2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.019 -18.543 1.603 1.00 0.00 H new ATOM 111 N ARG A 9 -6.173 -16.950 4.341 1.00 0.00 N ATOM 112 CA ARG A 9 -7.165 -16.021 3.806 1.00 0.00 C ATOM 113 C ARG A 9 -7.433 -14.931 4.834 1.00 0.00 C ATOM 114 O ARG A 9 -7.616 -13.768 4.487 1.00 0.00 O ATOM 115 CB ARG A 9 -8.492 -16.721 3.487 1.00 0.00 C ATOM 116 CG ARG A 9 -8.357 -18.035 2.746 1.00 0.00 C ATOM 117 CD ARG A 9 -7.775 -17.847 1.358 1.00 0.00 C ATOM 118 NE ARG A 9 -8.568 -16.931 0.526 1.00 0.00 N ATOM 119 CZ ARG A 9 -9.775 -17.218 0.016 1.00 0.00 C ATOM 120 NH1 ARG A 9 -10.319 -18.409 0.227 1.00 0.00 N ATOM 121 NH2 ARG A 9 -10.417 -16.319 -0.718 1.00 0.00 N ATOM 0 H ARG A 9 -6.523 -17.893 4.511 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.764 -15.604 2.882 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.025 -16.900 4.421 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.108 -16.047 2.892 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.720 -18.710 3.318 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.335 -18.509 2.668 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.758 -17.464 1.444 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.709 -18.816 0.862 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.173 -16.013 0.322 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.820 -19.108 0.777 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.237 -18.626 -0.161 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.993 -15.408 -0.895 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.335 -16.538 -1.105 1.00 0.00 H new ATOM 135 N GLN A 10 -7.443 -15.338 6.104 1.00 0.00 N ATOM 136 CA GLN A 10 -7.675 -14.421 7.215 1.00 0.00 C ATOM 137 C GLN A 10 -6.511 -13.448 7.327 1.00 0.00 C ATOM 138 O GLN A 10 -6.708 -12.246 7.496 1.00 0.00 O ATOM 139 CB GLN A 10 -7.840 -15.194 8.526 1.00 0.00 C ATOM 140 CG GLN A 10 -7.963 -16.695 8.339 1.00 0.00 C ATOM 141 CD GLN A 10 -8.164 -17.431 9.643 1.00 0.00 C ATOM 142 OE1 GLN A 10 -7.331 -17.351 10.550 1.00 0.00 O ATOM 143 NE2 GLN A 10 -9.271 -18.148 9.752 1.00 0.00 N ATOM 0 H GLN A 10 -7.291 -16.306 6.388 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.593 -13.865 7.025 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -6.985 -14.986 9.170 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.726 -14.828 9.044 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -8.801 -16.907 7.674 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -7.065 -17.071 7.849 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -9.933 -18.186 8.977 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.463 -18.663 10.611 1.00 0.00 H new ATOM 152 N GLN A 11 -5.290 -13.972 7.207 1.00 0.00 N ATOM 153 CA GLN A 11 -4.095 -13.129 7.269 1.00 0.00 C ATOM 154 C GLN A 11 -4.098 -12.147 6.096 1.00 0.00 C ATOM 155 O GLN A 11 -3.603 -11.024 6.187 1.00 0.00 O ATOM 156 CB GLN A 11 -2.830 -13.992 7.217 1.00 0.00 C ATOM 157 CG GLN A 11 -1.555 -13.236 7.550 1.00 0.00 C ATOM 158 CD GLN A 11 -0.317 -14.072 7.311 1.00 0.00 C ATOM 159 OE1 GLN A 11 -0.225 -15.212 7.764 1.00 0.00 O ATOM 160 NE2 GLN A 11 0.646 -13.509 6.603 1.00 0.00 N ATOM 0 H GLN A 11 -5.103 -14.965 7.068 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.103 -12.575 8.208 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.940 -14.823 7.913 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.736 -14.422 6.220 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.503 -12.331 6.945 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.583 -12.921 8.593 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.529 -12.561 6.246 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.507 -14.023 6.414 1.00 0.00 H new ATOM 169 N VAL A 12 -4.677 -12.598 5.001 1.00 0.00 N ATOM 170 CA VAL A 12 -4.790 -11.825 3.780 1.00 0.00 C ATOM 171 C VAL A 12 -5.824 -10.710 3.938 1.00 0.00 C ATOM 172 O VAL A 12 -5.698 -9.653 3.325 1.00 0.00 O ATOM 173 CB VAL A 12 -5.144 -12.795 2.617 1.00 0.00 C ATOM 174 CG1 VAL A 12 -6.155 -12.234 1.639 1.00 0.00 C ATOM 175 CG2 VAL A 12 -3.892 -13.294 1.912 1.00 0.00 C ATOM 0 H VAL A 12 -5.089 -13.528 4.934 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.843 -11.335 3.553 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.636 -13.650 3.081 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.351 -12.968 0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.083 -12.008 2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.760 -11.322 1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.174 -13.970 1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.344 -12.446 1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.260 -13.824 2.625 1.00 0.00 H new ATOM 185 N GLU A 13 -6.823 -10.932 4.792 1.00 0.00 N ATOM 186 CA GLU A 13 -7.839 -9.916 5.052 1.00 0.00 C ATOM 187 C GLU A 13 -7.195 -8.753 5.793 1.00 0.00 C ATOM 188 O GLU A 13 -7.590 -7.596 5.650 1.00 0.00 O ATOM 189 CB GLU A 13 -8.997 -10.501 5.867 1.00 0.00 C ATOM 190 CG GLU A 13 -9.716 -11.645 5.170 1.00 0.00 C ATOM 191 CD GLU A 13 -10.865 -12.189 5.981 1.00 0.00 C ATOM 192 OE1 GLU A 13 -10.640 -12.605 7.131 1.00 0.00 O ATOM 193 OE2 GLU A 13 -11.998 -12.201 5.467 1.00 0.00 O ATOM 0 H GLU A 13 -6.949 -11.801 5.312 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.248 -9.563 4.105 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.614 -10.854 6.825 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.715 -9.709 6.082 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.088 -11.301 4.205 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.006 -12.447 4.970 1.00 0.00 H new ATOM 200 N ALA A 14 -6.166 -9.087 6.556 1.00 0.00 N ATOM 201 CA ALA A 14 -5.397 -8.115 7.305 1.00 0.00 C ATOM 202 C ALA A 14 -4.616 -7.221 6.361 1.00 0.00 C ATOM 203 O ALA A 14 -4.719 -5.993 6.404 1.00 0.00 O ATOM 204 CB ALA A 14 -4.428 -8.845 8.200 1.00 0.00 C ATOM 0 H ALA A 14 -5.842 -10.047 6.671 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.076 -7.501 7.897 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.843 -8.122 8.769 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.980 -9.487 8.887 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.759 -9.454 7.592 1.00 0.00 H new ATOM 210 N LEU A 15 -3.821 -7.867 5.513 1.00 0.00 N ATOM 211 CA LEU A 15 -2.987 -7.176 4.539 1.00 0.00 C ATOM 212 C LEU A 15 -3.817 -6.332 3.580 1.00 0.00 C ATOM 213 O LEU A 15 -3.404 -5.241 3.185 1.00 0.00 O ATOM 214 CB LEU A 15 -2.148 -8.185 3.747 1.00 0.00 C ATOM 215 CG LEU A 15 -0.780 -8.512 4.350 1.00 0.00 C ATOM 216 CD1 LEU A 15 -0.021 -7.236 4.655 1.00 0.00 C ATOM 217 CD2 LEU A 15 -0.915 -9.345 5.608 1.00 0.00 C ATOM 0 H LEU A 15 -3.738 -8.883 5.483 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.328 -6.507 5.091 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.716 -9.111 3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.000 -7.798 2.739 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.224 -9.095 3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.950 -7.484 5.083 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.122 -6.669 3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.589 -6.636 5.366 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.075 -9.559 6.010 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.496 -8.795 6.348 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.421 -10.281 5.372 1.00 0.00 H new ATOM 229 N GLN A 16 -4.992 -6.830 3.206 1.00 0.00 N ATOM 230 CA GLN A 16 -5.852 -6.092 2.290 1.00 0.00 C ATOM 231 C GLN A 16 -6.518 -4.935 3.014 1.00 0.00 C ATOM 232 O GLN A 16 -6.832 -3.916 2.404 1.00 0.00 O ATOM 233 CB GLN A 16 -6.899 -6.994 1.617 1.00 0.00 C ATOM 234 CG GLN A 16 -7.980 -7.523 2.540 1.00 0.00 C ATOM 235 CD GLN A 16 -9.033 -8.310 1.793 1.00 0.00 C ATOM 236 OE1 GLN A 16 -9.206 -9.576 2.151 1.00 0.00 O flip ATOM 237 NE2 GLN A 16 -9.686 -7.788 0.890 1.00 0.00 N flip ATOM 0 H GLN A 16 -5.365 -7.727 3.518 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.221 -5.697 1.494 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.373 -6.435 0.810 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.387 -7.841 1.160 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.527 -8.157 3.302 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -8.452 -6.689 3.059 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.525 -6.812 0.643 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.388 -8.332 0.389 1.00 0.00 H new ATOM 246 N GLY A 17 -6.695 -5.073 4.320 1.00 0.00 N ATOM 247 CA GLY A 17 -7.280 -4.000 5.093 1.00 0.00 C ATOM 248 C GLY A 17 -6.332 -2.823 5.162 1.00 0.00 C ATOM 249 O GLY A 17 -6.748 -1.661 5.172 1.00 0.00 O ATOM 0 H GLY A 17 -6.445 -5.905 4.855 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.223 -3.690 4.642 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.508 -4.351 6.099 1.00 0.00 H new ATOM 253 N GLN A 18 -5.042 -3.131 5.185 1.00 0.00 N ATOM 254 CA GLN A 18 -4.021 -2.104 5.235 1.00 0.00 C ATOM 255 C GLN A 18 -3.940 -1.357 3.913 1.00 0.00 C ATOM 256 O GLN A 18 -3.906 -0.137 3.886 1.00 0.00 O ATOM 257 CB GLN A 18 -2.650 -2.713 5.555 1.00 0.00 C ATOM 258 CG GLN A 18 -2.621 -3.545 6.826 1.00 0.00 C ATOM 259 CD GLN A 18 -3.038 -2.754 8.047 1.00 0.00 C ATOM 260 OE1 GLN A 18 -2.446 -1.723 8.365 1.00 0.00 O ATOM 261 NE2 GLN A 18 -4.064 -3.232 8.735 1.00 0.00 N ATOM 0 H GLN A 18 -4.682 -4.085 5.170 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.297 -1.406 6.025 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.338 -3.337 4.718 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -1.919 -1.909 5.643 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.283 -4.403 6.710 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -1.615 -3.937 6.977 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.524 -4.091 8.434 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.394 -2.741 9.566 1.00 0.00 H new ATOM 270 N VAL A 19 -3.881 -2.087 2.821 1.00 0.00 N ATOM 271 CA VAL A 19 -3.765 -1.463 1.516 1.00 0.00 C ATOM 272 C VAL A 19 -5.026 -0.682 1.130 1.00 0.00 C ATOM 273 O VAL A 19 -4.929 0.363 0.485 1.00 0.00 O ATOM 274 CB VAL A 19 -3.372 -2.518 0.453 1.00 0.00 C ATOM 275 CG1 VAL A 19 -4.333 -3.686 0.430 1.00 0.00 C ATOM 276 CG2 VAL A 19 -3.195 -1.923 -0.928 1.00 0.00 C ATOM 0 H VAL A 19 -3.911 -3.106 2.807 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.967 -0.723 1.564 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.397 -2.899 0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.019 -4.401 -0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.338 -4.172 1.406 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.336 -3.327 0.198 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.920 -2.710 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.129 -1.461 -1.248 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.408 -1.169 -0.901 1.00 0.00 H new ATOM 286 N GLN A 20 -6.196 -1.160 1.544 1.00 0.00 N ATOM 287 CA GLN A 20 -7.441 -0.454 1.235 1.00 0.00 C ATOM 288 C GLN A 20 -7.498 0.890 1.953 1.00 0.00 C ATOM 289 O GLN A 20 -7.846 1.901 1.348 1.00 0.00 O ATOM 290 CB GLN A 20 -8.688 -1.279 1.586 1.00 0.00 C ATOM 291 CG GLN A 20 -8.807 -1.655 3.053 1.00 0.00 C ATOM 292 CD GLN A 20 -10.213 -2.080 3.427 1.00 0.00 C ATOM 293 OE1 GLN A 20 -10.366 -3.330 3.841 1.00 0.00 O flip ATOM 294 NE2 GLN A 20 -11.157 -1.296 3.338 1.00 0.00 N flip ATOM 0 H GLN A 20 -6.311 -2.017 2.085 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.442 -0.291 0.157 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.574 -0.714 1.297 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -8.683 -2.192 0.990 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -8.114 -2.466 3.275 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -8.511 -0.805 3.668 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.999 -0.342 3.015 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.098 -1.600 3.587 1.00 0.00 H new ATOM 303 N HIS A 21 -7.154 0.915 3.246 1.00 0.00 N ATOM 304 CA HIS A 21 -7.193 2.173 3.980 1.00 0.00 C ATOM 305 C HIS A 21 -6.015 3.060 3.581 1.00 0.00 C ATOM 306 O HIS A 21 -6.048 4.272 3.787 1.00 0.00 O ATOM 307 CB HIS A 21 -7.268 1.967 5.500 1.00 0.00 C ATOM 308 CG HIS A 21 -5.958 1.845 6.172 1.00 0.00 C ATOM 309 ND1 HIS A 21 -5.184 0.742 6.057 1.00 0.00 N ATOM 310 CD2 HIS A 21 -5.269 2.724 6.936 1.00 0.00 C ATOM 311 CE1 HIS A 21 -4.065 0.955 6.727 1.00 0.00 C ATOM 312 NE2 HIS A 21 -4.055 2.146 7.292 1.00 0.00 N ATOM 0 H HIS A 21 -6.855 0.103 3.787 1.00 0.00 H new