USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 777 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 87 THR OG1 : rot -4:sc= 0.689 USER MOD Set 1.2: A 116 HIS : no HD1:sc=-0.00836 K(o=0.68,f=0.13) USER MOD Set 2.1: A 96 ASN : amide:sc= 0.365 K(o=0.54,f=-4.4!) USER MOD Set 2.2: A 98 SER OG : rot 74:sc= 0.176 USER MOD Set 3.1: A 94 THR OG1 : rot 142:sc= 0.205 USER MOD Set 3.2: A 103 ASN : amide:sc= 0.188 X(o=0.39,f=0.32) USER MOD Set 4.1: A 88 GLN : amide:sc= -0.261 X(o=-1.6,f=-1.6) USER MOD Set 4.2: A 89 GLN : amide:sc= -1.35 K(o=-1.6,f=-4.9!) USER MOD Set 5.1: A 71 ASN : amide:sc= -0.624! K(o=0.68!,f=-1.3) USER MOD Set 5.2: A 97 SER OG : rot -53:sc= 1.3 USER MOD Single : A 20 SER OG : rot 18:sc= 0.767 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.863 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= -0.119 K(o=-0.12,f=-1.3!) USER MOD Single : A 36 ASN : amide:sc= -0.0138 K(o=-0.014,f=-0.64) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 71:sc= 0.465 USER MOD Single : A 45 LYS NZ :NH3+ -160:sc= 0.529 (180deg=-0.542!) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.16 USER MOD Single : A 52 GLN : amide:sc= -0.512 K(o=-0.51,f=-1.8) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.841 F(o=-2!,f=-0.84) USER MOD Single : A 54 GLN : amide:sc= -0.815 X(o=-0.81,f=-0.76) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 140:sc= -2.05! USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 83:sc= 0.12 USER MOD Single : A 70 THR OG1 : rot 129:sc= 1.29 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 150:sc= -0.0692 USER MOD Single : A 79 GLN : amide:sc= 0.361 K(o=0.36,f=-2.4!) USER MOD Single : A 80 GLN : amide:sc= -0.0698 X(o=-0.07,f=-0.086) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -99:sc= 0.131 USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.219 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ -151:sc= 1.14 (180deg=1) USER MOD Single : A 111 SER OG : rot 180:sc= 0.0777 USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HE2:sc= 0.876 K(o=0.88,f=-5.3!) USER MOD Single : A 118 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.8!) USER MOD Single : A 119 HIS : no HE2:sc= 1.04 K(o=1,f=-5.6!) USER MOD Single : A 120 HIS : no HD1:sc= -0.357 X(o=-0.36,f=-0.64) USER MOD Single : A 121 HIS : no HD1:sc= -0.471 X(o=-0.47,f=-0.96!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 20 -18.096 -29.049 31.304 1.00 0.00 N ATOM 2 CA SER A 20 -16.828 -29.797 31.441 1.00 0.00 C ATOM 3 C SER A 20 -15.914 -29.135 32.470 1.00 0.00 C ATOM 4 O SER A 20 -15.236 -28.153 32.171 1.00 0.00 O ATOM 5 CB SER A 20 -16.132 -29.863 30.082 1.00 0.00 C ATOM 6 OG SER A 20 -17.059 -29.641 29.024 1.00 0.00 O ATOM 0 HA SER A 20 -17.049 -30.806 31.788 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.339 -29.116 30.039 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.659 -30.837 29.958 1.00 0.00 H new ATOM 0 HG SER A 20 -17.868 -29.219 29.381 1.00 0.00 H new ATOM 14 N SER A 21 -15.897 -29.671 33.684 1.00 0.00 N ATOM 15 CA SER A 21 -15.076 -29.116 34.749 1.00 0.00 C ATOM 16 C SER A 21 -13.887 -30.027 35.054 1.00 0.00 C ATOM 17 O SER A 21 -13.889 -31.208 34.695 1.00 0.00 O ATOM 18 CB SER A 21 -15.921 -28.909 36.009 1.00 0.00 C ATOM 19 OG SER A 21 -17.302 -29.108 35.740 1.00 0.00 O ATOM 0 H SER A 21 -16.443 -30.489 33.954 1.00 0.00 H new ATOM 0 HA SER A 21 -14.689 -28.153 34.417 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.596 -29.601 36.786 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.764 -27.901 36.394 1.00 0.00 H new ATOM 0 HG SER A 21 -17.818 -28.971 36.562 1.00 0.00 H new ATOM 25 N THR A 22 -12.873 -29.468 35.698 1.00 0.00 N ATOM 26 CA THR A 22 -11.704 -30.232 36.105 1.00 0.00 C ATOM 27 C THR A 22 -11.432 -30.017 37.591 1.00 0.00 C ATOM 28 O THR A 22 -11.763 -28.966 38.144 1.00 0.00 O ATOM 29 CB THR A 22 -10.454 -29.844 35.276 1.00 0.00 C ATOM 30 OG1 THR A 22 -9.293 -30.524 35.773 1.00 0.00 O ATOM 31 CG2 THR A 22 -10.212 -28.340 35.303 1.00 0.00 C ATOM 0 H THR A 22 -12.837 -28.481 35.951 1.00 0.00 H new ATOM 0 HA THR A 22 -11.913 -31.286 35.922 1.00 0.00 H new ATOM 0 HB THR A 22 -10.639 -30.145 34.245 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.512 -30.270 35.239 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.328 -28.103 34.712 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.077 -27.825 34.885 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.058 -28.015 36.332 1.00 0.00 H new ATOM 39 N LEU A 23 -10.852 -31.016 38.241 1.00 0.00 N ATOM 40 CA LEU A 23 -10.536 -30.917 39.656 1.00 0.00 C ATOM 41 C LEU A 23 -9.028 -30.809 39.861 1.00 0.00 C ATOM 42 O LEU A 23 -8.460 -29.720 39.773 1.00 0.00 O ATOM 43 CB LEU A 23 -11.097 -32.126 40.412 1.00 0.00 C ATOM 44 CG LEU A 23 -12.585 -32.043 40.754 1.00 0.00 C ATOM 45 CD1 LEU A 23 -13.378 -33.061 39.947 1.00 0.00 C ATOM 46 CD2 LEU A 23 -12.801 -32.261 42.243 1.00 0.00 C ATOM 0 H LEU A 23 -10.591 -31.903 37.810 1.00 0.00 H new ATOM 0 HA LEU A 23 -11.001 -30.014 40.053 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -10.927 -33.021 39.813 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.534 -32.250 41.337 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.942 -31.046 40.495 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -14.434 -32.986 40.205 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -13.249 -32.862 38.883 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -13.019 -34.065 40.175 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -13.865 -32.199 42.469 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -12.427 -33.245 42.525 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -12.265 -31.495 42.804 1.00 0.00 H new ATOM 58 N GLU A 24 -8.377 -31.939 40.098 1.00 0.00 N ATOM 59 CA GLU A 24 -6.947 -31.947 40.372 1.00 0.00 C ATOM 60 C GLU A 24 -6.154 -32.397 39.149 1.00 0.00 C ATOM 61 O GLU A 24 -5.582 -33.487 39.137 1.00 0.00 O ATOM 62 CB GLU A 24 -6.637 -32.858 41.560 1.00 0.00 C ATOM 63 CG GLU A 24 -5.968 -32.137 42.716 1.00 0.00 C ATOM 64 CD GLU A 24 -6.937 -31.284 43.503 1.00 0.00 C ATOM 65 OE1 GLU A 24 -7.700 -31.844 44.321 1.00 0.00 O ATOM 66 OE2 GLU A 24 -6.943 -30.052 43.308 1.00 0.00 O ATOM 0 H GLU A 24 -8.815 -32.860 40.106 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.648 -30.928 40.617 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.564 -33.311 41.912 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.992 -33.670 41.226 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.510 -32.869 43.381 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.164 -31.509 42.332 1.00 0.00 H new ATOM 73 N ARG A 25 -6.135 -31.556 38.122 1.00 0.00 N ATOM 74 CA ARG A 25 -5.375 -31.829 36.906 1.00 0.00 C ATOM 75 C ARG A 25 -5.447 -30.633 35.965 1.00 0.00 C ATOM 76 O ARG A 25 -6.193 -29.686 36.226 1.00 0.00 O ATOM 77 CB ARG A 25 -5.901 -33.085 36.195 1.00 0.00 C ATOM 78 CG ARG A 25 -7.277 -32.908 35.573 1.00 0.00 C ATOM 79 CD ARG A 25 -8.014 -34.230 35.444 1.00 0.00 C ATOM 80 NE ARG A 25 -8.099 -34.944 36.722 1.00 0.00 N ATOM 81 CZ ARG A 25 -7.923 -36.259 36.849 1.00 0.00 C ATOM 82 NH1 ARG A 25 -7.614 -36.994 35.787 1.00 0.00 N ATOM 83 NH2 ARG A 25 -8.040 -36.831 38.044 1.00 0.00 N ATOM 0 H ARG A 25 -6.642 -30.671 38.107 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.337 -32.005 37.188 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.195 -33.373 35.416 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.939 -33.907 36.910 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.865 -32.222 36.182 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.174 -32.452 34.588 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -9.019 -34.048 35.064 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.505 -34.858 34.712 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.305 -34.403 37.562 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.511 -36.552 34.873 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.479 -38.000 35.885 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.264 -36.263 38.861 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.906 -37.837 38.143 1.00 0.00 H new ATOM 97 N VAL A 26 -4.665 -30.694 34.884 1.00 0.00 N ATOM 98 CA VAL A 26 -4.652 -29.668 33.836 1.00 0.00 C ATOM 99 C VAL A 26 -3.827 -28.453 34.259 1.00 0.00 C ATOM 100 O VAL A 26 -4.220 -27.690 35.141 1.00 0.00 O ATOM 101 CB VAL A 26 -6.078 -29.214 33.424 1.00 0.00 C ATOM 102 CG1 VAL A 26 -6.021 -28.048 32.447 1.00 0.00 C ATOM 103 CG2 VAL A 26 -6.859 -30.372 32.819 1.00 0.00 C ATOM 0 H VAL A 26 -4.018 -31.463 34.709 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.187 -30.133 32.966 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.593 -28.880 34.324 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.034 -27.751 32.176 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.509 -27.207 32.914 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.479 -28.350 31.551 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.855 -30.031 32.538 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.338 -30.740 31.935 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.944 -31.175 33.551 1.00 0.00 H new ATOM 113 N VAL A 27 -2.670 -28.294 33.631 1.00 0.00 N ATOM 114 CA VAL A 27 -1.816 -27.143 33.882 1.00 0.00 C ATOM 115 C VAL A 27 -1.757 -26.255 32.643 1.00 0.00 C ATOM 116 O VAL A 27 -0.952 -26.486 31.738 1.00 0.00 O ATOM 117 CB VAL A 27 -0.382 -27.557 34.280 1.00 0.00 C ATOM 118 CG1 VAL A 27 0.332 -26.407 34.973 1.00 0.00 C ATOM 119 CG2 VAL A 27 -0.400 -28.790 35.172 1.00 0.00 C ATOM 0 H VAL A 27 -2.301 -28.950 32.942 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.253 -26.595 34.717 1.00 0.00 H new ATOM 0 HB VAL A 27 0.164 -27.805 33.370 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.341 -26.717 35.246 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.385 -25.552 34.299 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.217 -26.126 35.872 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.622 -29.061 35.438 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.966 -28.575 36.078 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.868 -29.618 34.639 1.00 0.00 H new ATOM 129 N TYR A 28 -2.623 -25.250 32.608 1.00 0.00 N ATOM 130 CA TYR A 28 -2.711 -24.336 31.473 1.00 0.00 C ATOM 131 C TYR A 28 -1.444 -23.488 31.364 1.00 0.00 C ATOM 132 O TYR A 28 -0.914 -23.016 32.370 1.00 0.00 O ATOM 133 CB TYR A 28 -3.965 -23.454 31.627 1.00 0.00 C ATOM 134 CG TYR A 28 -3.838 -22.042 31.087 1.00 0.00 C ATOM 135 CD1 TYR A 28 -4.125 -21.753 29.758 1.00 0.00 C ATOM 136 CD2 TYR A 28 -3.437 -20.996 31.913 1.00 0.00 C ATOM 137 CE1 TYR A 28 -4.018 -20.466 29.268 1.00 0.00 C ATOM 138 CE2 TYR A 28 -3.325 -19.709 31.430 1.00 0.00 C ATOM 139 CZ TYR A 28 -3.615 -19.447 30.108 1.00 0.00 C ATOM 140 OH TYR A 28 -3.505 -18.160 29.626 1.00 0.00 O ATOM 0 H TYR A 28 -3.281 -25.045 33.360 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.797 -24.910 30.550 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.797 -23.944 31.122 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -4.222 -23.399 32.685 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.437 -22.548 29.097 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.210 -21.196 32.950 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -4.248 -20.258 28.234 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.011 -18.910 32.085 1.00 0.00 H new ATOM 0 HH TYR A 28 -3.211 -17.565 30.347 1.00 0.00 H new ATOM 150 N ARG A 29 -0.956 -23.313 30.140 1.00 0.00 N ATOM 151 CA ARG A 29 0.241 -22.524 29.897 1.00 0.00 C ATOM 152 C ARG A 29 -0.122 -21.055 29.723 1.00 0.00 C ATOM 153 O ARG A 29 -0.831 -20.695 28.785 1.00 0.00 O ATOM 154 CB ARG A 29 0.967 -23.032 28.650 1.00 0.00 C ATOM 155 CG ARG A 29 2.074 -24.027 28.950 1.00 0.00 C ATOM 156 CD ARG A 29 3.418 -23.528 28.450 1.00 0.00 C ATOM 157 NE ARG A 29 4.473 -24.521 28.640 1.00 0.00 N ATOM 158 CZ ARG A 29 5.194 -25.048 27.649 1.00 0.00 C ATOM 159 NH1 ARG A 29 4.994 -24.666 26.394 1.00 0.00 N ATOM 160 NH2 ARG A 29 6.126 -25.951 27.914 1.00 0.00 N ATOM 0 H ARG A 29 -1.375 -23.710 29.299 1.00 0.00 H new ATOM 0 HA ARG A 29 0.903 -22.625 30.757 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.242 -23.499 27.983 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.390 -22.182 28.115 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.126 -24.202 30.025 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.842 -24.984 28.482 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.341 -23.278 27.392 