ATOM 0 HA HIS A 21 -8.114 2.686 3.704 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -7.810 2.804 5.940 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -7.850 1.068 5.703 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -5.606 3.710 7.222 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -3.258 0.241 6.802 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -3.317 2.555 7.866 1.00 0.00 H new ATOM 320 N LEU A 22 -4.991 2.468 2.963 1.00 0.00 N ATOM 321 CA LEU A 22 -3.858 3.255 2.489 1.00 0.00 C ATOM 322 C LEU A 22 -4.305 4.054 1.286 1.00 0.00 C ATOM 323 O LEU A 22 -3.930 5.208 1.122 1.00 0.00 O ATOM 324 CB LEU A 22 -2.664 2.383 2.104 1.00 0.00 C ATOM 325 CG LEU A 22 -1.887 1.793 3.276 1.00 0.00 C ATOM 326 CD1 LEU A 22 -0.554 1.243 2.811 1.00 0.00 C ATOM 327 CD2 LEU A 22 -1.689 2.835 4.360 1.00 0.00 C ATOM 0 H LEU A 22 -4.925 1.466 2.783 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.532 3.907 3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.019 1.566 1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.980 2.978 1.498 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.467 0.970 3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.015 0.827 3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.721 0.461 2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.035 2.045 2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.133 2.397 5.189 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.132 3.680 3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.660 3.178 4.716 1.00 0.00 H new ATOM 339 N GLN A 23 -5.144 3.431 0.462 1.00 0.00 N ATOM 340 CA GLN A 23 -5.685 4.094 -0.711 1.00 0.00 C ATOM 341 C GLN A 23 -6.677 5.148 -0.250 1.00 0.00 C ATOM 342 O GLN A 23 -6.848 6.188 -0.884 1.00 0.00 O ATOM 343 CB GLN A 23 -6.385 3.091 -1.631 1.00 0.00 C ATOM 344 CG GLN A 23 -5.491 1.962 -2.118 1.00 0.00 C ATOM 345 CD GLN A 23 -6.252 0.904 -2.889 1.00 0.00 C ATOM 346 OE1 GLN A 23 -7.100 0.204 -2.333 1.00 0.00 O ATOM 347 NE2 GLN A 23 -5.959 0.782 -4.175 1.00 0.00 N ATOM 0 H GLN A 23 -5.461 2.470 0.589 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.872 4.554 -1.273 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.236 2.663 -1.102 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.782 3.624 -2.495 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.706 2.374 -2.752 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -4.999 1.499 -1.263 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.250 1.382 -4.596 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.443 0.088 -4.745 1.00 0.00 H new ATOM 356 N ALA A 24 -7.308 4.861 0.886 1.00 0.00 N ATOM 357 CA ALA A 24 -8.270 5.764 1.497 1.00 0.00 C ATOM 358 C ALA A 24 -7.610 7.101 1.761 1.00 0.00 C ATOM 359 O ALA A 24 -8.031 8.132 1.237 1.00 0.00 O ATOM 360 CB ALA A 24 -8.781 5.169 2.800 1.00 0.00 C ATOM 0 H ALA A 24 -7.164 3.995 1.406 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.113 5.907 0.821 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.501 5.850 3.253 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.263 4.212 2.599 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.945 5.018 3.483 1.00 0.00 H new ATOM 366 N ALA A 25 -6.550 7.063 2.558 1.00 0.00 N ATOM 367 CA ALA A 25 -5.795 8.258 2.885 1.00 0.00 C ATOM 368 C ALA A 25 -5.203 8.867 1.619 1.00 0.00 C ATOM 369 O ALA A 25 -5.187 10.085 1.448 1.00 0.00 O ATOM 370 CB ALA A 25 -4.698 7.924 3.885 1.00 0.00 C ATOM 0 H ALA A 25 -6.195 6.210 2.991 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.464 8.989 3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.137 8.827 4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.145 7.523 4.795 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.026 7.183 3.453 1.00 0.00 H new ATOM 376 N PHE A 26 -4.730 7.991 0.734 1.00 0.00 N ATOM 377 CA PHE A 26 -4.124 8.380 -0.540 1.00 0.00 C ATOM 378 C PHE A 26 -5.061 9.239 -1.379 1.00 0.00 C ATOM 379 O PHE A 26 -4.603 10.029 -2.194 1.00 0.00 O ATOM 380 CB PHE A 26 -3.735 7.129 -1.332 1.00 0.00 C ATOM 381 CG PHE A 26 -2.293 7.082 -1.746 1.00 0.00 C ATOM 382 CD1 PHE A 26 -1.480 8.204 -1.637 1.00 0.00 C ATOM 383 CD2 PHE A 26 -1.747 5.909 -2.249 1.00 0.00 C ATOM 384 CE1 PHE A 26 -0.160 8.153 -2.025 1.00 0.00 C ATOM 385 CE2 PHE A 26 -0.423 5.859 -2.638 1.00 0.00 C ATOM 386 CZ PHE A 26 0.370 6.979 -2.523 1.00 0.00 C ATOM 0 H PHE A 26 -4.756 6.982 0.882 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.238 8.973 -0.314 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.956 6.248 -0.729 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.359 7.070 -2.224 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.887 9.124 -1.244 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.364 5.027 -2.337 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.462 9.032 -1.940 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.010 4.942 -3.032 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.407 6.939 -2.822 1.00 0.00 H new ATOM 396 N SER A 27 -6.366 9.085 -1.185 1.00 0.00 N ATOM 397 CA SER A 27 -7.347 9.860 -1.939 1.00 0.00 C ATOM 398 C SER A 27 -7.145 11.361 -1.713 1.00 0.00 C ATOM 399 O SER A 27 -7.451 12.180 -2.581 1.00 0.00 O ATOM 400 CB SER A 27 -8.767 9.443 -1.540 1.00 0.00 C ATOM 401 OG SER A 27 -9.747 10.063 -2.363 1.00 0.00 O ATOM 0 H SER A 27 -6.770 8.432 -0.513 1.00 0.00 H new ATOM 0 HA SER A 27 -7.206 9.656 -3.001 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.862 8.360 -1.613 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.945 9.709 -0.498 1.00 0.00 H new ATOM 0 HG SER A 27 -10.640 9.774 -2.082 1.00 0.00 H new ATOM 407 N GLN A 28 -6.612 11.714 -0.549 1.00 0.00 N ATOM 408 CA GLN A 28 -6.354 13.112 -0.213 1.00 0.00 C ATOM 409 C GLN A 28 -4.961 13.530 -0.661 1.00 0.00 C ATOM 410 O GLN A 28 -4.739 14.674 -1.048 1.00 0.00 O ATOM 411 CB GLN A 28 -6.496 13.337 1.296 1.00 0.00 C ATOM 412 CG GLN A 28 -7.887 13.053 1.839 1.00 0.00 C ATOM 413 CD GLN A 28 -8.917 14.062 1.378 1.00 0.00 C ATOM 414 OE1 GLN A 28 -9.191 14.186 0.187 1.00 0.00 O ATOM 415 NE2 GLN A 28 -9.483 14.801 2.320 1.00 0.00 N ATOM 0 H GLN A 28 -6.349 11.051 0.180 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.090 13.722 -0.737 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.778 12.702 1.816 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.233 14.370 1.525 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.197 12.056 1.526 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.852 13.049 2.928 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.226 14.665 3.298 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.176 15.506 2.068 1.00 0.00 H new ATOM 424 N TYR A 29 -4.025 12.598 -0.600 1.00 0.00 N ATOM 425 CA TYR A 29 -2.644 12.865 -0.992 1.00 0.00 C ATOM 426 C TYR A 29 -2.505 12.848 -2.510 1.00 0.00 C ATOM 427 O TYR A 29 -1.533 13.347 -3.061 1.00 0.00 O ATOM 428 CB TYR A 29 -1.730 11.819 -0.369 1.00 0.00 C ATOM 429 CG TYR A 29 -1.952 11.682 1.116 1.00 0.00 C ATOM 430 CD1 TYR A 29 -1.898 12.789 1.943 1.00 0.00 C ATOM 431 CD2 TYR A 29 -2.252 10.455 1.686 1.00 0.00 C ATOM 432 CE1 TYR A 29 -2.130 12.678 3.293 1.00 0.00 C ATOM 433 CE2 TYR A 29 -2.494 10.338 3.040 1.00 0.00 C ATOM 434 CZ TYR A 29 -2.431 11.453 3.836 1.00 0.00 C ATOM 435 OH TYR A 29 -2.685 11.345 5.179 1.00 0.00 O ATOM 0 H TYR A 29 -4.194 11.644 -0.282 1.00 0.00 H new ATOM 0 HA TYR A 29 -2.359 13.854 -0.635 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.901 10.856 -0.851 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.691 12.089 -0.556 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.670 13.757 1.521 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.297 9.576 1.061 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.076 13.552 3.925 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.731 9.376 3.469 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.457 11.903 5.412 1.00 0.00 H new ATOM 445 N LYS A 30 -3.489 12.244 -3.159 1.00 0.00 N ATOM 446 CA LYS A 30 -3.523 12.110 -4.609 1.00 0.00 C ATOM 447 C LYS A 30 -3.405 13.470 -5.295 1.00 0.00 C ATOM 448 O LYS A 30 -2.624 13.636 -6.231 1.00 0.00 O ATOM 449 CB LYS A 30 -4.820 11.398 -5.030 1.00 0.00 C ATOM 450 CG LYS A 30 -4.693 10.538 -6.282 1.00 0.00 C ATOM 451 CD LYS A 30 -4.588 11.375 -7.543 1.00 0.00 C ATOM 452 CE LYS A 30 -4.458 10.502 -8.778 1.00 0.00 C ATOM 453 NZ LYS A 30 -4.540 11.298 -10.026 1.00 0.00 N ATOM 0 H LYS A 30 -4.294 11.829 -2.690 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.668 11.512 -4.923 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.158 10.770 -4.206 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.593 12.148 -5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.812 9.902 -6.196 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.557 9.878 -6.357 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.470 12.009 -7.635 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.725 12.037 -7.471 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.507 9.970 -8.748 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.246 9.749 -8.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.447 10.667 -10.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.457 11.786 -10.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.773 12.000 -10.041 1.00 0.00 H new ATOM 467 N LYS A 31 -4.168 14.451 -4.833 1.00 0.00 N ATOM 468 CA LYS A 31 -4.104 15.776 -5.438 1.00 0.00 C ATOM 469 C LYS A 31 -3.074 16.654 -4.736 1.00 0.00 C ATOM 470 O LYS A 31 -3.270 17.857 -4.559 1.00 0.00 O ATOM 471 CB LYS A 31 -5.479 16.445 -5.465 1.00 0.00 C ATOM 472 CG LYS A 31 -6.075 16.755 -4.103 1.00 0.00 C ATOM 473 CD LYS A 31 -6.662 15.526 -3.427 1.00 0.00 C ATOM 474 CE LYS A 31 -7.349 15.889 -2.117 1.00 0.00 C ATOM 475 NZ LYS A 31 -8.462 16.858 -2.314 1.00 0.00 N ATOM 0 H LYS A 31 -4.825 14.360 -4.058 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.782 15.650 -6.472 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.402 17.374 -6.030 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.169 15.798 -6.007 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.304 17.184 -3.463 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.853 17.510 -4.215 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.378 15.048 -4.095 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.871 14.801 -3.236 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.736 14.984 -1.649 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.617 16.314 -1.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.148 16.762 -1.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.082 17.826 -2.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.935 16.664 -3.220 1.00 0.00 H new ATOM 489 N VAL A 32 -1.975 16.031 -4.339 1.00 0.00 N ATOM 490 CA VAL A 32 -0.892 16.715 -3.647 1.00 0.00 C ATOM 491 C VAL A 32 0.435 16.584 -4.430 1.00 0.00 C ATOM 492 O VAL A 32 1.490 17.045 -3.993 1.00 0.00 O ATOM 493 CB VAL A 32 -0.765 16.142 -2.205 1.00 0.00 C ATOM 494 CG1 VAL A 32 0.363 16.770 -1.410 1.00 0.00 C ATOM 495 CG2 VAL A 32 -2.076 16.337 -1.454 1.00 0.00 C ATOM 0 H VAL A 32 -1.808 15.036 -4.487 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.118 17.779 -3.583 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.534 15.082 -2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.397 16.327 -0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.310 16.592 -1.919 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.194 17.843 -1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.981 15.934 -0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.309 17.400 -1.399 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.877 15.816 -1.979 1.00 0.00 H new ATOM 505 N GLU A 33 0.377 15.965 -5.607 1.00 0.00 N ATOM 506 CA GLU A 33 1.576 15.790 -6.430 1.00 0.00 C ATOM 507 C GLU A 33 1.741 16.901 -7.450 1.00 0.00 C ATOM 508 O GLU A 33 2.864 17.211 -7.854 1.00 0.00 O ATOM 509 CB GLU A 33 1.527 14.454 -7.157 1.00 0.00 C ATOM 510 CG GLU A 33 0.258 14.269 -7.970 1.00 0.00 C ATOM 511 CD GLU A 33 0.329 13.087 -8.905 1.00 0.00 C ATOM 512 OE1 GLU A 33 1.202 13.080 -9.794 1.00 0.00 O ATOM 513 OE2 GLU A 33 -0.497 12.168 -8.759 1.00 0.00 O ATOM 0 H GLU A 33 -0.477 15.579 -6.011 1.00 0.00 H new ATOM 0 HA GLU A 33 2.430 15.820 -5.753 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.390 14.374 -7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.607 13.647 -6.429 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.586 14.140 -7.293 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.068 15.173 -8.548 1.00 0.00 H new ATOM 520 N LEU A 34 0.624 17.496 -7.864 1.00 0.00 N ATOM 521 CA LEU A 34 0.648 18.592 -8.838 1.00 0.00 C ATOM 522 C LEU A 34 1.561 19.712 -8.358 1.00 0.00 C ATOM 523 O LEU A 34 2.135 20.459 -9.152 1.00 0.00 O ATOM 524 CB LEU A 34 -0.749 19.147 -9.136 1.00 0.00 C ATOM 525 CG LEU A 34 -1.815 19.106 -8.032 1.00 0.00 C ATOM 526 CD1 LEU A 34 -2.516 17.757 -7.974 1.00 0.00 C ATOM 527 CD2 LEU A 34 -1.305 19.533 -6.670 1.00 0.00 C ATOM 0 H LEU A 34 -0.309 17.240 -7.542 1.00 0.00 H new ATOM 0 HA LEU A 34 1.037 18.177 -9.768 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.632 20.186 -9.443 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.143 18.604 -9.995 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.554 19.856 -8.314 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.263 17.769 -7.180 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.004 17.559 -8.928 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.784 16.975 -7.772 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.116 19.477 -5.944 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.495 18.872 -6.361 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.936 20.557 -6.724 1.00 0.00 H new ATOM 539 N PHE A 35 1.678 19.785 -7.038 1.00 0.00 N ATOM 540 CA PHE A 35 2.520 20.751 -6.339 1.00 0.00 C ATOM 541 C PHE A 35 3.989 20.673 -6.821 1.00 0.00 C ATOM 542 O PHE A 35 4.327 19.863 -7.686 1.00 0.00 O ATOM 543 CB PHE A 35 2.416 20.483 -4.828 1.00 0.00 C ATOM 544 CG PHE A 35 1.075 20.819 -4.249 1.00 0.00 C ATOM 545 CD1 PHE A 35 0.562 22.101 -4.350 1.00 0.00 C ATOM 546 CD2 PHE A 35 0.327 19.854 -3.606 1.00 0.00 C ATOM 547 CE1 PHE A 35 -0.677 22.413 -3.823 1.00 0.00 C ATOM 548 CE2 PHE A 35 -0.909 20.157 -3.074 1.00 0.00 C ATOM 549 CZ PHE A 35 -1.413 21.437 -3.182 1.00 0.00 C ATOM 0 H PHE A 35 1.178 19.159 -6.407 1.00 0.00 H new ATOM 0 HA PHE A 35 2.173 21.761 -6.558 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.631 19.431 -4.639 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.181 21.063 -4.311 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.138 22.868 -4.847 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.714 18.850 -3.518 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.068 23.416 -3.912 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.483 19.392 -2.572 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.381 21.675 -2.766 1.00 0.00 H new ATOM 559 N PRO A 36 4.888 21.516 -6.276 1.00 0.00 N ATOM 560 CA PRO A 36 6.304 21.531 -6.674 1.00 0.00 C ATOM 561 C PRO A 36 7.064 20.270 -6.277 1.00 0.00 C ATOM 562 O PRO A 36 6.535 19.388 -5.598 1.00 0.00 O ATOM 563 CB PRO A 36 6.873 22.746 -5.943 1.00 0.00 C ATOM 564 CG PRO A 36 5.962 22.964 -4.788 1.00 0.00 C ATOM 565 CD PRO A 36 4.601 22.514 -5.238 1.00 0.00 C ATOM 0 HA PRO A 36 6.403 21.576 -7.759 1.00 0.00 H new ATOM 0 HB2 PRO A 36 7.895 22.563 -5.610 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.901 23.620 -6.594 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.292 22.395 -3.919 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.948 24.014 -4.496 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.030 22.083 -4.416 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.015 23.344 -5.632 1.00 0.00 H new ATOM 573 N ASN A 37 8.312 20.199 -6.716 1.00 0.00 N ATOM 574 CA ASN A 37 9.162 19.053 -6.425 1.00 0.00 C ATOM 575 C ASN A 37 10.180 19.393 -5.357 1.00 0.00 C ATOM 576 O ASN A 37 10.705 20.506 -5.313 1.00 0.00 O ATOM 577 CB ASN A 37 9.899 18.594 -7.688 1.00 0.00 C ATOM 578 CG ASN A 37 8.957 18.195 -8.804 1.00 0.00 C ATOM 579 OD1 ASN A 37 8.140 17.291 -8.647 1.00 0.00 O ATOM 580 ND2 ASN A 37 9.081 18.855 -9.945 1.00 0.00 N ATOM 0 H ASN A 37 8.760 20.924 -7.277 1.00 0.00 H new ATOM 0 HA ASN A 37 8.519 18.249 -6.066 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.548 19.397 -8.036 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.542 17.749 -7.441 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.484 18.619 -10.738 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.773 19.599 -10.031 1.00 0.00 H new ATOM 587 N GLY A 38 10.469 18.423 -4.503 1.00 0.00 N ATOM 588 CA GLY A 38 11.444 18.634 -3.457 1.00 0.00 C ATOM 589 C GLY A 38 12.815 18.148 -3.869 1.00 0.00 C ATOM 590 O GLY A 38 13.737 18.942 -4.045 1.00 0.00 O ATOM 0 H GLY A 38 10.046 17.495 -4.516 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.492 19.695 -3.212 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.128 18.112 -2.554 1.00 0.00 H new ATOM 594 N GLY A 39 12.938 16.840 -4.048 1.00 0.00 N ATOM 595 CA GLY A 39 14.197 16.264 -4.473 1.00 0.00 C ATOM 596 C GLY A 39 14.236 16.128 -5.978 1.00 0.00 C ATOM 597 O GLY A 39 14.851 16.941 -6.666 1.00 0.00 O ATOM 0 H GLY A 39 12.186 16.166 -3.906 1.00 0.00 H new ATOM 0 HA2 GLY A 39 15.023 16.892 -4.137 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.331 15.286 -4.010 1.00 0.00 H new ATOM 601 N ILE A 40 13.546 15.118 -6.492 1.00 0.00 N ATOM 602 CA ILE A 40 13.468 14.891 -7.929 1.00 0.00 C ATOM 603 C ILE A 40 12.007 14.870 -8.360 1.00 0.00 C ATOM 604 O ILE A 40 11.566 15.829 -9.016 1.00 0.00 O ATOM 605 CB ILE A 40 14.138 13.565 -8.371 1.00 0.00 C ATOM 606 CG1 ILE A 40 15.598 13.501 -7.905 1.00 0.00 C ATOM 607 CG2 ILE A 40 14.076 13.417 -9.885 1.00 0.00 C ATOM 608 CD1 ILE A 40 15.775 12.946 -6.509 1.00 0.00 C ATOM 609 OXT ILE A 40 11.312 13.893 -8.026 1.00 0.00 O ATOM 0 H ILE A 40 13.030 14.440 -5.932 1.00 0.00 H new ATOM 0 HA ILE A 40 14.009 15.707 -8.407 1.00 0.00 H new ATOM 0 HB ILE A 40 13.590 12.745 -7.907 1.00 0.00 H new ATOM 0 HG12 ILE A 40 16.165 12.886 -8.604 1.00 0.00 H new ATOM 0 HG13 ILE A 40 16.025 14.503 -7.943 1.00 0.00 H new ATOM 0 HG21 ILE A 40 14.551 12.481 -10.179 1.00 0.00 H new ATOM 0 HG22 ILE A 40 13.035 13.413 -10.208 1.00 0.00 H new ATOM 0 HG23 ILE A 40 14.598 14.251 -10.354 1.00 0.00 H new ATOM 0 HD11 ILE A 40 16.835 12.934 -6.254 1.00 0.00 H new ATOM 0 HD12 ILE A 40 15.238 13.573 -5.797 1.00 0.00 H new ATOM 0 HD13 ILE A 40 15.380 11.931 -6.468 1.00 0.00 H new TER 621 ILE A 40 ATOM 622 N GLY B 41 0.127 -29.441 -1.745 1.00 0.00 N ATOM 623 CA GLY B 41 0.465 -29.882 -0.367 1.00 0.00 C ATOM 624 C GLY B 41 0.723 -28.710 0.552 1.00 0.00 C ATOM 625 O GLY B 41 0.600 -27.554 0.137 1.00 0.00 O ATOM 0 HA2 GLY B 41 -0.352 -30.484 0.032 1.00 0.00 H new ATOM 0 HA3 GLY B 41 1.347 -30.521 -0.396 1.00 0.00 H new ATOM 631 N LEU B 42 1.091 -28.995 1.797 1.00 0.00 N ATOM 632 CA LEU B 42 1.380 -27.952 2.775 1.00 0.00 C ATOM 633 C LEU B 42 2.540 -27.070 2.293 1.00 0.00 C ATOM 634 O LEU B 42 2.401 -25.851 2.275 1.00 0.00 O ATOM 635 CB LEU B 42 1.660 -28.580 4.155 1.00 0.00 C ATOM 636 CG LEU B 42 1.754 -27.610 5.344 1.00 0.00 C ATOM 637 CD1 LEU B 42 3.114 -26.942 5.391 1.00 0.00 C ATOM 638 CD2 LEU B 42 0.640 -26.577 5.292 1.00 0.00 C ATOM 0 H LEU B 42 1.197 -29.945 2.154 1.00 0.00 H new ATOM 0 HA LEU B 42 0.508 -27.306 2.880 1.00 0.00 H new ATOM 0 HB2 LEU B 42 0.873 -29.304 4.367 1.00 0.00 H new ATOM 0 HB3 LEU B 42 2.596 -29.136 4.093 1.00 0.00 H new ATOM 0 HG LEU B 42 1.632 -28.187 6.260 1.00 0.00 H new ATOM 0 HD11 LEU B 42 3.156 -26.261 6.241 1.00 0.00 H new ATOM 0 HD12 LEU B 42 3.889 -27.701 5.497 1.00 0.00 H new ATOM 0 HD13 LEU B 42 3.277 -26.383 4.470 1.00 0.00 H new ATOM 0 HD21 LEU B 42 0.729 -25.903 6.144 1.00 0.00 H new ATOM 0 HD22 LEU B 42 0.717 -26.005 4.367 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -0.326 -27.081 5.328 1.00 0.00 H new ATOM 650 N PRO B 43 3.713 -27.661 1.928 1.00 0.00 N ATOM 651 CA PRO B 43 4.881 -26.907 1.471 1.00 0.00 C ATOM 652 C PRO B 43 4.530 -25.771 0.510 1.00 0.00 C ATOM 653 O PRO B 43 5.042 -24.662 0.640 1.00 0.00 O ATOM 654 CB PRO B 43 5.721 -27.948 0.738 1.00 0.00 C ATOM 655 CG PRO B 43 5.355 -29.260 1.341 1.00 0.00 C ATOM 656 CD PRO B 43 4.002 -29.098 1.989 1.00 0.00 C ATOM 0 HA PRO B 43 5.384 -26.428 2.311 1.00 0.00 H new ATOM 0 HB2 PRO B 43 5.512 -27.937 -0.332 1.00 0.00 H new ATOM 0 HB3 PRO B 43 6.786 -27.746 0.857 1.00 0.00 H new ATOM 0 HG2 PRO B 43 5.324 -30.038 0.578 1.00 0.00 H new ATOM 0 HG3 PRO B 43 6.099 -29.565 2.077 1.00 0.00 H new ATOM 0 HD2 PRO B 43 3.242 -29.675 1.462 1.00 0.00 H new ATOM 0 HD3 PRO B 43 4.014 -29.453 3.019 1.00 0.00 H new ATOM 664 N ASP B 44 3.655 -26.070 -0.452 1.00 0.00 N ATOM 665 CA ASP B 44 3.216 -25.092 -1.452 1.00 0.00 C ATOM 666 C ASP B 44 2.492 -23.936 -0.783 1.00 0.00 C ATOM 667 O ASP B 44 2.713 -22.771 -1.118 1.00 0.00 O ATOM 668 CB ASP B 44 2.272 -25.750 -2.464 1.00 0.00 C ATOM 669 CG ASP B 44 2.846 -27.012 -3.058 1.00 0.00 C ATOM 670 OD1 ASP B 44 3.877 -26.932 -3.749 1.00 0.00 O ATOM 671 OD2 ASP B 44 2.272 -28.092 -2.821 1.00 0.00 O ATOM 0 H ASP B 44 3.232 -26.992 -0.561 1.00 0.00 H new ATOM 0 HA ASP B 44 4.101 -24.718 -1.967 1.00 0.00 H new ATOM 0 HB2 ASP B 44 1.325 -25.981 -1.975 1.00 0.00 H new ATOM 0 HB3 ASP B 44 2.053 -25.043 -3.264 1.00 0.00 H new ATOM 676 N VAL B 45 1.631 -24.275 0.166 1.00 0.00 N ATOM 677 CA VAL B 45 0.869 -23.285 0.910 1.00 0.00 C ATOM 678 C VAL B 45 1.817 -22.375 1.683 1.00 0.00 C ATOM 679 O VAL B 45 1.693 -21.151 1.646 1.00 0.00 O ATOM 680 CB VAL B 45 -0.111 -23.964 1.892 1.00 0.00 C ATOM 681 CG1 VAL B 45 -0.972 -22.940 2.611 1.00 0.00 C ATOM 682 CG2 VAL B 45 -0.988 -24.966 1.166 1.00 0.00 C ATOM 0 H VAL B 45 1.442 -25.239 0.440 1.00 0.00 H new ATOM 0 HA VAL B 45 0.292 -22.694 0.198 1.00 0.00 H new ATOM 0 HB VAL B 45 0.483 -24.491 2.638 1.00 0.00 H new ATOM 0 HG11 VAL B 45 -1.650 -23.451 3.294 1.00 0.00 H new ATOM 0 HG12 VAL B 45 -0.334 -22.259 3.174 1.00 0.00 H new ATOM 0 HG13 VAL B 45 -1.551 -22.374 1.881 1.00 0.00 H new ATOM 0 HG21 VAL B 45 -1.671 -25.433 1.876 1.00 0.00 H new ATOM 0 HG22 VAL B 45 -1.562 -24.455 0.393 1.00 0.00 H new ATOM 0 HG23 VAL B 45 -0.362 -25.732 0.707 1.00 0.00 H new ATOM 692 N ALA B 46 2.777 -22.985 2.373 1.00 0.00 N ATOM 693 CA ALA B 46 3.752 -22.230 3.145 1.00 0.00 C ATOM 694 C ALA B 46 4.671 -21.421 2.232 1.00 0.00 C ATOM 695 O ALA B 46 5.224 -20.406 2.643 1.00 0.00 O ATOM 696 CB ALA B 46 4.553 -23.149 4.045 1.00 0.00 C ATOM 0 H ALA B 46 2.898 -23.997 2.412 1.00 0.00 H new ATOM 0 HA ALA B 46 3.209 -21.527 3.776 1.00 0.00 H new ATOM 0 HB1 ALA B 46 5.276 -22.563 4.613 1.00 0.00 H new ATOM 0 HB2 ALA B 46 3.881 -23.661 4.733 1.00 0.00 H new ATOM 0 HB3 ALA B 46 5.080 -23.885 3.437 1.00 0.00 H new ATOM 702 N SER B 47 4.807 -21.851 0.982 1.00 0.00 N ATOM 703 CA SER B 47 5.629 -21.130 0.021 1.00 0.00 C ATOM 704 C SER B 47 4.969 -19.794 -0.307 1.00 0.00 C ATOM 705 O SER B 47 5.635 -18.792 -0.615 1.00 0.00 O ATOM 706 CB SER B 47 5.823 -21.957 -1.248 1.00 0.00 C ATOM 707 OG SER B 47 6.525 -23.157 -0.968 1.00 0.00 O ATOM 0 H SER B 47 4.361 -22.691 0.613 1.00 0.00 H new ATOM 0 HA SER B 47 6.611 -20.948 0.457 1.00 0.00 H new ATOM 0 HB2 SER B 47 4.853 -22.192 -1.685 1.00 0.00 H new ATOM 0 HB3 SER B 47 6.373 -21.373 -1.987 1.00 0.00 H new ATOM 0 HG SER B 47 5.944 -23.766 -0.467 1.00 0.00 H new ATOM 713 N LEU B 48 3.651 -19.771 -0.200 1.00 0.00 N ATOM 714 CA LEU B 48 2.908 -18.558 -0.454 1.00 0.00 C ATOM 715 C LEU B 48 3.040 -17.611 0.733 1.00 0.00 C ATOM 716 O LEU B 48 2.897 -16.404 0.582 1.00 0.00 O ATOM 717 CB LEU B 48 1.440 -18.872 -0.753 1.00 0.00 C ATOM 718 CG LEU B 48 0.551 -17.653 -0.985 1.00 0.00 C ATOM 719 CD1 LEU B 48 1.088 -16.800 -2.124 1.00 0.00 C ATOM 720 CD2 LEU B 48 -0.872 -18.087 -1.283 1.00 0.00 C ATOM 0 H LEU B 48 3.080 -20.576 0.060 1.00 0.00 H new ATOM 0 HA LEU B 48 3.323 -18.067 -1.334 1.00 0.00 H new ATOM 0 HB2 LEU B 48 1.394 -19.509 -1.636 1.00 0.00 H new ATOM 0 HB3 LEU B 48 1.031 -19.448 0.078 1.00 0.00 H new ATOM 0 HG LEU B 48 0.554 -17.052 -0.075 1.00 0.00 H new ATOM 0 HD11 LEU B 48 0.438 -15.937 -2.270 1.00 0.00 H new ATOM 0 HD12 LEU B 48 2.094 -16.459 -1.880 1.00 0.00 H new ATOM 0 HD13 LEU B 48 1.117 -17.392 -3.039 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -1.494 -17.207 -1.446 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -0.883 -18.710 -2.177 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -1.263 -18.656 -0.440 1.00 0.00 H new ATOM 732 N ARG B 49 3.357 -18.159 1.904 1.00 0.00 N ATOM 733 CA ARG B 49 3.556 -17.344 3.098 1.00 0.00 C ATOM 734 C ARG B 49 4.774 -16.458 2.891 1.00 0.00 C ATOM 735 O ARG B 49 4.785 -15.299 3.291 1.00 0.00 O ATOM 736 CB ARG B 49 3.792 -18.213 4.339 1.00 0.00 C ATOM 737 CG ARG B 49 2.817 -19.365 4.500 1.00 0.00 C ATOM 738 CD ARG B 49 1.394 -18.886 4.701 1.00 0.00 C ATOM 739 NE ARG B 49 1.262 -18.005 5.865 1.00 0.00 N ATOM 740 