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.683 -22.611 28.976 1.00 0.00 H new ATOM 0 HE ARG A 29 4.671 -24.831 29.591 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.285 -23.964 26.181 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.550 -25.074 25.642 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.293 -26.244 28.877 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.677 -26.353 27.155 1.00 0.00 H new ATOM 174 N PRO A 30 0.352 -20.191 30.632 1.00 0.00 N ATOM 175 CA PRO A 30 0.076 -18.751 30.583 1.00 0.00 C ATOM 176 C PRO A 30 0.693 -18.083 29.359 1.00 0.00 C ATOM 177 O PRO A 30 0.255 -17.008 28.936 1.00 0.00 O ATOM 178 CB PRO A 30 0.721 -18.206 31.864 1.00 0.00 C ATOM 179 CG PRO A 30 0.949 -19.399 32.728 1.00 0.00 C ATOM 180 CD PRO A 30 1.183 -20.546 31.790 1.00 0.00 C ATOM 0 HA PRO A 30 -0.993 -18.552 30.514 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.658 -17.694 31.645 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.070 -17.483 32.355 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.807 -19.249 33.383 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.088 -19.588 33.369 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.235 -20.640 31.520 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.880 -21.497 32.229 1.00 0.00 H new ATOM 188 N ASP A 31 1.707 -18.725 28.796 1.00 0.00 N ATOM 189 CA ASP A 31 2.381 -18.203 27.617 1.00 0.00 C ATOM 190 C ASP A 31 2.361 -19.236 26.499 1.00 0.00 C ATOM 191 O ASP A 31 2.899 -20.335 26.645 1.00 0.00 O ATOM 192 CB ASP A 31 3.825 -17.807 27.935 1.00 0.00 C ATOM 193 CG ASP A 31 4.606 -17.448 26.684 1.00 0.00 C ATOM 194 OD1 ASP A 31 4.197 -16.501 25.974 1.00 0.00 O ATOM 195 OD2 ASP A 31 5.625 -18.114 26.403 1.00 0.00 O ATOM 0 H ASP A 31 2.081 -19.610 29.138 1.00 0.00 H new ATOM 0 HA ASP A 31 1.846 -17.311 27.292 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.826 -16.958 28.619 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.322 -18.630 28.449 1.00 0.00 H new ATOM 200 N ILE A 32 1.733 -18.879 25.389 1.00 0.00 N ATOM 201 CA ILE A 32 1.602 -19.779 24.251 1.00 0.00 C ATOM 202 C ILE A 32 1.786 -19.016 22.946 1.00 0.00 C ATOM 203 O ILE A 32 2.168 -17.844 22.949 1.00 0.00 O ATOM 204 CB ILE A 32 0.220 -20.484 24.218 1.00 0.00 C ATOM 205 CG1 ILE A 32 -0.922 -19.456 24.324 1.00 0.00 C ATOM 206 CG2 ILE A 32 0.123 -21.540 25.313 1.00 0.00 C ATOM 207 CD1 ILE A 32 -1.476 -19.261 25.723 1.00 0.00 C ATOM 0 H ILE A 32 1.302 -17.965 25.251 1.00 0.00 H new ATOM 0 HA ILE A 32 2.377 -20.537 24.362 1.00 0.00 H new ATOM 0 HB ILE A 32 0.119 -20.993 23.259 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.563 -18.496 23.954 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.734 -19.767 23.667 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.855 -22.020 25.270 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.902 -22.288 25.167 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.252 -21.067 26.287 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.275 -18.520 25.698 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.871 -20.207 26.093 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.681 -18.916 26.384 1.00 0.00 H new ATOM 219 N ASN A 33 1.523 -19.691 21.840 1.00 0.00 N ATOM 220 CA ASN A 33 1.518 -19.062 20.529 1.00 0.00 C ATOM 221 C ASN A 33 0.136 -19.240 19.917 1.00 0.00 C ATOM 222 O ASN A 33 -0.102 -20.161 19.133 1.00 0.00 O ATOM 223 CB ASN A 33 2.596 -19.673 19.627 1.00 0.00 C ATOM 224 CG ASN A 33 2.634 -19.045 18.243 1.00 0.00 C ATOM 225 OD1 ASN A 33 2.132 -19.617 17.274 1.00 0.00 O ATOM 226 ND2 ASN A 33 3.228 -17.868 18.140 1.00 0.00 N ATOM 0 H ASN A 33 1.307 -20.688 21.825 1.00 0.00 H new ATOM 0 HA ASN A 33 1.743 -18.000 20.629 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.570 -19.554 20.101 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.417 -20.744 19.530 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.282 -17.402 17.234 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.632 -17.426 18.966 1.00 0.00 H new ATOM 233 N GLN A 34 -0.785 -18.380 20.321 1.00 0.00 N ATOM 234 CA GLN A 34 -2.173 -18.504 19.909 1.00 0.00 C ATOM 235 C GLN A 34 -2.599 -17.315 19.058 1.00 0.00 C ATOM 236 O GLN A 34 -2.134 -16.194 19.267 1.00 0.00 O ATOM 237 CB GLN A 34 -3.072 -18.614 21.142 1.00 0.00 C ATOM 238 CG GLN A 34 -4.131 -19.697 21.038 1.00 0.00 C ATOM 239 CD GLN A 34 -5.436 -19.172 20.478 1.00 0.00 C ATOM 240 OE1 GLN A 34 -5.838 -18.043 20.764 1.00 0.00 O ATOM 241 NE2 GLN A 34 -6.102 -19.981 19.671 1.00 0.00 N ATOM 0 H GLN A 34 -0.596 -17.588 20.935 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.273 -19.406 19.306 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.451 -18.810 22.016 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.563 -17.655 21.308 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.763 -20.502 20.402 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.308 -20.125 22.025 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.733 -20.908 19.460 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.984 -19.678 19.259 1.00 0.00 H new ATOM 250 N GLY A 35 -3.478 -17.571 18.100 1.00 0.00 N ATOM 251 CA GLY A 35 -3.981 -16.516 17.244 1.00 0.00 C ATOM 252 C GLY A 35 -3.497 -16.661 15.818 1.00 0.00 C ATOM 253 O GLY A 35 -2.303 -16.839 15.581 1.00 0.00 O ATOM 0 H GLY A 35 -3.854 -18.498 17.899 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.071 -16.526 17.259 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.666 -15.549 17.637 1.00 0.00 H new ATOM 257 N ASN A 36 -4.417 -16.581 14.868 1.00 0.00 N ATOM 258 CA ASN A 36 -4.070 -16.737 13.459 1.00 0.00 C ATOM 259 C ASN A 36 -3.696 -15.392 12.841 1.00 0.00 C ATOM 260 O ASN A 36 -4.172 -15.031 11.763 1.00 0.00 O ATOM 261 CB ASN A 36 -5.222 -17.378 12.682 1.00 0.00 C ATOM 262 CG ASN A 36 -4.733 -18.331 11.606 1.00 0.00 C ATOM 263 OD1 ASN A 36 -3.605 -18.222 11.122 1.00 0.00 O ATOM 264 ND2 ASN A 36 -5.581 -19.269 11.216 1.00 0.00 N ATOM 0 H ASN A 36 -5.407 -16.410 15.044 1.00 0.00 H new ATOM 0 HA ASN A 36 -3.205 -17.397 13.398 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.869 -17.917 13.375 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.827 -16.596 12.224 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.309 -19.933 10.491 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.507 -19.328 11.640 1.00 0.00 H new ATOM 271 N TYR A 37 -2.856 -14.653 13.550 1.00 0.00 N ATOM 272 CA TYR A 37 -2.311 -13.392 13.062 1.00 0.00 C ATOM 273 C TYR A 37 -1.091 -13.024 13.891 1.00 0.00 C ATOM 274 O TYR A 37 -0.963 -13.457 15.037 1.00 0.00 O ATOM 275 CB TYR A 37 -3.349 -12.256 13.105 1.00 0.00 C ATOM 276 CG TYR A 37 -4.213 -12.219 14.349 1.00 0.00 C ATOM 277 CD1 TYR A 37 -3.719 -11.745 15.559 1.00 0.00 C ATOM 278 CD2 TYR A 37 -5.534 -12.644 14.305 1.00 0.00 C ATOM 279 CE1 TYR A 37 -4.517 -11.697 16.687 1.00 0.00 C ATOM 280 CE2 TYR A 37 -6.336 -12.601 15.426 1.00 0.00 C ATOM 281 CZ TYR A 37 -5.825 -12.128 16.613 1.00 0.00 C ATOM 282 OH TYR A 37 -6.630 -12.083 17.729 1.00 0.00 O ATOM 0 H TYR A 37 -2.531 -14.910 14.482 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.028 -13.524 12.018 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.826 -11.304 13.017 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.998 -12.345 12.234 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.694 -11.409 15.619 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -5.941 -13.015 13.376 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.119 -11.325 17.619 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -7.361 -12.937 15.373 1.00 0.00 H new ATOM 0 HH TYR A 37 -7.521 -12.422 17.503 1.00 0.00 H new ATOM 292 N LEU A 38 -0.195 -12.241 13.317 1.00 0.00 N ATOM 293 CA LEU A 38 1.018 -11.857 14.015 1.00 0.00 C ATOM 294 C LEU A 38 0.715 -10.777 15.040 1.00 0.00 C ATOM 295 O LEU A 38 0.113 -9.753 14.721 1.00 0.00 O ATOM 296 CB LEU A 38 2.082 -11.372 13.025 1.00 0.00 C ATOM 297 CG LEU A 38 3.521 -11.415 13.550 1.00 0.00 C ATOM 298 CD1 LEU A 38 3.881 -12.816 14.032 1.00 0.00 C ATOM 299 CD2 LEU A 38 4.495 -10.960 12.476 1.00 0.00 C ATOM 0 H LEU A 38 -0.284 -11.861 12.375 1.00 0.00 H new ATOM 0 HA LEU A 38 1.409 -12.732 14.534 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.022 -11.981 12.123 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.847 -10.348 12.735 1.00 0.00 H new ATOM 0 HG LEU A 38 3.593 -10.732 14.397 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.907 -12.822 14.400 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.206 -13.109 14.836 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.788 -13.520 13.205 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.512 -10.997 12.867 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.415 -11.617 11.610 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.258 -9.938 12.179 1.00 0.00 H new ATOM 311 N THR A 39 1.125 -11.015 16.272 1.00 0.00 N ATOM 312 CA THR A 39 0.905 -10.064 17.343 1.00 0.00 C ATOM 313 C THR A 39 2.048 -9.053 17.396 1.00 0.00 C ATOM 314 O THR A 39 3.201 -9.399 17.142 1.00 0.00 O ATOM 315 CB THR A 39 0.782 -10.796 18.691 1.00 0.00 C ATOM 316 OG1 THR A 39 0.090 -12.039 18.499 1.00 0.00 O ATOM 317 CG2 THR A 39 0.036 -9.948 19.713 1.00 0.00 C ATOM 0 H THR A 39 1.615 -11.864 16.556 1.00 0.00 H new ATOM 0 HA THR A 39 -0.026 -9.531 17.148 1.00 0.00 H new ATOM 0 HB THR A 39 1.786 -10.983 19.072 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.013 -12.506 19.357 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.035 -10.492 20.655 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.574 -9.014 19.873 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.966 -9.731 19.343 1.00 0.00 H new ATOM 325 N ALA A 40 1.724 -7.809 17.736 1.00 0.00 N ATOM 326 CA ALA A 40 2.712 -6.736 17.756 1.00 0.00 C ATOM 327 C ALA A 40 3.835 -7.039 18.740 1.00 0.00 C ATOM 328 O ALA A 40 5.013 -6.876 18.419 1.00 0.00 O ATOM 329 CB ALA A 40 2.048 -5.410 18.099 1.00 0.00 C ATOM 0 H ALA A 40 0.783 -7.519 18.002 1.00 0.00 H new ATOM 0 HA ALA A 40 3.149 -6.662 16.760 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.798 -4.619 18.110 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.289 -5.179 17.352 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.581 -5.480 19.081 1.00 0.00 H new ATOM 335 N ASN A 41 3.462 -7.490 19.933 1.00 0.00 N ATOM 336 CA ASN A 41 4.435 -7.841 20.964 1.00 0.00 C ATOM 337 C ASN A 41 5.357 -8.961 20.495 1.00 0.00 C ATOM 338 O ASN A 41 6.542 -8.986 20.836 1.00 0.00 O ATOM 339 CB ASN A 41 3.732 -8.267 22.256 1.00 0.00 C ATOM 340 CG ASN A 41 4.702 -8.395 23.416 1.00 0.00 C ATOM 341 OD1 ASN A 41 5.186 -7.397 23.942 1.00 0.00 O ATOM 342 ND2 ASN A 41 5.000 -9.623 23.818 1.00 0.00 N ATOM 0 H ASN A 41 2.490 -7.622 20.211 1.00 0.00 H new ATOM 0 HA ASN A 41 5.034 -6.952 21.160 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.961 -7.538 22.507 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.229 -9.221 22.097 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.652 -9.763 24.590 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.577 -10.428 23.356 1.00 0.00 H new ATOM 349 N ASP A 42 4.821 -9.866 19.689 1.00 0.00 N ATOM 350 CA ASP A 42 5.573 -11.033 19.240 1.00 0.00 C ATOM 351 C ASP A 42 6.652 -10.645 18.239 1.00 0.00 C ATOM 352 O ASP A 42 7.663 -11.334 18.102 1.00 0.00 O ATOM 353 CB ASP A 42 4.633 -12.075 18.633 1.00 0.00 C ATOM 354 CG ASP A 42 4.622 -13.356 19.441 1.00 0.00 C ATOM 355 OD1 ASP A 42 5.563 -14.164 19.302 1.00 0.00 O ATOM 356 OD2 ASP A 42 3.693 -13.550 20.248 1.00 0.00 O ATOM 0 H ASP A 42 3.867 -9.816 19.331 1.00 0.00 H new ATOM 0 HA ASP A 42 6.064 -11.468 20.111 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.623 -11.668 18.582 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.942 -12.292 17.610 1.00 0.00 H new ATOM 361 N VAL A 43 6.442 -9.533 17.548 1.00 0.00 N ATOM 362 CA VAL A 43 7.431 -9.026 16.605 1.00 0.00 C ATOM 363 C VAL A 43 8.603 -8.400 17.354 1.00 0.00 C ATOM 364 O VAL A 43 9.746 -8.465 16.914 1.00 0.00 O ATOM 365 CB VAL A 43 6.814 -7.986 15.643 1.00 0.00 C ATOM 366 CG1 VAL A 43 7.836 -7.527 14.615 1.00 0.00 C ATOM 367 CG2 VAL A 43 5.589 -8.565 14.959 1.00 0.00 C ATOM 0 H VAL A 43 5.598 -8.965 17.622 1.00 0.00 H new ATOM 0 HA VAL A 43 7.786 -9.870 16.014 1.00 0.00 H new ATOM 0 HB VAL A 43 6.509 -7.117 16.225 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.379 -6.795 13.949 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.686 -7.073 15.125 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.177 -8.384 14.034 