CZ ARG B 49 1.362 -18.413 7.128 1.00 0.00 C ATOM 741 NH1 ARG B 49 1.554 -19.694 7.410 1.00 0.00 N ATOM 742 NH2 ARG B 49 1.255 -17.536 8.112 1.00 0.00 N ATOM 0 H ARG B 49 3.481 -19.161 2.050 1.00 0.00 H new ATOM 0 HA ARG B 49 2.657 -16.748 3.257 1.00 0.00 H new ATOM 0 HB2 ARG B 49 4.804 -18.615 4.298 1.00 0.00 H new ATOM 0 HB3 ARG B 49 3.736 -17.581 5.225 1.00 0.00 H new ATOM 0 HG2 ARG B 49 2.863 -20.003 3.618 1.00 0.00 H new ATOM 0 HG3 ARG B 49 3.117 -19.976 5.351 1.00 0.00 H new ATOM 0 HD2 ARG B 49 1.062 -18.356 3.808 1.00 0.00 H new ATOM 0 HD3 ARG B 49 0.737 -19.747 4.824 1.00 0.00 H new ATOM 0 HE ARG B 49 1.082 -17.015 5.696 1.00 0.00 H new ATOM 0 HH11 ARG B 49 1.626 -20.377 6.656 1.00 0.00 H new ATOM 0 HH12 ARG B 49 1.629 -19.997 8.381 1.00 0.00 H new ATOM 0 HH21 ARG B 49 1.096 -16.551 7.902 1.00 0.00 H new ATOM 0 HH22 ARG B 49 1.331 -17.845 9.081 1.00 0.00 H new ATOM 756 N GLN B 50 5.795 -17.027 2.247 1.00 0.00 N ATOM 757 CA GLN B 50 7.035 -16.308 1.963 1.00 0.00 C ATOM 758 C GLN B 50 6.771 -15.184 0.971 1.00 0.00 C ATOM 759 O GLN B 50 7.243 -14.062 1.154 1.00 0.00 O ATOM 760 CB GLN B 50 8.094 -17.259 1.410 1.00 0.00 C ATOM 761 CG GLN B 50 7.694 -18.721 1.490 1.00 0.00 C ATOM 762 CD GLN B 50 8.764 -19.644 0.951 1.00 0.00 C ATOM 763 OE1 GLN B 50 9.144 -19.549 -0.215 1.00 0.00 O ATOM 764 NE2 GLN B 50 9.256 -20.543 1.789 1.00 0.00 N ATOM 0 H GLN B 50 5.785 -17.990 1.911 1.00 0.00 H new ATOM 0 HA GLN B 50 7.408 -15.880 2.894 1.00 0.00 H new ATOM 0 HB2 GLN B 50 8.295 -17.002 0.370 1.00 0.00 H new ATOM 0 HB3 GLN B 50 9.024 -17.114 1.960 1.00 0.00 H new ATOM 0 HG2 GLN B 50 7.484 -18.981 2.528 1.00 0.00 H new ATOM 0 HG3 GLN B 50 6.771 -18.873 0.930 1.00 0.00 H new ATOM 0 HE21 GLN B 50 8.913 -20.588 2.748 1.00 0.00 H new ATOM 0 HE22 GLN B 50 9.979 -21.191 1.475 1.00 0.00 H new ATOM 773 N GLN B 51 5.989 -15.484 -0.070 1.00 0.00 N ATOM 774 CA GLN B 51 5.636 -14.476 -1.073 1.00 0.00 C ATOM 775 C GLN B 51 4.829 -13.359 -0.408 1.00 0.00 C ATOM 776 O GLN B 51 4.895 -12.191 -0.790 1.00 0.00 O ATOM 777 CB GLN B 51 4.820 -15.109 -2.203 1.00 0.00 C ATOM 778 CG GLN B 51 4.630 -14.192 -3.403 1.00 0.00 C ATOM 779 CD GLN B 51 3.714 -14.779 -4.456 1.00 0.00 C ATOM 780 OE1 GLN B 51 3.900 -15.915 -4.896 1.00 0.00 O ATOM 781 NE2 GLN B 51 2.723 -14.009 -4.873 1.00 0.00 N ATOM 0 H GLN B 51 5.592 -16.408 -0.239 1.00 0.00 H new ATOM 0 HA GLN B 51 6.550 -14.062 -1.498 1.00 0.00 H new ATOM 0 HB2 GLN B 51 5.315 -16.023 -2.530 1.00 0.00 H new ATOM 0 HB3 GLN B 51 3.842 -15.396 -1.817 1.00 0.00 H new ATOM 0 HG2 GLN B 51 4.222 -13.239 -3.065 1.00 0.00 H new ATOM 0 HG3 GLN B 51 5.601 -13.982 -3.850 1.00 0.00 H new ATOM 0 HE21 GLN B 51 2.604 -13.074 -4.482 1.00 0.00 H new ATOM 0 HE22 GLN B 51 2.077 -14.350 -5.585 1.00 0.00 H new ATOM 790 N VAL B 52 4.074 -13.750 0.600 1.00 0.00 N ATOM 791 CA VAL B 52 3.237 -12.845 1.367 1.00 0.00 C ATOM 792 C VAL B 52 4.088 -11.947 2.266 1.00 0.00 C ATOM 793 O VAL B 52 3.719 -10.808 2.527 1.00 0.00 O ATOM 794 CB VAL B 52 2.218 -13.693 2.181 1.00 0.00 C ATOM 795 CG1 VAL B 52 1.982 -13.177 3.585 1.00 0.00 C ATOM 796 CG2 VAL B 52 0.915 -13.872 1.416 1.00 0.00 C ATOM 0 H VAL B 52 4.023 -14.719 0.915 1.00 0.00 H new ATOM 0 HA VAL B 52 2.690 -12.179 0.700 1.00 0.00 H new ATOM 0 HB VAL B 52 2.674 -14.675 2.307 1.00 0.00 H new ATOM 0 HG11 VAL B 52 1.261 -13.818 4.092 1.00 0.00 H new ATOM 0 HG12 VAL B 52 2.922 -13.181 4.137 1.00 0.00 H new ATOM 0 HG13 VAL B 52 1.593 -12.160 3.538 1.00 0.00 H new ATOM 0 HG21 VAL B 52 0.223 -14.469 2.010 1.00 0.00 H new ATOM 0 HG22 VAL B 52 0.473 -12.896 1.216 1.00 0.00 H new ATOM 0 HG23 VAL B 52 1.114 -14.380 0.472 1.00 0.00 H new ATOM 806 N GLU B 53 5.246 -12.443 2.701 1.00 0.00 N ATOM 807 CA GLU B 53 6.146 -11.643 3.522 1.00 0.00 C ATOM 808 C GLU B 53 6.700 -10.502 2.679 1.00 0.00 C ATOM 809 O GLU B 53 7.013 -9.421 3.180 1.00 0.00 O ATOM 810 CB GLU B 53 7.288 -12.500 4.063 1.00 0.00 C ATOM 811 CG GLU B 53 6.819 -13.627 4.966 1.00 0.00 C ATOM 812 CD GLU B 53 7.957 -14.469 5.485 1.00 0.00 C ATOM 813 OE1 GLU B 53 8.648 -15.105 4.669 1.00 0.00 O ATOM 814 OE2 GLU B 53 8.167 -14.490 6.713 1.00 0.00 O ATOM 0 H GLU B 53 5.578 -13.386 2.500 1.00 0.00 H new ATOM 0 HA GLU B 53 5.595 -11.241 4.372 1.00 0.00 H new ATOM 0 HB2 GLU B 53 7.844 -12.922 3.226 1.00 0.00 H new ATOM 0 HB3 GLU B 53 7.979 -11.864 4.616 1.00 0.00 H new ATOM 0 HG2 GLU B 53 6.269 -13.207 5.809 1.00 0.00 H new ATOM 0 HG3 GLU B 53 6.124 -14.262 4.417 1.00 0.00 H new ATOM 821 N ALA B 54 6.781 -10.759 1.385 1.00 0.00 N ATOM 822 CA ALA B 54 7.252 -9.783 0.420 1.00 0.00 C ATOM 823 C ALA B 54 6.248 -8.657 0.283 1.00 0.00 C ATOM 824 O ALA B 54 6.572 -7.483 0.458 1.00 0.00 O ATOM 825 CB ALA B 54 7.429 -10.454 -0.921 1.00 0.00 C ATOM 0 H ALA B 54 6.520 -11.655 0.973 1.00 0.00 H new ATOM 0 HA ALA B 54 8.203 -9.375 0.763 1.00 0.00 H new ATOM 0 HB1 ALA B 54 7.783 -9.724 -1.649 1.00 0.00 H new ATOM 0 HB2 ALA B 54 8.158 -11.260 -0.831 1.00 0.00 H new ATOM 0 HB3 ALA B 54 6.474 -10.863 -1.252 1.00 0.00 H new ATOM 831 N LEU B 55 5.021 -9.045 -0.037 1.00 0.00 N ATOM 832 CA LEU B 55 3.924 -8.105 -0.216 1.00 0.00 C ATOM 833 C LEU B 55 3.668 -7.290 1.045 1.00 0.00 C ATOM 834 O LEU B 55 3.362 -6.098 0.971 1.00 0.00 O ATOM 835 CB LEU B 55 2.653 -8.853 -0.632 1.00 0.00 C ATOM 836 CG LEU B 55 2.459 -9.025 -2.144 1.00 0.00 C ATOM 837 CD1 LEU B 55 2.598 -7.687 -2.848 1.00 0.00 C ATOM 838 CD2 LEU B 55 3.444 -10.035 -2.711 1.00 0.00 C ATOM 0 H LEU B 55 4.759 -10.020 -0.180 1.00 0.00 H new ATOM 0 HA LEU B 55 4.208 -7.409 -1.006 1.00 0.00 H new ATOM 0 HB2 LEU B 55 2.664 -9.840 -0.169 1.00 0.00 H new ATOM 0 HB3 LEU B 55 1.790 -8.322 -0.230 1.00 0.00 H new ATOM 0 HG LEU B 55 1.453 -9.407 -2.317 1.00 0.00 H new ATOM 0 HD11 LEU B 55 2.458 -7.824 -3.920 1.00 0.00 H new ATOM 0 HD12 LEU B 55 1.845 -6.996 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU B 55 3.591 -7.279 -2.661 1.00 0.00 H new ATOM 0 HD21 LEU B 55 3.283 -10.137 -3.784 1.00 0.00 H new ATOM 0 HD22 LEU B 55 4.462 -9.693 -2.527 1.00 0.00 H new ATOM 0 HD23 LEU B 55 3.293 -11.001 -2.228 1.00 0.00 H new ATOM 850 N GLN B 56 3.801 -7.921 2.206 1.00 0.00 N ATOM 851 CA GLN B 56 3.578 -7.217 3.465 1.00 0.00 C ATOM 852 C GLN B 56 4.745 -6.288 3.770 1.00 0.00 C ATOM 853 O GLN B 56 4.567 -5.260 4.413 1.00 0.00 O ATOM 854 CB GLN B 56 3.319 -8.177 4.637 1.00 0.00 C ATOM 855 CG GLN B 56 4.514 -9.001 5.074 1.00 0.00 C ATOM 856 CD GLN B 56 4.225 -9.801 6.326 1.00 0.00 C ATOM 857 OE1 GLN B 56 4.361 -11.117 6.237 1.00 0.00 O flip ATOM 858 NE2 GLN B 56 3.881 -9.238 7.367 1.00 0.00 N flip ATOM 0 H GLN B 56 4.058 -8.903 2.303 1.00 0.00 H new ATOM 0 HA GLN B 56 2.675 -6.619 3.344 1.00 0.00 H new ATOM 0 HB2 GLN B 56 2.967 -7.597 5.490 1.00 0.00 H new ATOM 0 HB3 GLN B 56 2.513 -8.855 4.358 1.00 0.00 H new ATOM 0 HG2 GLN B 56 4.801 -9.678 4.269 1.00 0.00 H new ATOM 0 HG3 GLN B 56 5.363 -8.341 5.253 1.00 0.00 H new ATOM 0 HE21 GLN B 56 3.789 -8.222 7.391 1.00 0.00 H new ATOM 0 HE22 GLN B 56 3.689 -9.788 8.204 1.00 0.00 H new ATOM 867 N GLY B 57 5.933 -6.624 3.269 1.00 0.00 N ATOM 868 CA GLY B 57 7.081 -5.764 3.479 1.00 0.00 C ATOM 869 C GLY B 57 6.920 -4.468 2.708 1.00 0.00 C ATOM 870 O GLY B 57 7.355 -3.397 3.142 1.00 0.00 O ATOM 0 H GLY B 57 6.117 -7.468 2.727 1.00 0.00 H new ATOM 0 HA2 GLY B 57 7.194 -5.550 4.542 1.00 0.00 H new ATOM 0 HA3 GLY B 57 7.989 -6.275 3.159 1.00 0.00 H new ATOM 874 N GLN B 58 6.263 -4.566 1.560 1.00 0.00 N ATOM 875 CA GLN B 58 6.012 -3.407 0.722 1.00 0.00 C ATOM 876 C GLN B 58 4.986 -2.484 1.361 1.00 0.00 C ATOM 877 O GLN B 58 5.187 -1.283 1.446 1.00 0.00 O ATOM 878 CB GLN B 58 5.511 -3.842 -0.661 1.00 0.00 C ATOM 879 CG GLN B 58 6.445 -4.795 -1.389 1.00 0.00 C ATOM 880 CD GLN B 58 7.832 -4.216 -1.565 1.00 0.00 C ATOM 881 OE1 GLN B 58 7.996 -3.132 -2.123 1.00 0.00 O ATOM 882 NE2 GLN B 58 8.836 -4.929 -1.082 1.00 0.00 N ATOM 0 H GLN B 58 5.894 -5.441 1.189 1.00 0.00 H new ATOM 0 HA GLN B 58 6.953 -2.868 0.613 1.00 0.00 H new ATOM 0 HB2 GLN B 58 4.538 -4.319 -0.549 1.00 0.00 H new ATOM 0 HB3 GLN B 58 5.362 -2.955 -1.277 1.00 0.00 H new ATOM 0 HG2 GLN B 58 6.512 -5.730 -0.833 1.00 0.00 H new ATOM 0 HG3 GLN B 58 6.027 -5.034 -2.367 1.00 0.00 H new ATOM 0 HE21 GLN B 58 8.654 -5.823 -0.627 1.00 0.00 H new ATOM 0 HE22 GLN B 58 9.792 -4.585 -1.165 1.00 0.00 H new ATOM 891 N VAL B 59 3.878 -3.045 1.794 1.00 0.00 N ATOM 892 CA VAL B 59 2.828 -2.246 2.393 1.00 0.00 C ATOM 893 C VAL B 59 3.254 -1.639 3.736 1.00 0.00 C ATOM 894 O VAL B 59 2.864 -0.516 4.057 1.00 0.00 O ATOM 895 CB VAL B 59 1.520 -3.070 2.502 1.00 0.00 C ATOM 896 CG1 VAL B 59 1.727 -4.373 3.244 1.00 0.00 C ATOM 897 CG2 VAL B 59 0.376 -2.273 3.097 1.00 0.00 C ATOM 0 H VAL B 59 3.680 -4.044 1.744 1.00 0.00 H new ATOM 0 HA VAL B 59 2.633 -1.398 1.736 1.00 0.00 H new ATOM 0 HB VAL B 59 1.235 -3.318 1.479 1.00 0.00 H new ATOM 0 HG11 VAL B 59 0.783 -4.916 3.296 1.00 0.00 H new ATOM 0 HG12 VAL B 59 2.466 -4.978 2.718 1.00 0.00 H new ATOM 0 HG13 VAL B 59 2.081 -4.165 4.254 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -0.515 -2.899 3.150 1.00 0.00 H new ATOM 0 HG22 VAL B 59 0.646 -1.941 4.099 1.00 0.00 H new ATOM 0 HG23 VAL B 59 0.173 -1.405 2.470 1.00 0.00 H new ATOM 907 N GLN B 60 4.073 -2.351 4.500 1.00 0.00 N ATOM 908 CA GLN B 60 4.545 -1.822 5.782 1.00 0.00 C ATOM 909 C GLN B 60 5.450 -0.608 5.577 1.00 0.00 C ATOM 910 O GLN B 60 5.301 0.402 6.269 1.00 0.00 O ATOM 911 CB GLN B 60 5.283 -2.879 6.618 1.00 0.00 C ATOM 912 CG GLN B 60 6.522 -3.458 5.962 1.00 0.00 C ATOM 913 CD GLN B 60 7.429 -4.153 6.956 1.00 0.00 C ATOM 914 OE1 GLN B 60 7.588 -5.460 6.799 1.00 0.00 O flip ATOM 915 NE2 GLN B 60 7.972 -3.525 7.868 1.00 0.00 N flip ATOM 0 H GLN B 60 4.422 -3.280 4.264 1.00 0.00 H new ATOM 0 HA GLN B 60 3.655 -1.520 6.334 1.00 0.00 H new ATOM 0 HB2 GLN B 60 5.568 -2.434 7.571 1.00 0.00 H new ATOM 0 HB3 GLN B 60 4.593 -3.693 6.840 1.00 0.00 H new ATOM 0 HG2 GLN B 60 6.224 -4.166 5.189 1.00 0.00 H new ATOM 0 HG3 GLN B 60 7.074 -2.660 5.466 1.00 0.00 H new ATOM 0 HE21 GLN B 60 7.824 -2.519 7.954 1.00 0.00 H new ATOM 0 HE22 GLN B 60 8.569 -4.011 8.537 1.00 0.00 H new ATOM 924 N HIS B 61 6.394 -0.694 4.635 1.00 0.00 N ATOM 925 CA HIS B 61 7.288 0.432 4.400 1.00 0.00 C ATOM 926 C HIS B 61 6.556 1.549 3.655 1.00 0.00 C ATOM 927 O HIS B 61 6.981 2.706 3.683 1.00 0.00 O ATOM 928 CB HIS B 61 8.580 0.009 3.690 1.00 0.00 C ATOM 929 CG HIS B 61 8.503 0.006 2.215 1.00 0.00 C ATOM 930 ND1 HIS B 61 7.831 -0.941 1.525 1.00 0.00 N ATOM 931 CD2 HIS B 61 8.987 0.884 1.299 1.00 0.00 C ATOM 932 CE1 HIS B 61 7.899 -0.635 0.242 1.00 0.00 C ATOM 933 NE2 HIS B 61 8.593 0.468 0.038 1.00 0.00 N ATOM 0 H HIS B 61 6.553 -1.508 4.041 1.00 0.00 H new ATOM 0 HA HIS B 61 7.595 0.823 5.370 1.00 0.00 H new ATOM 0 HB2 HIS B 61 9.383 0.679 3.997 1.00 0.00 H new ATOM 0 HB3 HIS B 61 8.853 -0.991 4.028 1.00 0.00 H new ATOM 0 HD2 HIS B 61 9.580 1.760 1.517 1.00 0.00 H new ATOM 0 HE1 HIS B 61 7.442 -1.217 -0.545 1.00 0.00 H new ATOM 0 HE2 HIS B 61 8.796 0.917 -0.855 1.00 0.00 H new ATOM 941 N LEU B 62 5.422 1.221 3.032 1.00 0.00 N ATOM 942 CA LEU B 62 4.629 2.237 2.354 1.00 0.00 C ATOM 943 C LEU B 62 3.969 3.103 3.399 1.00 0.00 C ATOM 944 O LEU B 62 3.890 4.315 3.249 1.00 0.00 O ATOM 945 CB LEU B 62 3.556 1.632 1.445 1.00 0.00 C ATOM 946 CG LEU B 62 4.076 1.013 0.151 1.00 0.00 C ATOM 947 CD1 LEU B 62 2.935 0.742 -0.810 1.00 0.00 C ATOM 948 CD2 LEU B 62 5.108 1.918 -0.498 1.00 0.00 C ATOM 0 H LEU B 62 5.041 0.276 2.985 1.00 0.00 H new ATOM 0 HA LEU B 62 5.296 2.820 1.720 1.00 0.00 H new ATOM 0 HB2 LEU B 62 3.017 0.867 2.004 1.00 0.00 H new ATOM 0 HB3 LEU B 62 2.835 2.410 1.193 1.00 0.00 H new ATOM 0 HG LEU B 62 4.553 0.064 0.397 1.00 0.00 H new ATOM 0 HD11 LEU B 62 3.328 0.301 -1.726 1.00 0.00 H new ATOM 0 HD12 LEU B 62 2.227 0.052 -0.350 1.00 0.00 H new ATOM 0 HD13 LEU B 62 2.428 1.678 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU B 62 5.467 1.459 -1.419 1.00 0.00 H new ATOM 0 HD22 LEU B 62 4.654 2.882 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU B 62 5.945 2.063 0.185 1.00 0.00 H new ATOM 960 N GLN B 63 3.530 2.466 4.480 1.00 0.00 N ATOM 961 CA GLN B 63 2.914 3.183 5.582 1.00 0.00 C ATOM 962 C GLN B 63 3.989 3.989 6.288 1.00 0.00 C ATOM 963 O GLN B 63 3.731 5.068 6.821 1.00 0.00 O ATOM 964 CB GLN B 63 2.261 2.214 6.571 1.00 0.00 C ATOM 965 CG GLN B 63 1.206 1.317 5.950 1.00 0.00 C ATOM 966 CD GLN B 63 0.704 0.255 6.906 1.00 0.00 C ATOM 967 OE1 GLN B 63 1.457 -0.623 7.325 1.00 0.00 O ATOM 968 NE2 GLN B 63 -0.569 0.335 7.262 1.00 0.00 N ATOM 0 H GLN B 63 3.591 1.457 4.613 1.00 0.00 H new ATOM 0 HA GLN B 63 2.136 3.840 5.194 1.00 0.00 H new ATOM 0 HB2 GLN B 63 3.035 1.591 7.019 1.00 0.00 H new ATOM 0 HB3 GLN B 63 1.806 2.787 7.379 1.00 0.00 H new ATOM 0 HG2 GLN B 63 0.366 1.927 5.618 1.00 0.00 H new ATOM 0 HG3 GLN B 63 1.620 0.836 5.064 1.00 0.00 H new ATOM 0 HE21 GLN B 63 -1.157 1.081 6.889 1.00 0.00 H new ATOM 0 HE22 GLN B 63 -0.962 -0.349 7.909 1.00 0.00 H new ATOM 977 N ALA B 64 5.206 3.450 6.257 1.00 0.00 N ATOM 978 CA ALA B 64 6.365 4.097 6.853 1.00 0.00 C ATOM 979 C ALA B 64 6.549 5.476 6.248 1.00 0.00 C ATOM 980 O ALA B 64 6.523 6.488 6.948 1.00 0.00 O ATOM 981 CB ALA B 64 7.609 3.252 6.612 1.00 0.00 C ATOM 0 H ALA B 64 5.413 2.553 5.818 1.00 0.00 H new ATOM 0 HA ALA B 64 6.208 4.198 7.927 1.00 0.00 H new ATOM 0 HB1 ALA B 64 8.474 3.741 7.060 1.00 0.00 H new ATOM 0 HB2 ALA B 64 7.474 2.269 7.063 1.00 0.00 H new ATOM 0 HB3 ALA B 64 7.771 3.140 5.540 1.00 0.00 H new ATOM 987 N ALA B 65 6.704 5.500 4.931 1.00 0.00 N ATOM 988 CA ALA B 65 6.863 6.742 4.200 1.00 0.00 C ATOM 989 C ALA B 65 5.621 7.608 4.364 1.00 0.00 C ATOM 990 O ALA B 65 5.714 8.825 4.518 1.00 0.00 O ATOM 991 CB ALA B 65 7.126 6.456 2.729 1.00 0.00 C ATOM 0 H ALA B 65 6.723 4.664 4.347 1.00 0.00 H new ATOM 0 HA ALA B 65 7.719 7.283 4.604 1.00 0.00 H new ATOM 0 HB1 ALA B 65 7.244 7.397 2.191 1.00 0.00 H new ATOM 0 HB2 ALA B 65 8.037 5.865 2.630 1.00 0.00 H new ATOM 0 HB3 ALA B 65 6.286 5.901 2.310 1.00 0.00 H new ATOM 997 N PHE B 66 4.462 6.948 4.329 1.00 0.00 N ATOM 998 CA PHE B 66 3.158 7.600 4.465 1.00 0.00 C ATOM 999 C PHE B 66 3.049 8.397 5.756 1.00 0.00 C ATOM 1000 O PHE B 66 2.279 9.343 5.827 1.00 0.00 O ATOM 1001 CB PHE B 66 2.045 6.549 4.425 1.00 0.00 C ATOM 1002 CG PHE B 66 0.992 6.802 3.389 1.00 0.00 C ATOM 1003 CD1 PHE B 66 0.926 8.013 2.715 1.00 0.00 C ATOM 1004 CD2 PHE B 66 0.067 5.815 3.079 1.00 0.00 C ATOM 1005 CE1 PHE B 66 -0.036 8.227 1.755 1.00 0.00 C ATOM 1006 CE2 PHE B 66 -0.899 6.029 2.115 1.00 0.00 C ATOM 1007 CZ PHE B 66 -0.949 7.236 1.454 1.00 0.00 C ATOM 0 H PHE B 66 4.401 5.937 4.204 1.00 0.00 H new ATOM 0 HA PHE B 66 3.053 8.294 3.631 1.00 0.00 H new ATOM 0 HB2 PHE B 66 2.491 5.572 4.241 1.00 0.00 H new ATOM 0 HB3 PHE B 66 1.570 6.503 5.405 1.00 0.00 H new ATOM 0 HD1 PHE B 66 1.635 8.794 2.946 1.00 0.00 H new ATOM 0 HD2 PHE B 66 0.103 4.868 3.598 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -0.077 9.173 1.235 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -1.612 5.253 1.881 1.00 0.00 H new ATOM 0 HZ PHE B 66 -1.703 7.408 0.700 1.00 0.00 H new ATOM 1017 N SER B 67 3.814 8.011 6.772 1.00 0.00 N ATOM 1018 CA SER B 67 3.782 8.707 8.053 1.00 0.00 C ATOM 1019 C SER B 67 4.172 10.179 7.878 1.00 0.00 C ATOM 1020 O SER B 67 3.717 11.047 8.625 1.00 0.00 O ATOM 1021 CB SER B 67 4.715 8.015 9.049 1.00 0.00 C ATOM 1022 OG SER B 67 4.576 8.561 10.350 1.00 0.00 O ATOM 0 H SER B 67 4.461 7.223 6.734 1.00 0.00 H new ATOM 0 HA SER B 67 2.766 8.672 8.445 1.00 0.00 H new ATOM 0 HB2 SER B 67 4.496 6.948 9.075 1.00 0.00 H new ATOM 0 HB3 SER B 67 5.748 8.120 8.717 1.00 0.00 H new ATOM 0 HG SER B 67 5.183 8.099 10.965 1.00 0.00 H new ATOM 1028 N GLN B 68 4.999 10.459 6.876 1.00 0.00 N ATOM 1029 CA GLN B 68 5.428 11.826 6.596 1.00 0.00 C ATOM 1030 C GLN B 68 4.465 12.515 5.640 1.00 0.00 C ATOM 1031 O GLN B 68 4.254 13.719 5.723 1.00 0.00 O ATOM 1032 CB GLN B 68 6.832 11.834 5.985 1.00 0.00 C ATOM 1033 CG GLN B 68 7.909 11.276 6.898 1.00 0.00 C ATOM 1034 CD GLN B 68 8.194 12.161 8.094 1.00 0.00 C ATOM 1035 OE1 GLN B 68 7.326 12.401 8.931 1.00 0.00 O ATOM 1036 NE2 GLN B 68 9.414 12.663 8.174 1.00 0.00 N ATOM 0 H GLN B 68 5.386 9.758 6.244 1.00 0.00 H new ATOM 0 HA GLN B 68 5.439 12.368 7.542 1.00 0.00 H new ATOM 0 HB2 GLN B 68 6.818 11.255 5.062 1.00 0.00 H new ATOM 0 HB3 GLN B 68 7.093 12.857 5.716 1.00 0.00 H new ATOM 0 HG2 GLN B 68 7.604 10.290 7.248 1.00 0.00 H new ATOM 0 HG3 GLN B 68 8.827 11.142 6.326 1.00 0.00 H new ATOM 0 HE21 GLN B 68 10.106 12.439 7.458 1.00 0.00 H new ATOM 0 HE22 GLN B 68 9.664 13.274 8.951 1.00 0.00 H new ATOM 1045 N TYR B 69 3.892 11.745 4.730 1.00 0.00 N ATOM 1046 CA TYR B 69 2.956 12.283 3.751 1.00 0.00 C ATOM 1047 C TYR B 69 1.584 12.485 4.374 1.00 0.00 C ATOM 1048 O TYR B 69 0.743 13.198 3.833 1.00 0.00 O ATOM 1049 CB TYR B 69 2.857 11.340 2.561 1.00 0.00 C ATOM 1050 CG TYR B 69 4.214 10.977 2.004 1.00 0.00 C ATOM 1051 CD1 TYR B 69 5.128 11.955 1.634 1.00 0.00 C ATOM 1052 CD2 TYR B 69 4.596 9.651 1.899 1.00 0.00 C ATOM 1053 CE1 TYR B 69 6.370 11.611 1.166 1.00 0.00 C ATOM 1054 CE2 TYR B 69 5.844 9.304 1.438 1.00 0.00 C ATOM 1055 CZ TYR B 69 6.729 10.286 1.076 1.00 0.00 C ATOM 1056 OH TYR B 69 7.979 9.942 0.631 1.00 0.00 O ATOM 0 H TYR B 69 4.058 10.742 4.647 1.00 0.00 H new ATOM 0 HA TYR B 69 3.324 13.251 3.412 1.00 0.00 H new ATOM 0 HB2 TYR B 69 2.335 10.432 2.862 1.00 0.00 H new ATOM 0 HB3 TYR B 69 2.258 11.807 1.779 1.00 0.00 H new ATOM 0 HD1 TYR B 69 4.858 12.997 1.716 1.00 0.00 H new ATOM 0 HD2 TYR B 69 3.901 8.875 2.184 1.00 0.00 H new ATOM 0 HE1 TYR B 69 7.067 12.380 0.868 1.00 0.00 H new ATOM 0 HE2 TYR B 69 6.125 8.264 1.362 1.00 0.00 H new ATOM 0 HH TYR B 69 8.656 10.324 1.228 1.00 0.00 H new ATOM 1066 N LYS B 70 1.376 11.832 5.508 1.00 0.00 N ATOM 1067 CA LYS B 70 0.115 11.890 6.245 1.00 0.00 C ATOM 1068 C LYS B 70 -0.263 13.329 6.589 1.00 0.00 C ATOM 1069 O LYS B 70 -1.398 13.748 6.373 1.00 0.00 O ATOM 1070 CB LYS B 70 0.225 11.041 7.522 1.00 0.00 C ATOM 1071 CG LYS B 70 -1.085 10.396 7.971 1.00 0.00 C ATOM 1072 CD LYS B 70 -2.051 11.409 8.556 1.00 0.00 C ATOM 1073 CE LYS B 70 -3.357 10.750 8.969 1.00 0.00 C ATOM 1074 NZ LYS B 70 -4.255 11.690 9.685 1.00 0.00 N ATOM 0 H LYS B 70 2.081 11.241 5.949 1.00 0.00 H new ATOM 0 HA LYS B 70 -0.675 11.487 5.611 1.00 0.00 H new ATOM 0 HB2 LYS B 70 0.964 10.256 7.359 1.00 0.00 H new ATOM 0 HB3 LYS B 70 0.601 11.670 8.329 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -1.553 9.899 7.122 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -0.874 9.627 8.714 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -1.596 11.892 9.420 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -2.251 12.190 7.823 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -3.865 10.367 8.084 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -3.144 9.894 9.609 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -5.133 11.199 9.948 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -3.782 12.036 10.544 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -4.480 12.495 9.066 1.00 0.00 H new ATOM 1088 N LYS B 71 0.685 14.099 7.112 1.00 0.00 N ATOM 1089 CA LYS B 71 0.394 15.487 7.458 1.00 0.00 C ATOM 1090 C LYS B 71 0.676 16.419 6.283 1.00 0.00 C ATOM 1091 O LYS B 71 1.153 17.542 6.460 1.00 0.00 O ATOM 1092 CB LYS B 71 1.160 15.930 8.706 1.00 0.00 C ATOM 1093 CG LYS B 71 2.671 15.953 8.559 1.00 0.00 C ATOM 1094 CD LYS B 71 3.282 14.565 8.651 1.00 0.00 C ATOM 1095 CE LYS B 71 4.806 14.621 8.600 1.00 0.00 C ATOM 1096 NZ LYS B 71 5.380 15.390 9.741 1.00 0.00 N ATOM 0 H LYS B 71 1.640 13.796 7.303 1.00 0.00 H new ATOM 0 HA LYS B 71 -0.670 15.548 7.688 1.00 0.00 H new ATOM 0 HB2 LYS B 71 0.822 16.928 8.986 1.00 0.00 H new ATOM 0 HB3 LYS B 71 0.900 15.264 9.529 1.00 0.00 H new ATOM 0 HG2 LYS B 71 2.933 16.400 7.600 1.00 0.00 H new ATOM 0 HG3 LYS B 71 3.099 16.588 9.335 1.00 0.00 H new ATOM 0 HD2 LYS B 71 2.965 14.087 9.578 1.00 0.00 H new ATOM 0 HD3 LYS B 71 2.912 13.948 7.832 1.00 0.00 H new ATOM 0 HE2 LYS B 71 5.206 13.607 8.610 1.00 0.00 H new ATOM 0 HE3 LYS B 71 5.120 15.078 7.662 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 6.264 14.940 10.053 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 5.576 16.366 9.438 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 4.701 15.402 10.528 1.00 0.00 H new ATOM 1110 N VAL B 72 0.371 15.932 5.090 1.00 0.00 N ATOM 1111 CA VAL B 72 0.579 16.683 3.859 1.00 0.00 C ATOM 1112 C VAL B 72 -0.750 16.878 3.096 1.00 0.00 C ATOM 1113 O VAL B 72 -0.786 17.458 2.010 1.00 0.00 O ATOM 1114 CB VAL B 72 1.639 15.949 2.986 1.00 0.00 C ATOM 1115 CG1 VAL B 72 1.901 16.634 1.660 1.00 0.00 C ATOM 1116 CG2 VAL B 72 2.947 15.825 3.751 1.00 0.00 C ATOM 0 H VAL B 72 -0.028 15.004 4.947 1.00 0.00 H new ATOM 0 HA VAL B 72 0.952 17.678 4.101 1.00 0.00 H new ATOM 0 HB VAL B 72 1.227 14.964 2.765 1.00 0.00 H new ATOM 0 HG11 VAL B 72 2.649 16.071 1.101 1.00 0.00 H new ATOM 0 HG12 VAL B 72 0.976 16.679 1.085 1.00 0.00 H new ATOM 0 HG13 VAL B 72 2.267 17.645 1.839 1.00 0.00 H new ATOM 0 HG21 VAL B 72 3.683 15.310 3.133 1.00 0.00 H new ATOM 0 HG22 VAL B 72 3.317 16.819 4.003 1.00 0.00 H new ATOM 0 HG23 VAL B 72 2.781 15.257 4.666 1.00 0.00 H new ATOM 1126 N GLU B 73 -1.854 16.404 3.671 1.00 0.00 N ATOM 1127 CA GLU B 73 -3.162 16.545 3.028 1.00 0.00 C ATOM 1128 C GLU B 73 -3.894 17.794 3.485 1.00 0.00 C ATOM 1129 O GLU B 73 -4.725 18.329 2.749 1.00 0.00 O ATOM 1130 CB GLU B 73 -4.026 15.328 3.324 1.00 0.00 C ATOM 1131 CG GLU B 73 -4.152 15.031 4.812 1.00 0.00 C ATOM 1132 CD GLU B 73 -5.219 14.008 5.118 1.00 0.00 C ATOM 1133 OE1 GLU B 73 -6.392 14.257 4.788 1.00 0.00 O ATOM 1134 OE2 GLU B 73 -4.883 12.961 5.705 1.00 0.00 O ATOM 0 H GLU B 73 -1.871 15.924 4.571 1.00 0.00 H new ATOM 0 HA GLU B 73 -2.982 16.629 1.956 1.00 0.00 H new ATOM 0 HB2 GLU B 73 -5.020 15.486 2.906 1.00 0.00 H new ATOM 0 HB3 GLU B 73 -3.603 14.459 2.821 1.00 0.00 H new ATOM 0 HG2 GLU B 73 -3.194 14.673 5.188 1.00 0.00 H new ATOM 0 HG3 GLU B 73 -4.378 15.955 5.344 1.00 0.00 H new ATOM 1141 N LEU B 74 -3.591 18.252 4.697 1.00 0.00 N ATOM 1142 CA LEU B 74 -4.226 19.454 5.246 1.00 0.00 C ATOM 1143 C LEU B 74 -4.036 20.630 4.300 1.00 0.00 C ATOM 1144 O LEU B 74 -4.840 21.561 4.266 1.00 0.00 O ATOM 1145 CB LEU B 74 -3.702 19.810 6.638 1.00 0.00 C ATOM 1146 CG LEU B 74 -2.251 19.461 6.996 1.00 0.00 C ATOM 1147 CD1 LEU B 74 -2.124 18.025 7.463 1.00 0.00 C ATOM 1148 CD2 LEU B 74 -1.255 19.774 5.900 1.00 0.00 C ATOM 0 H LEU B 74 -2.912 17.813 5.319 1.00 0.00 H new ATOM 0 HA LEU B 74 -5.289 19.235 5.348 1.00 0.00 H new ATOM 0 HB2 LEU B 74 -3.825 20.885 6.771 1.00 0.00 H new ATOM 0 HB3 LEU B 74 -4.348 19.322 7.368 1.00 0.00 H new ATOM 0 HG LEU B 74 -1.991 20.118 7.826 1.00 0.00 H new ATOM 0 HD11 LEU B 74 -1.083 17.813 7.708 1.00 0.00 H new ATOM 0 HD12 LEU B 74 -2.743 17.874 8.347 1.00 0.00 H new ATOM 0 HD13 LEU B 74 -2.454 17.354 6.670 1.00 0.00 H new ATOM 0 HD21 LEU B 74 -0.253 19.499 6.230 1.00 0.00 H new ATOM 0 HD22 LEU B 74 -1.510 19.208 5.004 1.00 0.00 H new ATOM 0 HD23 LEU B 74 -1.283 20.840 5.676 1.00 0.00 H new ATOM 1160 N PHE B 75 -2.956 20.537 3.535 1.00 0.00 N ATOM 1161 CA PHE B 75 -2.570 21.520 2.531 1.00 0.00 C ATOM 1162 C PHE B 75 -3.698 21.748 1.499 1.00 0.00 C ATOM 1163 O PHE B 75 -4.753 21.124 1.575 1.00 0.00 O ATOM 1164 CB PHE B 75 -1.281 21.037 1.848 1.00 0.00 C ATOM 1165 CG PHE B 75 -0.077 21.083 2.740 1.00 0.00 C ATOM 1166 CD1 PHE B 75 0.326 22.273 3.320 1.00 0.00 C ATOM 1167 CD2 PHE B 75 0.649 19.939 2.998 1.00 0.00 C ATOM 1168 CE1 PHE B 75 1.433 22.317 4.145 1.00 0.00 C ATOM 1169 CE2 PHE B 75 1.757 19.973 3.821 1.00 0.00 C ATOM 1170 CZ PHE B 75 2.151 21.163 4.395 1.00 0.00 C ATOM 0 H PHE B 75 -2.306 19.753 3.598 1.00 0.00 H new ATOM 0 HA PHE B 75 -2.392 22.481 3.014 1.00 0.00 H new ATOM 0 HB2 PHE B 75 -1.426 20.015 1.499 1.00 0.00 H new ATOM 0 HB3 PHE B 75 -1.094 21.651 0.967 1.00 0.00 H new ATOM 0 HD1 PHE B 75 -0.231 23.177 3.125 1.00 0.00 H new ATOM 0 HD2 PHE B 75 0.347 19.004 2.550 1.00 0.00 H new ATOM 0 HE1 PHE B 75 1.737 23.251 4.594 1.00 0.00 H new ATOM 0 HE2 PHE B 75 2.314 19.069 4.015 1.00 0.00 H new ATOM 0 HZ PHE B 75 3.018 21.193 5.038 1.00 0.00 H new ATOM 1180 N PRO B 76 -3.494 22.655 0.521 1.00 0.00 N ATOM 1181 CA PRO B 76 -4.508 22.958 -0.497 1.00 0.00 C ATOM 1182 C PRO B 76 -4.783 21.792 -1.445 1.00 0.00 C ATOM 1183 O PRO B 76 -4.134 20.745 -1.382 1.00 0.00 O ATOM 1184 CB PRO B 76 -3.914 24.145 -1.262 1.00 0.00 C ATOM 1185 CG PRO B 76 -2.446 24.053 -1.032 1.00 0.00 C ATOM 1186 CD PRO B 76 -2.273 23.450 0.334 1.00 0.00 C ATOM 0 HA PRO B 76 -5.474 23.168 -0.038 1.00 0.00 H new ATOM 0 HB2 PRO B 76 -4.152 24.089 -2.324 1.00 0.00 H new ATOM 0 HB3 PRO B 76 -4.313 25.091 -0.895 1.00 0.00 H new ATOM 0 HG2 PRO B 76 -1.971 23.435 -1.794 1.00 0.00 H new ATOM 0 HG3 PRO B 76 -1.981 25.038 -1.085 1.00 0.00 H new ATOM 0 HD2 PRO B 76 -1.379 22.829 0.387 1.00 0.00 H new ATOM 0 HD3 PRO B 76 -2.174 24.218 1.101 1.00 0.00 H new ATOM 1194 N ASN B 77 -5.755 21.983 -2.324 1.00 