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.164 -7.822 14.284 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.874 -9.451 14.391 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.848 -8.839 15.710 1.00 0.00 H new ATOM 377 N SER A 44 8.312 -7.819 18.508 1.00 0.00 N ATOM 378 CA SER A 44 9.338 -7.198 19.335 1.00 0.00 C ATOM 379 C SER A 44 10.212 -8.252 20.011 1.00 0.00 C ATOM 380 O SER A 44 11.205 -7.926 20.664 1.00 0.00 O ATOM 381 CB SER A 44 8.682 -6.303 20.383 1.00 0.00 C ATOM 382 OG SER A 44 7.268 -6.381 20.297 1.00 0.00 O ATOM 0 H SER A 44 7.370 -7.764 18.895 1.00 0.00 H new ATOM 0 HA SER A 44 9.979 -6.593 18.694 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.007 -6.603 21.379 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.003 -5.271 20.240 1.00 0.00 H new ATOM 0 HG SER A 44 6.968 -7.256 20.621 1.00 0.00 H new ATOM 388 N LYS A 45 9.830 -9.515 19.865 1.00 0.00 N ATOM 389 CA LYS A 45 10.595 -10.615 20.432 1.00 0.00 C ATOM 390 C LYS A 45 11.862 -10.863 19.613 1.00 0.00 C ATOM 391 O LYS A 45 12.816 -11.470 20.098 1.00 0.00 O ATOM 392 CB LYS A 45 9.745 -11.884 20.491 1.00 0.00 C ATOM 393 CG LYS A 45 9.203 -12.192 21.880 1.00 0.00 C ATOM 394 CD LYS A 45 7.709 -12.474 21.847 1.00 0.00 C ATOM 395 CE LYS A 45 7.391 -13.870 22.360 1.00 0.00 C ATOM 396 NZ LYS A 45 5.985 -14.258 22.073 1.00 0.00 N ATOM 0 H LYS A 45 8.993 -9.802 19.357 1.00 0.00 H new ATOM 0 HA LYS A 45 10.885 -10.344 21.447 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.909 -11.784 19.798 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.344 -12.728 20.148 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.728 -13.053 22.293 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.401 -11.350 22.543 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.185 -11.735 22.453 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.341 -12.368 20.827 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.068 -14.589 21.899 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.567 -13.911 23.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.703 -15.033 22.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.361 -13.440 22.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.906 -14.572 21.085 1.00 0.00 H new ATOM 410 N ILE A 46 11.862 -10.390 18.372 1.00 0.00 N ATOM 411 CA ILE A 46 13.035 -10.489 17.521 1.00 0.00 C ATOM 412 C ILE A 46 13.631 -9.106 17.296 1.00 0.00 C ATOM 413 O ILE A 46 13.187 -8.129 17.900 1.00 0.00 O ATOM 414 CB ILE A 46 12.721 -11.160 16.167 1.00 0.00 C ATOM 415 CG1 ILE A 46 11.502 -10.520 15.501 1.00 0.00 C ATOM 416 CG2 ILE A 46 12.493 -12.653 16.362 1.00 0.00 C ATOM 417 CD1 ILE A 46 11.827 -9.812 14.205 1.00 0.00 C ATOM 0 H ILE A 46 11.061 -9.934 17.935 1.00 0.00 H new ATOM 0 HA ILE A 46 13.759 -11.122 18.034 1.00 0.00 H new ATOM 0 HB ILE A 46 13.578 -11.013 15.510 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.756 -11.291 15.308 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.052 -9.808 16.192 1.00 0.00 H new ATOM 0 HG21 ILE A 46 12.272 -13.116 15.400 1.00 0.00 H new ATOM 0 HG22 ILE A 46 13.390 -13.106 16.785 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.654 -12.807 17.040 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.917 -9.382 13.787 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.550 -9.018 14.395 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.249 -10.525 13.497 1.00 0.00 H new ATOM 429 N ARG A 47 14.629 -9.016 16.430 1.00 0.00 N ATOM 430 CA ARG A 47 15.339 -7.761 16.231 1.00 0.00 C ATOM 431 C ARG A 47 16.003 -7.721 14.864 1.00 0.00 C ATOM 432 O ARG A 47 16.040 -8.724 14.152 1.00 0.00 O ATOM 433 CB ARG A 47 16.390 -7.573 17.330 1.00 0.00 C ATOM 434 CG ARG A 47 17.367 -8.738 17.455 1.00 0.00 C ATOM 435 CD ARG A 47 18.793 -8.308 17.148 1.00 0.00 C ATOM 436 NE ARG A 47 19.751 -8.813 18.130 1.00 0.00 N ATOM 437 CZ ARG A 47 20.617 -9.794 17.894 1.00 0.00 C ATOM 438 NH1 ARG A 47 20.669 -10.368 16.695 1.00 0.00 N ATOM 439 NH2 ARG A 47 21.443 -10.181 18.854 1.00 0.00 N ATOM 0 H ARG A 47 14.964 -9.791 15.857 1.00 0.00 H new ATOM 0 HA ARG A 47 14.615 -6.948 16.283 1.00 0.00 H new ATOM 0 HB2 ARG A 47 16.951 -6.660 17.130 1.00 0.00 H new ATOM 0 HB3 ARG A 47 15.883 -7.433 18.284 1.00 0.00 H new ATOM 0 HG2 ARG A 47 17.319 -9.147 18.464 1.00 0.00 H new ATOM 0 HG3 ARG A 47 17.072 -9.536 16.773 1.00 0.00 H new ATOM 0 HD2 ARG A 47 19.071 -8.664 16.156 1.00 0.00 H new ATOM 0 HD3 ARG A 47 18.844 -7.220 17.121 1.00 0.00 H new ATOM 0 HE ARG A 47 19.755 -8.385 19.056 1.00 0.00 H new ATOM 0 HH11 ARG A 47 20.043 -10.056 15.953 1.00 0.00 H new ATOM 0 HH12 ARG A 47 21.335 -11.120 16.518 1.00 0.00 H new ATOM 0 HH21 ARG A 47 21.412 -9.727 19.767 1.00 0.00 H new ATOM 0 HH22 ARG A 47 22.110 -10.933 18.680 1.00 0.00 H new ATOM 453 N VAL A 48 16.532 -6.560 14.501 1.00 0.00 N ATOM 454 CA VAL A 48 17.274 -6.418 13.256 1.00 0.00 C ATOM 455 C VAL A 48 18.617 -7.126 13.370 1.00 0.00 C ATOM 456 O VAL A 48 19.176 -7.230 14.456 1.00 0.00 O ATOM 457 CB VAL A 48 17.507 -4.937 12.894 1.00 0.00 C ATOM 458 CG1 VAL A 48 16.291 -4.363 12.186 1.00 0.00 C ATOM 459 CG2 VAL A 48 17.843 -4.122 14.135 1.00 0.00 C ATOM 0 H VAL A 48 16.461 -5.704 15.051 1.00 0.00 H new ATOM 0 HA VAL A 48 16.677 -6.871 12.464 1.00 0.00 H new ATOM 0 HB VAL A 48 18.357 -4.882 12.214 1.00 0.00 H new ATOM 0 HG11 VAL A 48 16.474 -3.317 11.938 1.00 0.00 H new ATOM 0 HG12 VAL A 48 16.104 -4.925 11.271 1.00 0.00 H new ATOM 0 HG13 VAL A 48 15.422 -4.434 12.840 1.00 0.00 H new ATOM 0 HG21 VAL A 48 18.003 -3.081 13.854 1.00 0.00 H new ATOM 0 HG22 VAL A 48 17.018 -4.184 14.845 1.00 0.00 H new ATOM 0 HG23 VAL A 48 18.749 -4.517 14.595 1.00 0.00 H new ATOM 469 N GLY A 49 19.119 -7.628 12.257 1.00 0.00 N ATOM 470 CA GLY A 49 20.346 -8.395 12.271 1.00 0.00 C ATOM 471 C GLY A 49 20.157 -9.766 12.886 1.00 0.00 C ATOM 472 O GLY A 49 21.124 -10.492 13.112 1.00 0.00 O ATOM 0 H GLY A 49 18.696 -7.518 11.335 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.716 -8.504 11.252 1.00 0.00 H new ATOM 0 HA3 GLY A 49 21.107 -7.850 12.830 1.00 0.00 H new ATOM 476 N MET A 50 18.912 -10.107 13.183 1.00 0.00 N ATOM 477 CA MET A 50 18.576 -11.443 13.631 1.00 0.00 C ATOM 478 C MET A 50 18.289 -12.304 12.413 1.00 0.00 C ATOM 479 O MET A 50 17.809 -11.797 11.394 1.00 0.00 O