0.00 N ATOM 1195 CA ASN B 77 -6.134 20.956 -3.286 1.00 0.00 C ATOM 1196 C ASN B 77 -5.626 21.307 -4.674 1.00 0.00 C ATOM 1197 O ASN B 77 -5.626 22.474 -5.065 1.00 0.00 O ATOM 1198 CB ASN B 77 -7.652 20.799 -3.337 1.00 0.00 C ATOM 1199 CG ASN B 77 -8.250 20.424 -1.999 1.00 0.00 C ATOM 1200 OD1 ASN B 77 -7.889 19.404 -1.409 1.00 0.00 O ATOM 1201 ND2 ASN B 77 -9.167 21.246 -1.506 1.00 0.00 N ATOM 0 H ASN B 77 -6.299 22.843 -2.392 1.00 0.00 H new ATOM 0 HA ASN B 77 -5.684 20.018 -2.963 1.00 0.00 H new ATOM 0 HB2 ASN B 77 -8.098 21.733 -3.680 1.00 0.00 H new ATOM 0 HB3 ASN B 77 -7.909 20.035 -4.071 1.00 0.00 H new ATOM 0 HD21 ASN B 77 -9.602 21.044 -0.606 1.00 0.00 H new ATOM 0 HD22 ASN B 77 -9.437 22.080 -2.027 1.00 0.00 H new ATOM 1208 N GLY B 78 -5.206 20.294 -5.422 1.00 0.00 N ATOM 1209 CA GLY B 78 -4.721 20.521 -6.769 1.00 0.00 C ATOM 1210 C GLY B 78 -5.813 20.321 -7.796 1.00 0.00 C ATOM 1211 O GLY B 78 -6.207 21.263 -8.484 1.00 0.00 O ATOM 0 H GLY B 78 -5.193 19.320 -5.120 1.00 0.00 H new ATOM 0 HA2 GLY B 78 -4.327 21.534 -6.848 1.00 0.00 H new ATOM 0 HA3 GLY B 78 -3.895 19.841 -6.978 1.00 0.00 H new ATOM 1215 N GLY B 79 -6.322 19.098 -7.878 1.00 0.00 N ATOM 1216 CA GLY B 79 -7.395 18.807 -8.806 1.00 0.00 C ATOM 1217 C GLY B 79 -8.733 18.874 -8.111 1.00 0.00 C ATOM 1218 O GLY B 79 -9.466 19.853 -8.250 1.00 0.00 O ATOM 0 H GLY B 79 -6.011 18.304 -7.319 1.00 0.00 H new ATOM 0 HA2 GLY B 79 -7.372 19.519 -9.631 1.00 0.00 H new ATOM 0 HA3 GLY B 79 -7.252 17.816 -9.236 1.00 0.00 H new ATOM 1222 N ILE B 80 -9.034 17.848 -7.329 1.00 0.00 N ATOM 1223 CA ILE B 80 -10.270 17.797 -6.572 1.00 0.00 C ATOM 1224 C ILE B 80 -9.948 17.568 -5.100 1.00 0.00 C ATOM 1225 O ILE B 80 -10.094 18.512 -4.301 1.00 0.00 O ATOM 1226 CB ILE B 80 -11.231 16.682 -7.060 1.00 0.00 C ATOM 1227 CG1 ILE B 80 -11.534 16.808 -8.557 1.00 0.00 C ATOM 1228 CG2 ILE B 80 -12.526 16.723 -6.270 1.00 0.00 C ATOM 1229 CD1 ILE B 80 -10.528 16.110 -9.444 1.00 0.00 C ATOM 1230 OXT ILE B 80 -9.533 16.444 -4.757 1.00 0.00 O ATOM 0 H ILE B 80 -8.432 17.034 -7.204 1.00 0.00 H new ATOM 0 HA ILE B 80 -10.777 18.750 -6.720 1.00 0.00 H new ATOM 0 HB ILE B 80 -10.733 15.726 -6.897 1.00 0.00 H new ATOM 0 HG12 ILE B 80 -12.524 16.397 -8.754 1.00 0.00 H new ATOM 0 HG13 ILE B 80 -11.568 17.864 -8.824 1.00 0.00 H new ATOM 0 HG21 ILE B 80 -13.192 15.935 -6.622 1.00 0.00 H new ATOM 0 HG22 ILE B 80 -12.312 16.571 -5.212 1.00 0.00 H new ATOM 0 HG23 ILE B 80 -13.006 17.692 -6.408 1.00 0.00 H new ATOM 0 HD11 ILE B 80 -10.809 16.244 -10.489 1.00 0.00 H new ATOM 0 HD12 ILE B 80 -9.539 16.536 -9.277 1.00 0.00 H new ATOM 0 HD13 ILE B 80 -10.510 15.046 -9.206 1.00 0.00 H new TER 1242 ILE B 80 ATOM 1243 N GLY C 81 -7.338 -28.557 -1.490 1.00 0.00 N ATOM 1244 CA GLY C 81 -6.384 -29.103 -2.485 1.00 0.00 C ATOM 1245 C GLY C 81 -5.498 -28.027 -3.079 1.00 0.00 C ATOM 1246 O GLY C 81 -5.581 -26.862 -2.688 1.00 0.00 O ATOM 0 HA2 GLY C 81 -5.762 -29.862 -2.011 1.00 0.00 H new ATOM 0 HA3 GLY C 81 -6.938 -29.597 -3.283 1.00 0.00 H new ATOM 1252 N LEU C 82 -4.654 -28.412 -4.031 1.00 0.00 N ATOM 1253 CA LEU C 82 -3.753 -27.473 -4.688 1.00 0.00 C ATOM 1254 C LEU C 82 -4.544 -26.357 -5.383 1.00 0.00 C ATOM 1255 O LEU C 82 -4.252 -25.187 -5.160 1.00 0.00 O ATOM 1256 CB LEU C 82 -2.831 -28.227 -5.668 1.00 0.00 C ATOM 1257 CG LEU C 82 -1.675 -27.424 -6.276 1.00 0.00 C ATOM 1258 CD1 LEU C 82 -2.163 -26.551 -7.414 1.00 0.00 C ATOM 1259 CD2 LEU C 82 -0.980 -26.586 -5.215 1.00 0.00 C ATOM 0 H LEU C 82 -4.576 -29.372 -4.366 1.00 0.00 H new ATOM 0 HA LEU C 82 -3.123 -26.996 -3.938 1.00 0.00 H new ATOM 0 HB2 LEU C 82 -2.412 -29.088 -5.148 1.00 0.00 H new ATOM 0 HB3 LEU C 82 -3.443 -28.614 -6.483 1.00 0.00 H new ATOM 0 HG LEU C 82 -0.950 -28.131 -6.678 1.00 0.00 H new ATOM 0 HD11 LEU C 82 -1.325 -25.991 -7.829 1.00 0.00 H new ATOM 0 HD12 LEU C 82 -2.601 -27.177 -8.191 1.00 0.00 H new ATOM 0 HD13 LEU C 82 -2.915 -25.855 -7.042 1.00 0.00 H new ATOM 0 HD21 LEU C 82 -0.164 -26.026 -5.671 1.00 0.00 H new ATOM 0 HD22 LEU C 82 -1.695 -25.891 -4.774 1.00 0.00 H new ATOM 0 HD23 LEU C 82 -0.582 -27.239 -4.438 1.00 0.00 H new ATOM 1271 N PRO C 83 -5.534 -26.693 -6.257 1.00 0.00 N ATOM 1272 CA PRO C 83 -6.333 -25.702 -6.979 1.00 0.00 C ATOM 1273 C PRO C 83 -6.769 -24.520 -6.106 1.00 0.00 C ATOM 1274 O PRO C 83 -6.693 -23.368 -6.522 1.00 0.00 O ATOM 1275 CB PRO C 83 -7.563 -26.483 -7.425 1.00 0.00 C ATOM 1276 CG PRO C 83 -7.129 -27.902 -7.519 1.00 0.00 C ATOM 1277 CD PRO C 83 -5.907 -28.058 -6.649 1.00 0.00 C ATOM 0 HA PRO C 83 -5.757 -25.260 -7.792 1.00 0.00 H new ATOM 0 HB2 PRO C 83 -8.378 -26.370 -6.711 1.00 0.00 H new ATOM 0 HB3 PRO C 83 -7.929 -26.121 -8.386 1.00 0.00 H new ATOM 0 HG2 PRO C 83 -7.924 -28.569 -7.187 1.00 0.00 H new ATOM 0 HG3 PRO C 83 -6.901 -28.166 -8.552 1.00 0.00 H new ATOM 0 HD2 PRO C 83 -6.122 -28.673 -5.775 1.00 0.00 H new ATOM 0 HD3 PRO C 83 -5.098 -28.547 -7.192 1.00 0.00 H new ATOM 1285 N ASP C 84 -7.227 -24.829 -4.890 1.00 0.00 N ATOM 1286 CA ASP C 84 -7.682 -23.816 -3.930 1.00 0.00 C ATOM 1287 C ASP C 84 -6.537 -22.893 -3.540 1.00 0.00 C ATOM 1288 O ASP C 84 -6.701 -21.673 -3.474 1.00 0.00 O ATOM 1289 CB ASP C 84 -8.231 -24.494 -2.670 1.00 0.00 C ATOM 1290 CG ASP C 84 -9.263 -25.547 -2.984 1.00 0.00 C ATOM 1291 OD1 ASP C 84 -10.334 -25.194 -3.508 1.00 0.00 O ATOM 1292 OD2 ASP C 84 -8.996 -26.733 -2.722 1.00 0.00 O ATOM 0 H ASP C 84 -7.293 -25.786 -4.542 1.00 0.00 H new ATOM 0 HA ASP C 84 -8.468 -23.229 -4.404 1.00 0.00 H new ATOM 0 HB2 ASP C 84 -7.408 -24.949 -2.119 1.00 0.00 H new ATOM 0 HB3 ASP C 84 -8.673 -23.740 -2.019 1.00 0.00 H new ATOM 1297 N VAL C 85 -5.379 -23.490 -3.297 1.00 0.00 N ATOM 1298 CA VAL C 85 -4.182 -22.744 -2.934 1.00 0.00 C ATOM 1299 C VAL C 85 -3.794 -21.802 -4.070 1.00 0.00 C ATOM 1300 O VAL C 85 -3.511 -20.623 -3.849 1.00 0.00 O ATOM 1301 CB VAL C 85 -3.009 -23.703 -2.634 1.00 0.00 C ATOM 1302 CG1 VAL C 85 -1.779 -22.938 -2.179 1.00 0.00 C ATOM 1303 CG2 VAL C 85 -3.414 -24.734 -1.595 1.00 0.00 C ATOM 0 H VAL C 85 -5.243 -24.500 -3.345 1.00 0.00 H new ATOM 0 HA VAL C 85 -4.397 -22.165 -2.036 1.00 0.00 H new ATOM 0 HB VAL C 85 -2.756 -24.224 -3.557 1.00 0.00 H new ATOM 0 HG11 VAL C 85 -0.969 -23.639 -1.975 1.00 0.00 H new ATOM 0 HG12 VAL C 85 -1.471 -22.246 -2.962 1.00 0.00 H new ATOM 0 HG13 VAL C 85 -2.013 -22.380 -1.272 1.00 0.00 H new ATOM 0 HG21 VAL C 85 -2.574 -25.400 -1.397 1.00 0.00 H new ATOM 0 HG22 VAL C 85 -3.701 -24.228 -0.673 1.00 0.00 H new ATOM 0 HG23 VAL C 85 -4.258 -25.314 -1.968 1.00 0.00 H new ATOM 1313 N ALA C 86 -3.801 -22.331 -5.290 1.00 0.00 N ATOM 1314 CA ALA C 86 -3.460 -21.542 -6.468 1.00 0.00 C ATOM 1315 C ALA C 86 -4.511 -20.473 -6.738 1.00 0.00 C ATOM 1316 O ALA C 86 -4.209 -19.430 -7.312 1.00 0.00 O ATOM 1317 CB ALA C 86 -3.266 -22.440 -7.678 1.00 0.00 C ATOM 0 H ALA C 86 -4.039 -23.303 -5.488 1.00 0.00 H new ATOM 0 HA ALA C 86 -2.517 -21.032 -6.271 1.00 0.00 H new ATOM 0 HB1 ALA C 86 -3.012 -21.831 -8.546 1.00 0.00 H new ATOM 0 HB2 ALA C 86 -2.459 -23.146 -7.482 1.00 0.00 H new ATOM 0 HB3 ALA C 86 -4.187 -22.988 -7.876 1.00 0.00 H new ATOM 1323 N SER C 87 -5.737 -20.716 -6.293 1.00 0.00 N ATOM 1324 CA SER C 87 -6.813 -19.746 -6.459 1.00 0.00 C ATOM 1325 C SER C 87 -6.509 -18.508 -5.617 1.00 0.00 C ATOM 1326 O SER C 87 -6.897 -17.381 -5.952 1.00 0.00 O ATOM 1327 CB SER C 87 -8.157 -20.355 -6.049 1.00 0.00 C ATOM 1328 OG SER C 87 -8.506 -21.448 -6.889 1.00 0.00 O ATOM 0 H SER C 87 -6.011 -21.574 -5.815 1.00 0.00 H new ATOM 0 HA SER C 87 -6.880 -19.462 -7.509 1.00 0.00 H new ATOM 0 HB2 SER C 87 -8.106 -20.691 -5.013 1.00 0.00 H new ATOM 0 HB3 SER C 87 -8.934 -19.593 -6.098 1.00 0.00 H new ATOM 0 HG SER C 87 -8.060 -22.261 -6.571 1.00 0.00 H new ATOM 1334 N LEU C 88 -5.779 -18.718 -4.530 1.00 0.00 N ATOM 1335 CA LEU C 88 -5.407 -17.621 -3.669 1.00 0.00 C ATOM 1336 C LEU C 88 -4.286 -16.810 -4.308 1.00 0.00 C ATOM 1337 O LEU C 88 -4.158 -15.626 -4.040 1.00 0.00 O ATOM 1338 CB LEU C 88 -5.006 -18.134 -2.283 1.00 0.00 C ATOM 1339 CG LEU C 88 -4.547 -17.057 -1.299 1.00 0.00 C ATOM 1340 CD1 LEU C 88 -5.610 -15.978 -1.136 1.00 0.00 C ATOM 1341 CD2 LEU C 88 -4.206 -17.676 0.046 1.00 0.00 C ATOM 0 H LEU C 88 -5.439 -19.632 -4.231 1.00 0.00 H new ATOM 0 HA LEU C 88 -6.268 -16.966 -3.540 1.00 0.00 H new ATOM 0 HB2 LEU C 88 -5.855 -18.662 -1.849 1.00 0.00 H new ATOM 0 HB3 LEU C 88 -4.203 -18.862 -2.401 1.00 0.00 H new ATOM 0 HG LEU C 88 -3.650 -16.589 -1.704 1.00 0.00 H new ATOM 0 HD11 LEU C 88 -5.259 -15.225 -0.431 1.00 0.00 H new ATOM 0 HD12 LEU C 88 -5.804 -15.510 -2.101 1.00 0.00 H new ATOM 0 HD13 LEU C 88 -6.529 -16.427 -0.759 1.00 0.00 H new ATOM 0 HD21 LEU C 88 -3.881 -16.895 0.734 1.00 0.00 H new ATOM 0 HD22 LEU C 88 -5.087 -18.173 0.451 1.00 0.00 H new ATOM 0 HD23 LEU C 88 -3.405 -18.404 -0.081 1.00 0.00 H new ATOM 1353 N ARG C 89 -3.506 -17.440 -5.183 1.00 0.00 N ATOM 1354 CA ARG C 89 -2.426 -16.738 -5.890 1.00 0.00 C ATOM 1355 C ARG C 89 -3.030 -15.688 -6.805 1.00 0.00 C ATOM 1356 O ARG C 89 -2.472 -14.612 -6.980 1.00 0.00 O ATOM 1357 CB ARG C 89 -1.609 -17.702 -6.765 1.00 0.00 C ATOM 1358 CG ARG C 89 -1.294 -19.040 -6.120 1.00 0.00 C ATOM 1359 CD ARG C 89 -0.343 -18.895 -4.953 1.00 0.00 C ATOM 1360 NE ARG C 89 0.899 -18.208 -5.334 1.00 0.00 N ATOM 1361 CZ ARG C 89 1.857 -18.751 -6.093 1.00 0.00 C ATOM 1362 NH1 ARG C 89 1.765 -20.013 -6.485 1.00 0.00 N ATOM 1363 NH2 ARG C 89 2.922 -18.037 -6.433 1.00 0.00 N ATOM 0 H ARG C 89 -3.596 -18.428 -5.422 1.00 0.00 H new ATOM 0 HA ARG C 89 -1.774 -16.290 -5.141 1.00 0.00 H new ATOM 0 HB2 ARG C 89 -2.156 -17.881 -7.691 1.00 0.00 H new ATOM 0 HB3 ARG C 89 -0.672 -17.217 -7.037 1.00 0.00 H new ATOM 0 HG2 ARG C 89 -2.219 -19.505 -5.779 1.00 0.00 H new ATOM 0 HG3 ARG C 89 -0.857 -19.707 -6.863 1.00 0.00 H new ATOM 0 HD2 ARG C 89 -0.833 -18.340 -4.153 1.00 0.00 H new ATOM 0 HD3 ARG C 89 -0.104 -19.882 -4.556 1.00 0.00 H new ATOM 0 HE ARG C 89 1.040 -17.255 -4.998 1.00 0.00 H new ATOM 0 HH11 ARG C 89 0.961 -20.576 -6.208 1.00 0.00 H new ATOM 0 HH12 ARG C 89 2.499 -20.422 -7.064 1.00 0.00 H new ATOM 0 HH21 ARG C 89 3.012 -17.072 -6.115 1.00 0.00 H new ATOM 0 HH22 ARG C 89 3.651 -18.453 -7.012 1.00 0.00 H new ATOM 1377 N GLN C 90 -4.181 -16.010 -7.384 1.00 0.00 N ATOM 1378 CA GLN C 90 -4.865 -15.083 -8.271 1.00 0.00 C ATOM 1379 C GLN C 90 -5.352 -13.899 -7.459 1.00 0.00 C ATOM 1380 O GLN C 90 -5.206 -12.748 -7.869 1.00 0.00 O ATOM 1381 CB GLN C 90 -6.041 -15.764 -8.969 1.00 0.00 C ATOM 1382 CG GLN C 90 -6.079 -17.266 -8.769 1.00 0.00 C ATOM 1383 CD GLN C 90 -7.253 -17.912 -9.472 1.00 0.00 C ATOM 1384 OE1 GLN C 90 -8.408 -17.591 -9.192 1.00 0.00 O ATOM 1385 NE2 GLN C 90 -6.966 -18.828 -10.384 1.00 0.00 N ATOM 0 H GLN C 90 -4.657 -16.903 -7.255 1.00 0.00 H new ATOM 0 HA GLN C 90 -4.171 -14.745 -9.041 1.00 0.00 H new ATOM 0 HB2 GLN C 90 -6.971 -15.333 -8.599 1.00 0.00 H new ATOM 0 HB3 GLN C 90 -5.993 -15.549 -10.037 1.00 0.00 H new ATOM 0 HG2 GLN C 90 -5.152 -17.703 -9.140 1.00 0.00 H new ATOM 0 HG3 GLN C 90 -6.131 -17.487 -7.703 1.00 0.00 H new ATOM 0 HE21 GLN C 90 -5.993 -19.062 -10.583 1.00 0.00 H new ATOM 0 HE22 GLN C 90 -7.717 -19.300 -10.887 1.00 0.00 H new ATOM 1394 N GLN C 91 -5.910 -14.190 -6.285 1.00 0.00 N ATOM 1395 CA GLN C 91 -6.384 -13.136 -5.400 1.00 0.00 C ATOM 1396 C GLN C 91 -5.205 -12.272 -4.947 1.00 0.00 C ATOM 1397 O GLN C 91 -5.354 -11.065 -4.738 1.00 0.00 O ATOM 1398 CB GLN C 91 -7.102 -13.731 -4.181 1.00 0.00 C ATOM 1399 CG GLN C 91 -7.872 -12.702 -3.365 1.00 0.00 C ATOM 1400 CD GLN C 91 -8.438 -13.265 -2.074 1.00 0.00 C ATOM 1401 OE1 GLN C 91 -9.122 -14.287 -2.077 1.00 0.00 O ATOM 1402 NE2 GLN C 91 -8.167 -12.595 -0.963 1.00 0.00 N ATOM 0 H GLN C 91 -6.043 -15.137 -5.930 1.00 0.00 H new ATOM 0 HA GLN C 91 -7.095 -12.516 -5.946 1.00 0.00 H new ATOM 0 HB2 GLN C 91 -7.792 -14.505 -4.518 1.00 0.00 H new ATOM 0 HB3 GLN C 91 -6.368 -14.216 -3.538 1.00 0.00 H new ATOM 0 HG2 GLN C 91 -7.213 -11.866 -3.131 1.00 0.00 H new ATOM 0 HG3 GLN C 91 -8.688 -12.305 -3.969 1.00 0.00 H new ATOM 0 HE21 GLN C 91 -7.595 -11.751 -1.003 1.00 0.00 H new ATOM 0 HE22 GLN C 91 -8.530 -12.923 -0.068 1.00 0.00 H new ATOM 1411 N VAL C 92 -4.022 -12.882 -4.806 1.00 0.00 N ATOM 1412 CA VAL C 92 -2.854 -12.124 -4.390 1.00 0.00 C ATOM 1413 C VAL C 92 -2.330 -11.268 -5.530 1.00 0.00 C ATOM 1414 O VAL C 92 -1.677 -10.264 -5.289 1.00 0.00 O ATOM 1415 CB VAL C 92 -1.687 -12.956 -3.785 1.00 0.00 C ATOM 1416 CG1 VAL C 92 -2.142 -13.903 -2.698 1.00 0.00 C ATOM 1417 CG2 VAL C 92 -0.787 -13.612 -4.807 1.00 0.00 C ATOM 0 H VAL C 92 -3.857 -13.875 -4.971 1.00 0.00 H new ATOM 0 HA VAL C 92 -3.221 -11.503 -3.573 1.00 0.00 H new ATOM 0 HB VAL C 92 -1.048 -12.219 -3.300 1.00 0.00 H new ATOM 0 HG11 VAL C 92 -1.284 -14.456 -2.315 1.00 0.00 H new ATOM 0 HG12 VAL C 92 -2.599 -13.335 -1.888 1.00 0.00 H new ATOM 0 HG13 VAL C 92 -2.871 -14.603 -3.107 1.00 0.00 H new ATOM 0 HG21 VAL C 92 -0.003 -14.170 -4.296 1.00 0.00 H new ATOM 0 HG22 VAL C 92 -1.373 -14.293 -5.425 1.00 0.00 H new ATOM 0 HG23 VAL C 92 -0.335 -12.847 -5.438 1.00 0.00 H new ATOM 1427 N GLU C 93 -2.638 -11.645 -6.766 1.00 0.00 N ATOM 1428 CA GLU C 93 -2.212 -10.854 -7.920 1.00 0.00 C ATOM 1429 C GLU C 93 -2.965 -9.532 -7.901 1.00 0.00 C ATOM 1430 O GLU C 93 -2.464 -8.494 -8.337 1.00 0.00 O ATOM 1431 CB GLU C 93 -2.473 -11.591 -9.234 1.00 0.00 C ATOM 1432 CG GLU C 93 -1.700 -12.890 -9.371 1.00 0.00 C ATOM 1433 CD GLU C 93 -1.930 -13.562 -10.703 1.00 0.00 C ATOM 1434 OE1 GLU C 93 -3.092 -13.882 -11.019 1.00 0.00 O ATOM 1435 OE2 GLU C 93 -0.948 -13.759 -11.443 1.00 0.00 O ATOM 0 H GLU C 93 -3.174 -12.482 -6.996 1.00 0.00 H new ATOM 0 HA GLU C 93 -1.138 -10.681 -7.855 1.00 0.00 H new ATOM 0 HB2 GLU C 93 -3.539 -11.803 -9.315 1.00 0.00 H new ATOM 0 HB3 GLU C 93 -2.214 -10.935 -10.065 1.00 0.00 H new ATOM 0 HG2 GLU C 93 -0.636 -12.690 -9.247 1.00 0.00 H new ATOM 0 HG3 GLU C 93 -1.992 -13.569 -8.570 1.00 0.00 H new ATOM 1442 N ALA C 94 -4.164 -9.590 -7.351 1.00 0.00 N ATOM 1443 CA ALA C 94 -5.017 -8.425 -7.206 1.00 0.00 C ATOM 1444 C ALA C 94 -4.437 -7.479 -6.174 1.00 0.00 C ATOM 1445 O ALA C 94 -4.216 -6.298 -6.444 1.00 0.00 O ATOM 1446 CB ALA C 94 -6.388 -8.864 -6.756 1.00 0.00 C ATOM 0 H ALA C 94 -4.575 -10.451 -6.991 1.00 0.00 H new ATOM 0 HA ALA C 94 -5.084 -7.913 -8.166 1.00 0.00 H new ATOM 0 HB1 ALA C 94 -7.032 -7.991 -6.646 1.00 0.00 H new ATOM 0 HB2 ALA C 94 -6.815 -9.539 -7.497 1.00 0.00 H new ATOM 0 HB3 ALA C 94 -6.309 -9.380 -5.799 1.00 0.00 H new ATOM 1452 N LEU C 95 -4.204 -8.024 -4.983 1.00 0.00 N ATOM 1453 CA LEU C 95 -3.653 -7.256 -3.871 1.00 0.00 C ATOM 1454 C LEU C 95 -2.297 -6.662 -4.216 1.00 0.00 C ATOM 1455 O LEU C 95 -1.995 -5.535 -3.826 1.00 0.00 O ATOM 1456 CB LEU C 95 -3.538 -8.128 -2.613 1.00 0.00 C ATOM 1457 CG LEU C 95 -4.777 -8.151 -1.712 1.00 0.00 C ATOM 1458 CD1 LEU C 95 -5.199 -6.734 -1.368 1.00 0.00 C ATOM 1459 CD2 LEU C 95 -5.922 -8.903 -2.371 1.00 0.00 C ATOM 0 H LEU C 95 -4.390 -9.002 -4.763 1.00 0.00 H new ATOM 0 HA LEU C 95 -4.341 -6.434 -3.673 1.00 0.00 H new ATOM 0 HB2 LEU C 95 -3.314 -9.150 -2.919 1.00 0.00 H new ATOM 0 HB3 LEU C 95 -2.689 -7.778 -2.026 1.00 0.00 H new ATOM 0 HG LEU C 95 -4.519 -8.676 -0.792 1.00 0.00 H new ATOM 0 HD11 LEU C 95 -6.080 -6.762 -0.727 1.00 0.00 H new ATOM 0 HD12 LEU C 95 -4.387 -6.229 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU C 95 -5.433 -6.192 -2.284 1.00 0.00 H new ATOM 0 HD21 LEU C 95 -6.787 -8.902 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU C 95 -6.184 -8.416 -3.310 1.00 0.00 H new ATOM 0 HD23 LEU C 95 -5.617 -9.931 -2.568 1.00 0.00 H new ATOM 1471 N GLN C 96 -1.485 -7.414 -4.951 1.00 0.00 N ATOM 1472 CA GLN C 96 -0.160 -6.926 -5.331 1.00 0.00 C ATOM 1473 C GLN C 96 -0.276 -5.866 -6.412 1.00 0.00 C ATOM 1474 O GLN C 96 0.554 -4.966 -6.490 1.00 0.00 O ATOM 1475 CB GLN C 96 0.773 -8.064 -5.778 1.00 0.00 C ATOM 1476 CG GLN C 96 0.416 -8.719 -7.099 1.00 0.00 C ATOM 1477 CD GLN C 96 1.454 -9.729 -7.529 1.00 0.00 C ATOM 1478 OE1 GLN C 96 1.045 -10.977 -7.680 1.00 0.00 O flip ATOM 1479 NE2 GLN C 96 2.624 -9.390 -7.706 1.00 0.00 N flip ATOM 0 H GLN C 96 -1.713 -8.348 -5.292 1.00 0.00 H new ATOM 0 HA GLN C 96 0.289 -6.478 -4.445 1.00 0.00 H new ATOM 0 HB2 GLN C 96 1.788 -7.672 -5.849 1.00 0.00 H new ATOM 0 HB3 GLN C 96 0.781 -8.830 -5.003 1.00 0.00 H new ATOM 0 HG2 GLN C 96 -0.553 -9.210 -7.010 1.00 0.00 H new ATOM 0 HG3 GLN C 96 0.315 -7.953 -7.868 1.00 0.00 H new ATOM 0 HE21 GLN C 96 2.897 -8.416 -7.579 1.00 0.00 H new ATOM 0 HE22 GLN C 96 3.320 -10.083 -7.980 1.00 0.00 H new ATOM 1488 N GLY C 97 -1.330 -5.946 -7.215 1.00 0.00 N ATOM 1489 CA GLY C 97 -1.537 -4.944 -8.236 1.00 0.00 C ATOM 1490 C GLY C 97 -1.848 -3.607 -7.603 1.00 0.00 C ATOM 1491 O GLY C 97 -1.467 -2.546 -8.108 1.00 0.00 O ATOM 0 H GLY C 97 -2.037 -6.680 -7.177 1.00 0.00 H new ATOM 0 HA2 GLY C 97 -0.647 -4.861 -8.859 1.00 0.00 H new ATOM 0 HA3 GLY C 97 -2.356 -5.244 -8.889 1.00 0.00 H new ATOM 1495 N GLN C 98 -2.524 -3.666 -6.468 1.00 0.00 N ATOM 1496 CA GLN C 98 -2.872 -2.469 -5.737 1.00 0.00 C ATOM 1497 C GLN C 98 -1.625 -1.839 -5.122 1.00 0.00 C ATOM 1498 O GLN C 98 -1.426 -0.639 -5.239 1.00 0.00 O ATOM 1499 CB GLN C 98 -3.898 -2.779 -4.647 1.00 0.00 C ATOM 1500 CG GLN C 98 -5.158 -3.465 -5.153 1.00 0.00 C ATOM 1501 CD GLN C 98 -5.860 -2.664 -6.229 1.00 0.00 C ATOM 1502 OE1 GLN C 98 -6.223 -1.509 -6.019 1.00 0.00 O ATOM 1503 NE2 GLN C 98 -6.051 -3.272 -7.391 1.00 0.00 N ATOM 0 H GLN C 98 -2.841 -4.534 -6.036 1.00 0.00 H new ATOM 0 HA GLN C 98 -3.315 -1.760 -6.436 1.00 0.00 H new ATOM 0 HB2 GLN C 98 -3.430 -3.413 -3.893 1.00 0.00 H new ATOM 0 HB3 GLN C 98 -4.178 -1.849 -4.152 1.00 0.00 H new ATOM 0 HG2 GLN C 98 -4.900 -4.448 -5.546 1.00 0.00 H new ATOM 0 HG3 GLN C 98 -5.841 -3.625 -4.319 1.00 0.00 H new ATOM 0 HE21 GLN C 98 -5.733 -4.232 -7.522 1.00 0.00 H new ATOM 0 HE22 GLN C 98 -6.516 -2.780 -8.154 1.00 0.00 H new ATOM 1512 N VAL C 99 -0.784 -2.631 -4.468 1.00 0.00 N ATOM 1513 CA VAL C 99 0.426 -2.074 -3.858 1.00 0.00 C ATOM 1514 C VAL C 99 1.363 -1.495 -4.898 1.00 0.00 C ATOM 1515 O VAL C 99 1.951 -0.442 -4.680 1.00 0.00 O ATOM 1516 CB VAL C 99 1.283 -3.108 -3.102 1.00 0.00 C ATOM 1517 CG1 VAL C 99 1.654 -2.651 -1.709 1.00 0.00 C ATOM 1518 CG2 VAL C 99 0.700 -4.498 -3.134 1.00 0.00 C ATOM 0 H VAL C 99 -0.908 -3.636 -4.346 1.00 0.00 H new ATOM 0 HA VAL C 99 0.035 -1.324 -3.171 1.00 0.00 H new ATOM 0 HB VAL C 99 2.221 -3.177 -3.653 1.00 0.00 H new ATOM 0 HG11 VAL C 99 2.257 -3.418 -1.223 1.00 0.00 H new ATOM 0 HG12 VAL C 99 2.225 -1.725 -1.770 1.00 0.00 H new ATOM 0 HG13 VAL C 99 0.747 -2.481 -1.128 1.00 0.00 H new ATOM 0 HG21 VAL C 99 1.351 -5.178 -2.584 1.00 0.00 H new ATOM 0 HG22 VAL C 99 -0.288 -4.489 -2.673 1.00 0.00 H new ATOM 0 HG23 VAL C 99 0.615 -4.833 -4.168 1.00 0.00 H new ATOM 1528 N GLN C 100 1.552 -2.217 -5.997 1.00 0.00 N ATOM 1529 CA GLN C 100 2.478 -1.781 -7.033 1.00 0.00 C ATOM 1530 C GLN C 100 2.081 -0.424 -7.600 1.00 0.00 C ATOM 1531 O GLN C 100 2.931 0.452 -7.775 1.00 0.00 O ATOM 1532 CB GLN C 100 2.589 -2.817 -8.156 1.00 0.00 C ATOM 1533 CG GLN C 100 1.324 -2.984 -8.976 1.00 0.00 C ATOM 1534 CD GLN C 100 1.569 -3.792 -10.234 1.00 0.00 C ATOM 1535 OE1 GLN C 100 1.054 -5.011 -10.287 1.00 0.00 O flip ATOM 1536 NE2 GLN C 100 2.242 -3.321 -11.152 1.00 0.00 N flip ATOM 0 H GLN C 100 1.080 -3.100 -6.192 1.00 0.00 H new ATOM 0 HA GLN C 100 3.457 -1.680 -6.565 1.00 0.00 H new ATOM 0 HB2 GLN C 100 3.404 -2.530 -8.821 1.00 0.00 H new ATOM 0 HB3 GLN C 100 2.856 -3.780 -7.721 1.00 0.00 H new ATOM 0 HG2 GLN C 100 0.562 -3.476 -8.371 1.00 0.00 H new ATOM 0 HG3 GLN C 100 0.934 -2.003 -9.245 1.00 0.00 H new ATOM 0 HE21 GLN C 100 2.622 -2.378 -11.074 1.00 0.00 H new ATOM 0 HE22 GLN C 100 2.419 -3.874 -11.990 1.00 0.00 H new ATOM 1545 N HIS C 101 0.796 -0.227 -7.889 1.00 0.00 N ATOM 1546 CA HIS C 101 0.366 1.050 -8.431 1.00 0.00 C ATOM 1547 C HIS C 101 0.297 2.106 -7.325 1.00 0.00 C ATOM 1548 O HIS C 101 0.346 3.304 -7.601 1.00 0.00 O ATOM 1549 CB HIS C 101 -0.950 0.924 -9.205 1.00 0.00 C ATOM 1550 CG HIS C 101 -2.168 1.071 -8.393 1.00 0.00 C ATOM 1551 ND1 HIS C 101 -2.590 0.106 -7.546 1.00 0.00 N ATOM 1552 CD2 HIS C 101 -3.033 2.105 -8.267 1.00 0.00 C ATOM 1553 CE1 HIS C 101 -3.668 0.545 -6.932 1.00 0.00 C ATOM 1554 NE2 HIS C 101 -3.995 1.762 -7.326 1.00 0.00 N ATOM 0 H HIS C 101 0.056 -0.917 -7.760 1.00 0.00 H new ATOM 0 HA HIS C 101 1.111 1.383 -9.154 1.00 0.00 H new ATOM 0 HB2 HIS C 101 -0.964 1.677 -9.993 1.00 0.00 H new ATOM 0 HB3 HIS C 101 -0.974 -0.049 -9.695 1.00 0.00 H new ATOM 0 HD2 HIS C 101 -2.983 3.039 -8.807 1.00 0.00 H new ATOM 0 HE1 HIS C 101 -4.218 -0.021 -6.195 1.00 0.00 H new ATOM 0 HE2 HIS C 101 -4.783 2.327 -7.008 1.00 0.00 H new ATOM 1562 N LEU C 102 0.241 1.661 -6.070 1.00 0.00 N ATOM 1563 CA LEU C 102 0.240 2.596 -4.953 1.00 0.00 C ATOM 1564 C LEU C 102 1.618 3.216 -4.840 1.00 0.00 C ATOM 1565 O LEU C 102 1.756 4.405 -4.578 1.00 0.00 O ATOM 1566 CB LEU C 102 -0.137 1.934 -3.628 1.00 0.00 C ATOM 1567 CG LEU C 102 -1.617 1.595 -3.469 1.00 0.00 C ATOM 1568 CD1 LEU C 102 -1.937 1.290 -2.015 1.00 0.00 C ATOM 1569 CD2 LEU C 102 -2.485 2.730 -3.986 1.00 0.00 C ATOM 0 H LEU C 102 0.197 0.676 -5.807 1.00 0.00 H new ATOM 0 HA LEU C 102 -0.516 3.355 -5.152 1.00 0.00 H new ATOM 0 HB2 LEU C 102 0.443 1.017 -3.520 1.00 0.00 H new ATOM 0 HB3 LEU C 102 0.157 2.595 -2.813 1.00 0.00 H new ATOM 0 HG LEU C 102 -1.834 0.706 -4.062 1.00 0.00 H new ATOM 0 HD11 LEU C 102 -2.996 1.050 -1.918 1.00 0.00 H new ATOM 0 HD12 LEU C 102 -1.341 0.441 -1.682 1.00 0.00 H new ATOM 0 HD13 LEU C 102 -1.704 2.160 -1.401 1.00 0.00 H new ATOM 0 HD21 LEU C 102 -3.536 2.469 -3.864 1.00 0.00 H new ATOM 0 HD22 LEU C 102 -2.269 3.638 -3.424 1.00 0.00 H new ATOM 0 HD23 LEU C 102 -2.273 2.898 -5.042 1.00 0.00 H new ATOM 1581 N GLN C 103 2.635 2.393 -5.079 1.00 0.00 N ATOM 1582 CA GLN C 103 4.014 2.849 -5.044 1.00 0.00 C ATOM 1583 C GLN C 103 4.270 3.715 -6.266 1.00 0.00 C ATOM 1584 O GLN C 103 5.071 4.651 -6.232 1.00 0.00 O ATOM 1585 CB GLN C 103 4.984 1.663 -5.041 1.00 0.00 C ATOM 1586 CG GLN C 103 4.780 0.699 -3.883 1.00 0.00 C ATOM 1587 CD GLN C 103 5.623 -0.550 -4.009 1.00 0.00 C ATOM 1588 OE1 GLN C 103 5.433 -1.346 -4.929 1.00 0.00 O ATOM 1589 NE2 GLN C 103 6.558 -0.731 -3.090 1.00 0.00 N ATOM 0 H GLN C 103 2.525 1.403 -5.300 1.00 0.00 H new ATOM 0 HA GLN C 103 4.177 3.421 -4.131 1.00 0.00 H new ATOM 0 HB2 GLN C 103 4.876 1.117 -5.978 1.00 0.00 H new ATOM 0 HB3 GLN C 103 6.005 2.042 -5.009 1.00 0.00 H new ATOM 0 HG2 GLN C 103 5.023 1.204 -2.948 1.00 0.00 H new ATOM 0 HG3 GLN C 103 3.728 0.419 -3.830 1.00 0.00 H new ATOM 0 HE21 GLN C 103 6.680 -0.045 -2.345 1.00 0.00 H new ATOM 0 HE22 GLN C 103 7.156 -1.556 -3.127 1.00 0.00 H new ATOM 1598 N ALA C 104 3.547 3.398 -7.336 1.00 0.00 N ATOM 1599 CA ALA C 104 3.627 4.134 -8.589 1.00 0.00 C ATOM 1600 C ALA C 104 3.289 5.594 -8.341 1.00 0.00 C ATOM 1601 O ALA C 104 4.096 6.490 -8.605 1.00 0.00 O ATOM 1602 CB ALA C 104 2.650 3.536 -9.591 1.00 0.00 C ATOM 0 H ALA C 104 2.887 2.620 -7.356 1.00 0.00 H new ATOM 0 HA ALA C 104 4.638 4.065 -8.991 1.00 0.00 H new ATOM 0 HB1 ALA C 104 2.709 4.087 -10.530 1.00 0.00 H new ATOM 0 HB2 ALA C 104 2.903 2.491 -9.767 1.00 0.00 H new ATOM 0 HB3 ALA C 104 1.637 3.602 -9.195 1.00 0.00 H new ATOM 1608 N ALA C 105 2.096 5.814 -7.804 1.00 0.00 N ATOM 1609 CA ALA C 105 1.633 7.149 -7.479 1.00 0.00 C ATOM 1610 C ALA C 105 2.539 7.767 -6.422 1.00 0.00 C ATOM 1611 O ALA C 105 2.877 8.947 -6.485 1.00 0.00 O ATOM 1612 CB ALA C 105 0.190 7.102 -6.992 1.00 0.00 C ATOM 0 H ALA C 105 1.429 5.075 -7.584 1.00 0.00 H new ATOM 0 HA ALA C 105 1.670 7.769 -8.375 1.00 0.00 H new ATOM 0 HB1 ALA C 105 -0.146 8.111 -6.751 1.00 0.00 H new ATOM 0 HB2 ALA C 105 -0.445 6.685 -7.774 1.00 0.00 H new ATOM 0 HB3 ALA C 105 0.127 6.476 -6.102 1.00 0.00 H new ATOM 1618 N PHE C 106 2.930 6.937 -5.458 1.00 0.00 N ATOM 1619 CA PHE C 106 3.806 7.341 -4.356 1.00 0.00 C ATOM 1620 C PHE C 106 5.118 7.930 -4.847 1.00 0.00 C ATOM 1621 O PHE C 106 5.737 8.715 -4.146 1.00 0.00 O ATOM 1622 CB PHE C 106 4.102 6.134 -3.466 1.00 0.00 C ATOM 1623 CG PHE C 106 3.766 6.334 -2.015 1.00 0.00 C ATOM 1624 CD1 PHE C 106 3.476 7.596 -1.516 1.00 0.00 C ATOM 1625 CD2 PHE C 106 3.738 5.251 -1.146 1.00 0.00 C ATOM 1626 CE1 PHE C 106 3.166 7.768 -0.182 1.00 0.00 C ATOM 1627 CE2 PHE C 106 3.426 5.426 0.189 1.00 0.00 C ATOM 1628 CZ PHE C 106 3.140 6.682 0.669 1.00 0.00 C ATOM 0 H PHE C 106 2.647 5.958 -5.417 1.00 0.00 H new ATOM 0 HA PHE C 106 3.283 8.114 -3.793 1.00 0.00 H new ATOM 0 HB2 PHE C 106 3.543 5.276 -3.841 1.00 0.00 H new ATOM 0 HB3 PHE C 106 5.160 5.887 -3.550 1.00 0.00 H new ATOM 0 HD1 PHE C 106 3.493 8.450 -2.177 1.00 0.00 H new ATOM 0 HD2 PHE C 106 3.962 4.262 -1.517 1.00 0.00 H new ATOM 0 HE1 PHE C 106 2.943 8.755 0.197 1.00 0.00 H new ATOM 0 HE2 PHE C 106 3.407 4.576 0.855 1.00 0.00 H new ATOM 0 HZ PHE C 106 2.895 6.819 1.712 1.00 0.00 H new ATOM 1638 N SER C 107 5.545 7.550 -6.045 1.00 0.00 N ATOM 1639 CA SER C 107 6.795 8.054 -6.599 1.00 0.00 C ATOM 1640 C