ATOM 480 CB MET A 50 17.365 -11.409 14.565 1.00 0.00 C ATOM 481 CG MET A 50 17.584 -12.135 15.878 1.00 0.00 C ATOM 482 SD MET A 50 16.240 -13.270 16.276 1.00 0.00 S ATOM 483 CE MET A 50 16.793 -13.914 17.853 1.00 0.00 C ATOM 0 H MET A 50 18.117 -9.471 13.120 1.00 0.00 H new ATOM 0 HA MET A 50 19.412 -11.865 14.190 1.00 0.00 H new ATOM 0 HB2 MET A 50 17.108 -10.370 14.773 1.00 0.00 H new ATOM 0 HB3 MET A 50 16.511 -11.853 14.053 1.00 0.00 H new ATOM 0 HG2 MET A 50 18.521 -12.690 15.830 1.00 0.00 H new ATOM 0 HG3 MET A 50 17.687 -11.404 16.680 1.00 0.00 H new ATOM 0 HE1 MET A 50 16.064 -14.632 18.229 1.00 0.00 H new ATOM 0 HE2 MET A 50 17.756 -14.408 17.727 1.00 0.00 H new ATOM 0 HE3 MET A 50 16.896 -13.095 18.565 1.00 0.00 H new ATOM 493 N THR A 51 18.596 -13.585 12.500 1.00 0.00 N ATOM 494 CA THR A 51 18.445 -14.464 11.363 1.00 0.00 C ATOM 495 C THR A 51 16.973 -14.789 11.123 1.00 0.00 C ATOM 496 O THR A 51 16.203 -14.978 12.071 1.00 0.00 O ATOM 497 CB THR A 51 19.233 -15.762 11.593 1.00 0.00 C ATOM 498 OG1 THR A 51 19.541 -15.882 12.993 1.00 0.00 O ATOM 499 CG2 THR A 51 20.519 -15.764 10.777 1.00 0.00 C ATOM 0 H THR A 51 18.950 -14.035 13.344 1.00 0.00 H new ATOM 0 HA THR A 51 18.837 -13.956 10.482 1.00 0.00 H new ATOM 0 HB THR A 51 18.626 -16.609 11.273 1.00 0.00 H new ATOM 0 HG1 THR A 51 20.043 -16.709 13.148 1.00 0.00 H new ATOM 0 HG21 THR A 51 21.061 -16.693 10.955 1.00 0.00 H new ATOM 0 HG22 THR A 51 20.278 -15.682 9.717 1.00 0.00 H new ATOM 0 HG23 THR A 51 21.140 -14.919 11.074 1.00 0.00 H new ATOM 507 N GLN A 52 16.599 -14.883 9.853 1.00 0.00 N ATOM 508 CA GLN A 52 15.222 -15.169 9.474 1.00 0.00 C ATOM 509 C GLN A 52 14.808 -16.551 9.961 1.00 0.00 C ATOM 510 O GLN A 52 13.638 -16.798 10.240 1.00 0.00 O ATOM 511 CB GLN A 52 15.054 -15.065 7.954 1.00 0.00 C ATOM 512 CG GLN A 52 16.013 -15.941 7.161 1.00 0.00 C ATOM 513 CD GLN A 52 15.306 -17.046 6.396 1.00 0.00 C ATOM 514 OE1 GLN A 52 14.948 -18.077 6.961 1.00 0.00 O ATOM 515 NE2 GLN A 52 15.105 -16.840 5.103 1.00 0.00 N ATOM 0 H GLN A 52 17.235 -14.764 9.064 1.00 0.00 H new ATOM 0 HA GLN A 52 14.575 -14.430 9.947 1.00 0.00 H new ATOM 0 HB2 GLN A 52 14.031 -15.336 7.693 1.00 0.00 H new ATOM 0 HB3 GLN A 52 15.195 -14.027 7.654 1.00 0.00 H new ATOM 0 HG2 GLN A 52 16.570 -15.319 6.460 1.00 0.00 H new ATOM 0 HG3 GLN A 52 16.740 -16.384 7.842 1.00 0.00 H new ATOM 0 HE21 GLN A 52 15.417 -15.971 4.671 1.00 0.00 H new ATOM 0 HE22 GLN A 52 14.638 -17.551 4.540 1.00 0.00 H new ATOM 524 N GLN A 53 15.789 -17.434 10.095 1.00 0.00 N ATOM 525 CA GLN A 53 15.534 -18.801 10.525 1.00 0.00 C ATOM 526 C GLN A 53 15.168 -18.832 12.002 1.00 0.00 C ATOM 527 O GLN A 53 14.331 -19.622 12.424 1.00 0.00 O ATOM 528 CB GLN A 53 16.756 -19.686 10.269 1.00 0.00 C ATOM 529 CG GLN A 53 17.149 -19.774 8.803 1.00 0.00 C ATOM 530 CD GLN A 53 18.240 -18.790 8.426 1.00 0.00 C ATOM 531 OE1 GLN A 53 19.145 -18.521 9.353 1.00 0.00 O flip ATOM 532 NE2 GLN A 53 18.269 -18.271 7.312 1.00 0.00 N flip ATOM 0 H GLN A 53 16.771 -17.226 9.911 1.00 0.00 H new ATOM 0 HA GLN A 53 14.697 -19.190 9.945 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.600 -19.299 10.840 1.00 0.00 H new ATOM 0 HB3 GLN A 53 16.552 -20.689 10.642 1.00 0.00 H new ATOM 0 HG2 GLN A 53 17.487 -20.786 8.583 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.271 -19.590 8.185 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.554 -18.503 6.623 1.00 0.00 H new ATOM 0 HE22 GLN A 53 19.008 -17.609 7.077 1.00 0.00 H new ATOM 541 N GLN A 54 15.783 -17.954 12.780 1.00 0.00 N ATOM 542 CA GLN A 54 15.511 -17.891 14.206 1.00 0.00 C ATOM 543 C GLN A 54 14.201 -17.166 14.461 1.00 0.00 C ATOM 544 O GLN A 54 13.456 -17.529 15.366 1.00 0.00 O ATOM 545 CB GLN A 54 16.657 -17.203 14.949 1.00 0.00 C ATOM 546 CG GLN A 54 17.538 -18.159 15.743 1.00 0.00 C ATOM 547 CD GLN A 54 17.344 -19.613 15.346 1.00 0.00 C ATOM 548 OE1 GLN A 54 17.890 -20.074 14.344 1.00 0.00 O ATOM 549 NE2 GLN A 54 16.561 -20.339 16.126 1.00 0.00 N ATOM 0 H GLN A 54 16.471 -17.278 12.448 1.00 0.00 H new ATOM 0 HA GLN A 54 15.426 -18.910 14.584 1.00 0.00 H new ATOM 0 HB2 GLN A 54 17.275 -16.668 14.228 1.00 0.00 H new ATOM 0 HB3 GLN A 54 16.242 -16.458 15.628 1.00 0.00 H new ATOM 0 HG2 GLN A 54 18.583 -17.885 15.600 1.00 0.00 H new ATOM 0 HG3 GLN A 54 17.322 -18.046 16.805 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.128 -19.918 16.948 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.390 -21.320 15.906 1.00 0.00 H new ATOM 558 N VAL A 55 13.921 -16.145 13.657 1.00 0.00 N ATOM 559 CA VAL A 55 12.619 -15.489 13.697 1.00 0.00 C ATOM 560 C VAL A 55 11.531 -16.520 13.409 1.00 0.00 C ATOM 561 O VAL A 55 10.541 -16.640 14.143 1.00 0.00 O ATOM 562 CB VAL A 55 12.528 -14.339 12.666 1.00 0.00 C ATOM 563 CG1 VAL A 55 11.157 -13.678 12.701 1.00 0.00 C ATOM 564 CG2 VAL A 55 13.625 -13.311 12.907 1.00 0.00 C ATOM 0 H VAL A 55 14.572 -15.756 12.975 1.00 0.00 H new ATOM 0 HA VAL A 55 12.483 -15.059 14.689 1.00 0.00 H new ATOM 0 HB VAL A 55 12.670 -14.767 11.674 1.00 0.00 H new ATOM 0 HG11 VAL A 55 11.122 -12.874 11.966 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.391 -14.417 12.467 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.975 -13.269 13.695 1.00 0.00 H new ATOM 0 HG21 VAL A 55 13.542 -12.511 12.171 1.00 0.00 H new ATOM 0 HG22 VAL A 55 13.520 -12.894 13.909 1.00 0.00 H new ATOM 0 HG23 VAL A 55 14.600 -13.790 12.814 1.00 0.00 H new ATOM 574 N ALA A 56 11.761 -17.293 12.354 1.00 0.00 N ATOM 575 CA ALA A 56 10.854 -18.352 11.946 1.00 0.00 C ATOM 576 C ALA A 56 10.712 -19.410 13.034 1.00 0.00 C ATOM 577 O ALA A 56 9.623 -19.923 13.274 1.00 0.00 O ATOM 578 CB ALA A 56 11.357 -18.987 10.662 1.00 0.00 C ATOM 0 H ALA A 56 12.584 -17.201 11.758 1.00 0.00 H new ATOM 0 HA ALA A 56 9.870 -17.915 11.776 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.675 -19.781 10.358 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.407 -18.232 9.878 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.350 -19.405 10.827 1.00 0.00 H new ATOM 584 N TYR A 57 11.819 -19.725 13.693 1.00 0.00 N ATOM 585 CA TYR A 57 11.831 -20.747 14.732 1.00 0.00 C ATOM 586 C TYR A 57 11.242 -20.225 16.040 1.00 0.00 C ATOM 587 O TYR A 57 10.844 -21.001 16.910 1.00 0.00 O ATOM 588 CB TYR A 57 13.254 -21.255 14.959 1.00 0.00 C ATOM 589 CG TYR A 57 13.487 -22.620 14.362 1.00 0.00 C ATOM 590 CD1 TYR A 57 12.905 -23.744 14.925 1.00 0.00 C ATOM 591 CD2 TYR A 57 14.278 -22.780 13.232 1.00 0.00 C ATOM 592 CE1 TYR A 57 13.105 -24.998 14.380 1.00 0.00 C ATOM 593 CE2 TYR A 57 14.481 -24.028 12.680 1.00 0.00 C ATOM 594 CZ TYR A 57 13.894 -25.134 13.257 1.00 0.00 C ATOM 595 OH TYR A 57 14.095 -26.379 12.703 1.00 0.00 O ATOM 0 H TYR A 57 12.724 -19.286 13.526 1.00 0.00 H new ATOM 0 HA TYR A 57 11.206 -21.573 14.392 1.00 0.00 H new ATOM 0 HB2 TYR A 57 13.961 -20.548 14.526 1.00 0.00 H new ATOM 0 HB3 TYR A 57 13.456 -21.292 16.030 1.00 0.00 H new ATOM 0 HD1 TYR A 57 12.285 -23.639 15.803 1.00 0.00 H new ATOM 0 HD2 TYR A 57 14.741 -21.916 12.779 1.00 0.00 H new ATOM 0 HE1 TYR A 57 12.646 -25.866 14.830 1.00 0.00 H new ATOM 0 HE2 TYR A 57 15.097 -24.138 11.800 1.00 0.00 H new ATOM 0 HH TYR A 57 14.674 -26.298 11.917 1.00 0.00 H new ATOM 605 N ALA A 58 11.205 -18.911 16.177 1.00 0.00 N ATOM 606 CA ALA A 58 10.659 -18.277 17.370 1.00 0.00 C ATOM 607 C ALA A 58 9.136 -18.212 17.324 1.00 0.00 C ATOM 608 O ALA A 58 8.462 -18.754 18.199 1.00 0.00 O ATOM 609 CB ALA A 58 11.246 -16.882 17.549 1.00 0.00 C ATOM 0 H ALA A 58 11.548 -18.257 15.474 1.00 0.00 H new ATOM 0 HA ALA A 58 10.939 -18.890 18.227 1.00 0.00 H new ATOM 0 HB1 ALA A 58 10.827 -16.423 18.445 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.329 -16.953 17.650 1.00 0.00 H new ATOM 0 HB3 ALA A 58 11.002 -16.270 16.680 1.00 0.00 H new ATOM 615 N LEU A 59 8.591 -17.562 16.300 1.00 0.00 N ATOM 616 CA LEU A 59 7.146 -17.335 16.244 1.00 0.00 C ATOM 617 C LEU A 59 6.425 -18.401 15.424 1.00 0.00 C ATOM 618 O LEU A 59 5.208 -18.551 15.528 1.00 0.00 O ATOM 619 CB LEU A 59 6.826 -15.939 15.692 1.00 0.00 C ATOM 620 CG LEU A 59 7.933 -15.281 14.866 1.00 0.00 C ATOM 621 CD1 LEU A 59 7.407 -14.878 13.498 1.00 0.00 C ATOM 622 CD2 LEU A 59 8.499 -14.073 15.601 1.00 0.00 C ATOM 0 H LEU A 59 9.115 -17.188 15.509 1.00 0.00 H new ATOM 0 HA LEU A 59 6.781 -17.402 17.269 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.931 -16.009 15.074 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.585 -15.284 16.529 1.00 0.00 H new ATOM 0 HG LEU A 59 8.736 -16.004 14.725 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.207 -14.411 12.923 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.050 -15.762 12.971 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.586 -14.171 13.618 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.285 -13.617 15.000 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.705 -13.346 15.772 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.912 -14.390 16.558 1.00 0.00 H new ATOM 634 N GLY A 60 7.167 -19.147 14.622 1.00 0.00 N ATOM 635 CA GLY A 60 6.557 -20.182 13.809 1.00 0.00 C ATOM 636 C GLY A 60 6.025 -19.655 12.492 1.00 0.00 C ATOM 637 O GLY A 60 4.899 -19.164 12.415 1.00 0.00 O ATOM 0 H GLY A 60 8.178 -19.057 14.518 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.291 -20.964 13.613 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.742 -20.643 14.367 1.00 0.00 H new ATOM 641 N THR A 61 6.832 -19.771 11.455 1.00 0.00 N ATOM 642 CA THR A 61 6.478 -19.258 10.139 1.00 0.00 C ATOM 643 C THR A 61 5.508 -20.185 9.407 1.00 0.00 C ATOM 644 O THR A 61 5.451 -21.383 9.690 1.00 0.00 O ATOM 645 CB THR A 61 7.733 -19.106 9.273 1.00 0.00 C ATOM 646 OG1 THR A 61 8.731 -20.034 9.716 1.00 0.00 O ATOM 647 CG2 THR A 61 8.272 -17.689 9.341 1.00 0.00 C ATOM 0 H THR A 61 7.747 -20.220 11.497 1.00 0.00 H new ATOM 0 HA THR A 61 5.998 -18.292 10.297 1.00 0.00 H new ATOM 0 HB THR A 61 7.471 -19.317 8.236 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.188 -20.419 8.939 1.00 0.00 H new ATOM 0 HG21 THR A 61 9.163 -17.608 8.718 1.00 0.00 H new ATOM 0 HG22 THR A 61 7.513 -16.994 8.982 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.528 -17.446 10.372 1.00 0.00 H new ATOM 655 N PRO A 62 4.723 -19.638 8.466 1.00 0.00 N ATOM 656 CA PRO A 62 3.923 -20.443 7.542 1.00 0.00 C ATOM 657 C PRO A 62 4.815 -21.094 6.486 1.00 0.00 C ATOM 658 O PRO A 62 5.844 -20.529 6.111 1.00 0.00 O ATOM 659 CB PRO A 62 2.972 -19.424 6.885 1.00 0.00 C ATOM 660 CG PRO A 62 3.153 -18.147 7.642 1.00 0.00 C ATOM 661 CD PRO A 62 4.530 -18.202 8.238 1.00 0.00 C ATOM 0 HA PRO A 62 3.394 -21.253 8.043 1.00 0.00 H new ATOM 0 HB2 PRO A 62 3.212 -19.290 5.830 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.938 -19.765 6.936 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.049 -17.286 6.982 1.00 0.00 H new ATOM 0 HG3 PRO A 62 2.396 -18.046 8.420 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.281 -17.794 7.561 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.593 -17.632 9.165 1.00 0.00 H new ATOM 669 N LEU A 63 4.436 -22.277 6.016 1.00 0.00 N ATOM 670 CA LEU A 63 5.223 -22.981 5.007 1.00 0.00 C ATOM 671 C LEU A 63 5.105 -22.285 3.649 1.00 0.00 C ATOM 672 O LEU A 63 4.248 -22.619 2.832 1.00 0.00 O ATOM 673 CB LEU A 63 4.778 -24.451 4.904 1.00 0.00 C ATOM 674 CG LEU A 63 3.266 -24.693 4.979 1.00 0.00 C ATOM 675 CD1 LEU A 63 2.799 -25.516 3.789 1.00 0.00 C ATOM 676 CD2 LEU A 63 2.898 -25.392 6.283 1.00 0.00 C ATOM 0 H LEU A 63 3.593 -22.768 6.315 1.00 0.00 H new ATOM 0 HA LEU A 63 6.269 -22.960 5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.147 -24.858 3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.258 -25.014 5.704 1.00 0.00 H new ATOM 0 HG LEU A 63 2.763 -23.726 4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.723 -25.678 3.858 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.027 -24.983 2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.312 -26.478 3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.821 -25.555 6.317 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.412 -26.352 6.339 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.198 -24.770 7.126 1.00 0.00 H new ATOM 688 N MET A 64 5.967 -21.304 3.422 1.00 0.00 N ATOM 689 CA MET A 64 5.952 -20.551 2.179 1.00 0.00 C ATOM 690 C MET A 64 7.106 -20.969 1.280 1.00 0.00 C ATOM 691 O MET A 64 8.275 -20.875 1.659 1.00 0.00 O ATOM 692 CB MET A 64 6.013 -19.041 2.455 1.00 0.00 C ATOM 693 CG MET A 64 7.149 -18.627 3.381 1.00 0.00 C ATOM 694 SD MET A 64 7.982 -17.121 2.833 1.00 0.00 S ATOM 695 CE MET