SER C 107 6.750 9.581 -6.739 1.00 0.00 C ATOM 1641 O SER C 107 7.776 10.254 -6.664 1.00 0.00 O ATOM 1642 CB SER C 107 7.074 7.381 -7.947 1.00 0.00 C ATOM 1643 OG SER C 107 8.390 7.659 -8.399 1.00 0.00 O ATOM 0 H SER C 107 5.046 6.897 -6.649 1.00 0.00 H new ATOM 0 HA SER C 107 7.609 7.811 -5.917 1.00 0.00 H new ATOM 0 HB2 SER C 107 6.940 6.303 -7.853 1.00 0.00 H new ATOM 0 HB3 SER C 107 6.352 7.729 -8.686 1.00 0.00 H new ATOM 0 HG SER C 107 8.541 7.216 -9.260 1.00 0.00 H new ATOM 1649 N GLN C 108 5.548 10.124 -6.915 1.00 0.00 N ATOM 1650 CA GLN C 108 5.371 11.569 -7.041 1.00 0.00 C ATOM 1651 C GLN C 108 5.152 12.208 -5.678 1.00 0.00 C ATOM 1652 O GLN C 108 5.550 13.346 -5.445 1.00 0.00 O ATOM 1653 CB GLN C 108 4.178 11.887 -7.943 1.00 0.00 C ATOM 1654 CG GLN C 108 4.315 11.371 -9.365 1.00 0.00 C ATOM 1655 CD GLN C 108 5.390 12.087 -10.151 1.00 0.00 C ATOM 1656 OE1 GLN C 108 6.575 11.995 -9.830 1.00 0.00 O ATOM 1657 NE2 GLN C 108 4.982 12.806 -11.187 1.00 0.00 N ATOM 0 H GLN C 108 4.683 9.587 -6.974 1.00 0.00 H new ATOM 0 HA GLN C 108 6.279 11.977 -7.485 1.00 0.00 H new ATOM 0 HB2 GLN C 108 3.278 11.461 -7.499 1.00 0.00 H new ATOM 0 HB3 GLN C 108 4.038 12.968 -7.973 1.00 0.00 H new ATOM 0 HG2 GLN C 108 4.541 10.305 -9.339 1.00 0.00 H new ATOM 0 HG3 GLN C 108 3.361 11.482 -9.880 1.00 0.00 H new ATOM 0 HE21 GLN C 108 3.989 12.853 -11.416 1.00 0.00 H new ATOM 0 HE22 GLN C 108 5.661 13.312 -11.756 1.00 0.00 H new ATOM 1666 N TYR C 109 4.511 11.474 -4.786 1.00 0.00 N ATOM 1667 CA TYR C 109 4.230 11.973 -3.446 1.00 0.00 C ATOM 1668 C TYR C 109 5.466 11.869 -2.564 1.00 0.00 C ATOM 1669 O TYR C 109 5.553 12.506 -1.521 1.00 0.00 O ATOM 1670 CB TYR C 109 3.088 11.171 -2.841 1.00 0.00 C ATOM 1671 CG TYR C 109 1.891 11.113 -3.755 1.00 0.00 C ATOM 1672 CD1 TYR C 109 1.328 12.274 -4.266 1.00 0.00 C ATOM 1673 CD2 TYR C 109 1.345 9.901 -4.140 1.00 0.00 C ATOM 1674 CE1 TYR C 109 0.258 12.223 -5.130 1.00 0.00 C ATOM 1675 CE2 TYR C 109 0.280 9.842 -5.013 1.00 0.00 C ATOM 1676 CZ TYR C 109 -0.263 11.003 -5.505 1.00 0.00 C ATOM 1677 OH TYR C 109 -1.318 10.944 -6.383 1.00 0.00 O ATOM 0 H TYR C 109 4.173 10.528 -4.963 1.00 0.00 H new ATOM 0 HA TYR C 109 3.946 13.023 -3.511 1.00 0.00 H new ATOM 0 HB2 TYR C 109 3.430 10.158 -2.627 1.00 0.00 H new ATOM 0 HB3 TYR C 109 2.796 11.617 -1.890 1.00 0.00 H new ATOM 0 HD1 TYR C 109 1.736 13.233 -3.981 1.00 0.00 H new ATOM 0 HD2 TYR C 109 1.761 8.984 -3.749 1.00 0.00 H new ATOM 0 HE1 TYR C 109 -0.172 13.136 -5.513 1.00 0.00 H new ATOM 0 HE2 TYR C 109 -0.126 8.886 -5.309 1.00 0.00 H new ATOM 0 HH TYR C 109 -1.063 11.367 -7.229 1.00 0.00 H new ATOM 1687 N LYS C 110 6.401 11.039 -3.002 1.00 0.00 N ATOM 1688 CA LYS C 110 7.645 10.794 -2.281 1.00 0.00 C ATOM 1689 C LYS C 110 8.403 12.094 -2.007 1.00 0.00 C ATOM 1690 O LYS C 110 8.844 12.337 -0.883 1.00 0.00 O ATOM 1691 CB LYS C 110 8.519 9.818 -3.085 1.00 0.00 C ATOM 1692 CG LYS C 110 9.399 8.908 -2.236 1.00 0.00 C ATOM 1693 CD LYS C 110 10.584 9.646 -1.631 1.00 0.00 C ATOM 1694 CE LYS C 110 11.435 8.713 -0.786 1.00 0.00 C ATOM 1695 NZ LYS C 110 12.680 9.368 -0.304 1.00 0.00 N ATOM 0 H LYS C 110 6.319 10.513 -3.872 1.00 0.00 H new ATOM 0 HA LYS C 110 7.401 10.353 -1.315 1.00 0.00 H new ATOM 0 HB2 LYS C 110 7.872 9.199 -3.707 1.00 0.00 H new ATOM 0 HB3 LYS C 110 9.155 10.391 -3.759 1.00 0.00 H new ATOM 0 HG2 LYS C 110 8.800 8.471 -1.437 1.00 0.00 H new ATOM 0 HG3 LYS C 110 9.763 8.084 -2.849 1.00 0.00 H new ATOM 0 HD2 LYS C 110 11.192 10.078 -2.426 1.00 0.00 H new ATOM 0 HD3 LYS C 110 10.227 10.473 -1.018 1.00 0.00 H new ATOM 0 HE2 LYS C 110 10.853 8.369 0.069 1.00 0.00 H new ATOM 0 HE3 LYS C 110 11.694 7.831 -1.371 1.00 0.00 H new ATOM 0 HZ1 LYS C 110 13.228 8.694 0.268 1.00 0.00 H new ATOM 0 HZ2 LYS C 110 13.249 9.674 -1.119 1.00 0.00 H new ATOM 0 HZ3 LYS C 110 12.435 10.195 0.277 1.00 0.00 H new ATOM 1709 N LYS C 111 8.548 12.939 -3.021 1.00 0.00 N ATOM 1710 CA LYS C 111 9.252 14.203 -2.835 1.00 0.00 C ATOM 1711 C LYS C 111 8.288 15.314 -2.416 1.00 0.00 C ATOM 1712 O LYS C 111 8.411 16.464 -2.839 1.00 0.00 O ATOM 1713 CB LYS C 111 10.036 14.597 -4.087 1.00 0.00 C ATOM 1714 CG LYS C 111 9.193 14.885 -5.315 1.00 0.00 C ATOM 1715 CD LYS C 111 8.709 13.617 -5.992 1.00 0.00 C ATOM 1716 CE LYS C 111 7.934 13.924 -7.263 1.00 0.00 C ATOM 1717 NZ LYS C 111 8.760 14.638 -8.271 1.00 0.00 N ATOM 0 H LYS C 111 8.195 12.777 -3.964 1.00 0.00 H new ATOM 0 HA LYS C 111 9.972 14.062 -2.029 1.00 0.00 H new ATOM 0 HB2 LYS C 111 10.631 15.481 -3.860 1.00 0.00 H new ATOM 0 HB3 LYS C 111 10.735 13.795 -4.326 1.00 0.00 H new ATOM 0 HG2 LYS C 111 8.334 15.492 -5.029 1.00 0.00 H new ATOM 0 HG3 LYS C 111 9.777 15.473 -6.024 1.00 0.00 H new ATOM 0 HD2 LYS C 111 9.562 12.982 -6.230 1.00 0.00 H new ATOM 0 HD3 LYS C 111 8.075 13.056 -5.305 1.00 0.00 H new ATOM 0 HE2 LYS C 111 7.564 12.993 -7.694 1.00 0.00 H new ATOM 0 HE3 LYS C 111 7.062 14.530 -7.016 1.00 0.00 H new ATOM 0 HZ1 LYS C 111 8.420 14.406 -9.226 1.00 0.00 H new ATOM 0 HZ2 LYS C 111 8.686 15.664 -8.117 1.00 0.00 H new ATOM 0 HZ3 LYS C 111 9.753 14.345 -8.176 1.00 0.00 H new ATOM 1731 N VAL C 112 7.327 14.947 -1.579 1.00 0.00 N ATOM 1732 CA VAL C 112 6.318 15.879 -1.084 1.00 0.00 C ATOM 1733 C VAL C 112 6.327 15.950 0.465 1.00 0.00 C ATOM 1734 O VAL C 112 5.527 16.657 1.080 1.00 0.00 O ATOM 1735 CB VAL C 112 4.923 15.451 -1.634 1.00 0.00 C ATOM 1736 CG1 VAL C 112 3.794 16.339 -1.153 1.00 0.00 C ATOM 1737 CG2 VAL C 112 4.934 15.452 -3.155 1.00 0.00 C ATOM 0 H VAL C 112 7.223 13.997 -1.223 1.00 0.00 H new ATOM 0 HA VAL C 112 6.547 16.883 -1.440 1.00 0.00 H new ATOM 0 HB VAL C 112 4.741 14.447 -1.250 1.00 0.00 H new ATOM 0 HG11 VAL C 112 2.851 15.987 -1.572 1.00 0.00 H new ATOM 0 HG12 VAL C 112 3.743 16.305 -0.065 1.00 0.00 H new ATOM 0 HG13 VAL C 112 3.975 17.364 -1.476 1.00 0.00 H new ATOM 0 HG21 VAL C 112 3.954 15.151 -3.526 1.00 0.00 H new ATOM 0 HG22 VAL C 112 5.167 16.453 -3.517 1.00 0.00 H new ATOM 0 HG23 VAL C 112 5.688 14.752 -3.514 1.00 0.00 H new ATOM 1747 N GLU C 113 7.248 15.229 1.103 1.00 0.00 N ATOM 1748 CA GLU C 113 7.337 15.231 2.574 1.00 0.00 C ATOM 1749 C GLU C 113 8.299 16.286 3.096 1.00 0.00 C ATOM 1750 O GLU C 113 8.126 16.809 4.198 1.00 0.00 O ATOM 1751 CB GLU C 113 7.784 13.859 3.069 1.00 0.00 C ATOM 1752 CG GLU C 113 9.062 13.371 2.399 1.00 0.00 C ATOM 1753 CD GLU C 113 9.638 12.141 3.054 1.00 0.00 C ATOM 1754 OE1 GLU C 113 9.961 12.203 4.255 1.00 0.00 O ATOM 1755 OE2 GLU C 113 9.773 11.111 2.368 1.00 0.00 O ATOM 0 H GLU C 113 7.938 14.640 0.637 1.00 0.00 H new ATOM 0 HA GLU C 113 6.343 15.468 2.953 1.00 0.00 H new ATOM 0 HB2 GLU C 113 7.939 13.901 4.147 1.00 0.00 H new ATOM 0 HB3 GLU C 113 6.988 13.137 2.889 1.00 0.00 H new ATOM 0 HG2 GLU C 113 8.856 13.155 1.351 1.00 0.00 H new ATOM 0 HG3 GLU C 113 9.804 14.169 2.420 1.00 0.00 H new ATOM 1762 N LEU C 114 9.301 16.586 2.291 1.00 0.00 N ATOM 1763 CA LEU C 114 10.327 17.593 2.595 1.00 0.00 C ATOM 1764 C LEU C 114 9.680 18.928 2.939 1.00 0.00 C ATOM 1765 O LEU C 114 10.253 19.758 3.645 1.00 0.00 O ATOM 1766 CB LEU C 114 11.179 17.733 1.356 1.00 0.00 C ATOM 1767 CG LEU C 114 10.391 17.305 0.123 1.00 0.00 C ATOM 1768 CD1 LEU C 114 9.812 18.482 -0.624 1.00 0.00 C ATOM 1769 CD2 LEU C 114 11.178 16.381 -0.761 1.00 0.00 C ATOM 0 H LEU C 114 9.436 16.133 1.387 1.00 0.00 H new ATOM 0 HA LEU C 114 10.926 17.289 3.454 1.00 0.00 H new ATOM 0 HB2 LEU C 114 11.507 18.767 1.246 1.00 0.00 H new ATOM 0 HB3 LEU C 114 12.077 17.123 1.453 1.00 0.00 H new ATOM 0 HG LEU C 114 9.538 16.728 0.480 1.00 0.00 H new ATOM 0 HD11 LEU C 114 9.260 18.125 -1.494 1.00 0.00 H new ATOM 0 HD12 LEU C 114 9.139 19.034 0.032 1.00 0.00 H new ATOM 0 HD13 LEU C 114 10.619 19.138 -0.950 1.00 0.00 H new ATOM 0 HD21 LEU C 114 10.575 16.104 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU C 114 12.085 16.884 -1.097 1.00 0.00 H new ATOM 0 HD23 LEU C 114 11.446 15.484 -0.203 1.00 0.00 H new ATOM 1781 N PHE C 115 8.465 19.092 2.432 1.00 0.00 N ATOM 1782 CA PHE C 115 7.647 20.276 2.650 1.00 0.00 C ATOM 1783 C PHE C 115 7.347 20.460 4.152 1.00 0.00 C ATOM 1784 O PHE C 115 7.810 19.675 4.981 1.00 0.00 O ATOM 1785 CB PHE C 115 6.355 20.127 1.828 1.00 0.00 C ATOM 1786 CG PHE C 115 6.566 20.231 0.345 1.00 0.00 C ATOM 1787 CD1 PHE C 115 7.121 21.372 -0.209 1.00 0.00 C ATOM 1788 CD2 PHE C 115 6.208 19.192 -0.493 1.00 0.00 C ATOM 1789 CE1 PHE C 115 7.313 21.471 -1.573 1.00 0.00 C ATOM 1790 CE2 PHE C 115 6.396 19.282 -1.858 1.00 0.00 C ATOM 1791 CZ PHE C 115 6.951 20.423 -2.399 1.00 0.00 C ATOM 0 H PHE C 115 8.012 18.391 1.846 1.00 0.00 H new ATOM 0 HA PHE C 115 8.180 21.169 2.323 1.00 0.00 H new ATOM 0 HB2 PHE C 115 5.900 19.163 2.054 1.00 0.00 H new ATOM 0 HB3 PHE C 115 5.646 20.894 2.140 1.00 0.00 H new ATOM 0 HD1 PHE C 115 7.407 22.193 0.432 1.00 0.00 H new ATOM 0 HD2 PHE C 115 5.775 18.296 -0.074 1.00 0.00 H new ATOM 0 HE1 PHE C 115 7.746 22.366 -1.994 1.00 0.00 H new ATOM 0 HE2 PHE C 115 6.110 18.462 -2.500 1.00 0.00 H new ATOM 0 HZ PHE C 115 7.102 20.498 -3.466 1.00 0.00 H new ATOM 1801 N PRO C 116 6.579 21.498 4.535 1.00 0.00 N ATOM 1802 CA PRO C 116 6.255 21.759 5.945 1.00 0.00 C ATOM 1803 C PRO C 116 5.358 20.688 6.567 1.00 0.00 C ATOM 1804 O PRO C 116 4.920 19.750 5.896 1.00 0.00 O ATOM 1805 CB PRO C 116 5.526 23.107 5.906 1.00 0.00 C ATOM 1806 CG PRO C 116 4.996 23.220 4.520 1.00 0.00 C ATOM 1807 CD PRO C 116 5.972 22.492 3.640 1.00 0.00 C ATOM 0 HA PRO C 116 7.154 21.757 6.562 1.00 0.00 H new ATOM 0 HB2 PRO C 116 4.721 23.141 6.640 1.00 0.00 H new ATOM 0 HB3 PRO C 116 6.204 23.929 6.137 1.00 0.00 H new ATOM 0 HG2 PRO C 116 4.001 22.780 4.446 1.00 0.00 H new ATOM 0 HG3 PRO C 116 4.906 24.264 4.221 1.00 0.00 H new ATOM 0 HD2 PRO C 116 5.472 22.017 2.796 1.00 0.00 H new ATOM 0 HD3 PRO C 116 6.720 23.169 3.228 1.00 0.00 H new ATOM 1815 N ASN C 117 5.090 20.839 7.854 1.00 0.00 N ATOM 1816 CA ASN C 117 4.252 19.897 8.580 1.00 0.00 C ATOM 1817 C ASN C 117 2.885 20.498 8.865 1.00 0.00 C ATOM 1818 O ASN C 117 2.770 21.685 9.160 1.00 0.00 O ATOM 1819 CB ASN C 117 4.910 19.504 9.905 1.00 0.00 C ATOM 1820 CG ASN C 117 6.272 18.868 9.725 1.00 0.00 C ATOM 1821 OD1 ASN C 117 6.405 17.839 9.059 1.00 0.00 O ATOM 1822 ND2 ASN C 117 7.292 19.469 10.318 1.00 0.00 N ATOM 0 H ASN C 117 5.443 21.610 8.421 1.00 0.00 H new ATOM 0 HA ASN C 117 4.132 19.012 7.956 1.00 0.00 H new ATOM 0 HB2 ASN C 117 5.009 20.390 10.532 1.00 0.00 H new ATOM 0 HB3 ASN C 117 4.258 18.810 10.436 1.00 0.00 H new ATOM 0 HD21 ASN C 117 8.232 19.082 10.233 1.00 0.00 H new ATOM 0 HD22 ASN C 117 7.138 20.319 10.860 1.00 0.00 H new ATOM 1829 N GLY C 118 1.854 19.668 8.797 1.00 0.00 N ATOM 1830 CA GLY C 118 0.511 20.135 9.078 1.00 0.00 C ATOM 1831 C GLY C 118 0.142 19.903 10.525 1.00 0.00 C ATOM 1832 O GLY C 118 -0.014 20.850 11.295 1.00 0.00 O ATOM 0 H GLY C 118 1.923 18.680 8.552 1.00 0.00 H new ATOM 0 HA2 GLY C 118 0.437 21.198 8.847 1.00 0.00 H new ATOM 0 HA3 GLY C 118 -0.199 19.619 8.432 1.00 0.00 H new ATOM 1836 N GLY C 119 0.030 18.636 10.903 1.00 0.00 N ATOM 1837 CA GLY C 119 -0.293 18.303 12.276 1.00 0.00 C ATOM 1838 C GLY C 119 0.960 18.049 13.083 1.00 0.00 C ATOM 1839 O GLY C 119 1.371 18.888 13.891 1.00 0.00 O ATOM 0 H GLY C 119 0.157 17.835 10.285 1.00 0.00 H new ATOM 0 HA2 GLY C 119 -0.861 19.117 12.727 1.00 0.00 H new ATOM 0 HA3 GLY C 119 -0.930 17.419 12.299 1.00 0.00 H new ATOM 1843 N ILE C 120 1.585 16.900 12.848 1.00 0.00 N ATOM 1844 CA ILE C 120 2.816 16.544 13.534 1.00 0.00 C ATOM 1845 C ILE C 120 3.879 16.170 12.503 1.00 0.00 C ATOM 1846 O ILE C 120 4.808 16.967 12.291 1.00 0.00 O ATOM 1847 CB ILE C 120 2.642 15.364 14.527 1.00 0.00 C ATOM 1848 CG1 ILE C 120 1.532 15.634 15.551 1.00 0.00 C ATOM 1849 CG2 ILE C 120 3.951 15.093 15.252 1.00 0.00 C ATOM 1850 CD1 ILE C 120 0.152 15.234 15.081 1.00 0.00 C ATOM 1851 OXT ILE C 120 3.761 15.084 11.901 1.00 0.00 O ATOM 0 H ILE C 120 1.255 16.199 12.185 1.00 0.00 H new ATOM 0 HA ILE C 120 3.118 17.415 14.115 1.00 0.00 H new ATOM 0 HB ILE C 120 2.354 14.489 13.945 1.00 0.00 H new ATOM 0 HG12 ILE C 120 1.762 15.096 16.471 1.00 0.00 H new ATOM 0 HG13 ILE C 120 1.528 16.696 15.796 1.00 0.00 H new ATOM 0 HG21 ILE C 120 3.817 14.263 15.946 1.00 0.00 H new ATOM 0 HG22 ILE C 120 4.723 14.838 14.526 1.00 0.00 H new ATOM 0 HG23 ILE C 120 4.252 15.983 15.804 1.00 0.00 H new ATOM 0 HD11 ILE C 120 -0.577 15.457 15.861 1.00 0.00 H new ATOM 0 HD12 ILE C 120 -0.101 15.791 14.179 1.00 0.00 H new ATOM 0 HD13 ILE C 120 0.137 14.166 14.864 1.00 0.00 H new TER 1863 ILE C 120