A 64 9.559 -17.777 2.290 1.00 0.00 C ATOM 0 H MET A 64 6.686 -21.012 4.084 1.00 0.00 H new ATOM 0 HA MET A 64 5.016 -20.771 1.665 1.00 0.00 H new ATOM 0 HB2 MET A 64 6.119 -18.513 1.508 1.00 0.00 H new ATOM 0 HB3 MET A 64 5.067 -18.723 2.893 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.756 -18.474 4.386 1.00 0.00 H new ATOM 0 HG3 MET A 64 7.876 -19.437 3.443 1.00 0.00 H new ATOM 0 HE1 MET A 64 10.185 -16.963 1.923 1.00 0.00 H new ATOM 0 HE2 MET A 64 10.056 -18.268 3.126 1.00 0.00 H new ATOM 0 HE3 MET A 64 9.397 -18.499 1.490 1.00 0.00 H new ATOM 705 N SER A 65 6.771 -21.449 0.098 1.00 0.00 N ATOM 706 CA SER A 65 7.771 -21.839 -0.875 1.00 0.00 C ATOM 707 C SER A 65 8.246 -20.623 -1.662 1.00 0.00 C ATOM 708 O SER A 65 7.435 -19.814 -2.120 1.00 0.00 O ATOM 709 CB SER A 65 7.182 -22.886 -1.819 1.00 0.00 C ATOM 710 OG SER A 65 5.849 -23.204 -1.444 1.00 0.00 O ATOM 0 H SER A 65 5.808 -21.578 -0.212 1.00 0.00 H new ATOM 0 HA SER A 65 8.629 -22.267 -0.356 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.198 -22.511 -2.842 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.796 -23.787 -1.800 1.00 0.00 H new ATOM 0 HG SER A 65 5.236 -22.536 -1.816 1.00 0.00 H new ATOM 716 N ASP A 66 9.559 -20.489 -1.808 1.00 0.00 N ATOM 717 CA ASP A 66 10.142 -19.375 -2.542 1.00 0.00 C ATOM 718 C ASP A 66 11.564 -19.705 -2.969 1.00 0.00 C ATOM 719 O ASP A 66 12.511 -19.543 -2.198 1.00 0.00 O ATOM 720 CB ASP A 66 10.145 -18.093 -1.706 1.00 0.00 C ATOM 721 CG ASP A 66 10.627 -16.899 -2.509 1.00 0.00 C ATOM 722 OD1 ASP A 66 9.810 -16.303 -3.236 1.00 0.00 O ATOM 723 OD2 ASP A 66 11.826 -16.556 -2.421 1.00 0.00 O ATOM 0 H ASP A 66 10.242 -21.142 -1.425 1.00 0.00 H new ATOM 0 HA ASP A 66 9.526 -19.209 -3.426 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.139 -17.899 -1.334 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.786 -18.228 -0.835 1.00 0.00 H new ATOM 728 N PRO A 67 11.728 -20.201 -4.196 1.00 0.00 N ATOM 729 CA PRO A 67 13.038 -20.494 -4.760 1.00 0.00 C ATOM 730 C PRO A 67 13.647 -19.276 -5.449 1.00 0.00 C ATOM 731 O PRO A 67 14.778 -19.320 -5.934 1.00 0.00 O ATOM 732 CB PRO A 67 12.719 -21.582 -5.781 1.00 0.00 C ATOM 733 CG PRO A 67 11.345 -21.255 -6.265 1.00 0.00 C ATOM 734 CD PRO A 67 10.640 -20.543 -5.135 1.00 0.00 C ATOM 0 HA PRO A 67 13.768 -20.788 -4.006 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.438 -21.580 -6.600 1.00 0.00 H new ATOM 0 HB3 PRO A 67 12.754 -22.573 -5.328 1.00 0.00 H new ATOM 0 HG2 PRO A 67 11.388 -20.623 -7.152 1.00 0.00 H new ATOM 0 HG3 PRO A 67 10.808 -22.161 -6.545 1.00 0.00 H new ATOM 0 HD2 PRO A 67 10.121 -19.651 -5.487 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.893 -21.182 -4.665 1.00 0.00 H new ATOM 742 N PHE A 68 12.887 -18.189 -5.484 1.00 0.00 N ATOM 743 CA PHE A 68 13.278 -17.019 -6.258 1.00 0.00 C ATOM 744 C PHE A 68 14.163 -16.070 -5.460 1.00 0.00 C ATOM 745 O PHE A 68 14.974 -15.346 -6.035 1.00 0.00 O ATOM 746 CB PHE A 68 12.038 -16.284 -6.763 1.00 0.00 C ATOM 747 CG PHE A 68 11.502 -16.848 -8.046 1.00 0.00 C ATOM 748 CD1 PHE A 68 12.025 -16.445 -9.263 1.00 0.00 C ATOM 749 CD2 PHE A 68 10.483 -17.785 -8.034 1.00 0.00 C ATOM 750 CE1 PHE A 68 11.541 -16.968 -10.445 1.00 0.00 C ATOM 751 CE2 PHE A 68 9.994 -18.310 -9.214 1.00 0.00 C ATOM 752 CZ PHE A 68 10.524 -17.900 -10.420 1.00 0.00 C ATOM 0 H PHE A 68 12.001 -18.093 -4.988 1.00 0.00 H new ATOM 0 HA PHE A 68 13.863 -17.372 -7.107 1.00 0.00 H new ATOM 0 HB2 PHE A 68 11.261 -16.329 -6.000 1.00 0.00 H new ATOM 0 HB3 PHE A 68 12.281 -15.232 -6.909 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.820 -15.714 -9.288 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.066 -18.109 -7.092 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.958 -16.648 -11.389 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.198 -19.040 -9.193 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.143 -18.309 -11.344 1.00 0.00 H new ATOM 762 N GLY A 69 14.017 -16.070 -4.144 1.00 0.00 N ATOM 763 CA GLY A 69 14.887 -15.265 -3.317 1.00 0.00 C ATOM 764 C GLY A 69 14.217 -13.982 -2.898 1.00 0.00 C ATOM 765 O GLY A 69 14.863 -12.934 -2.805 1.00 0.00 O ATOM 0 H GLY A 69 13.316 -16.610 -3.637 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.177 -15.832 -2.432 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.802 -15.037 -3.863 1.00 0.00 H new ATOM 769 N THR A 70 12.917 -14.059 -2.668 1.00 0.00 N ATOM 770 CA THR A 70 12.154 -12.909 -2.234 1.00 0.00 C ATOM 771 C THR A 70 12.417 -12.635 -0.755 1.00 0.00 C ATOM 772 O THR A 70 11.720 -13.143 0.125 1.00 0.00 O ATOM 773 CB THR A 70 10.649 -13.116 -2.481 1.00 0.00 C ATOM 774 OG1 THR A 70 10.460 -13.821 -3.717 1.00 0.00 O ATOM 775 CG2 THR A 70 9.913 -11.783 -2.536 1.00 0.00 C ATOM 0 H THR A 70 12.369 -14.912 -2.776 1.00 0.00 H new ATOM 0 HA THR A 70 12.474 -12.046 -2.818 1.00 0.00 H new ATOM 0 HB THR A 70 10.241 -13.698 -1.654 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.872 -14.590 -3.568 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.852 -11.960 -2.712 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.041 -11.257 -1.590 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.318 -11.177 -3.346 1.00 0.00 H new ATOM 783 N ASN A 71 13.430 -11.824 -0.491 1.00 0.00 N ATOM 784 CA ASN A 71 13.909 -11.603 0.866 1.00 0.00 C ATOM 785 C ASN A 71 13.155 -10.467 1.541 1.00 0.00 C ATOM 786 O ASN A 71 13.753 -9.531 2.075 1.00 0.00 O ATOM 787 CB ASN A 71 15.410 -11.312 0.862 1.00 0.00 C ATOM 788 CG ASN A 71 16.255 -12.532 0.526 1.00 0.00 C ATOM 789 OD1 ASN A 71 17.427 -12.405 0.180 1.00 0.00 O ATOM 790 ND2 ASN A 71 15.670 -13.720 0.618 1.00 0.00 N ATOM 0 H ASN A 71 13.940 -11.304 -1.205 1.00 0.00 H new ATOM 0 HA ASN A 71 13.727 -12.514 1.436 1.00 0.00 H new ATOM 0 HB2 ASN A 71 15.619 -10.523 0.140 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.703 -10.933 1.841 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.196 -14.566 0.398 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.695 -13.787 0.909 1.00 0.00 H new ATOM 797 N THR A 72 11.838 -10.554 1.508 1.00 0.00 N ATOM 798 CA THR A 72 10.987 -9.592 2.180 1.00 0.00 C ATOM 799 C THR A 72 9.744 -10.287 2.705 1.00 0.00 C ATOM 800 O THR A 72 9.034 -10.961 1.957 1.00 0.00 O ATOM 801 CB THR A 72 10.572 -8.446 1.239 1.00 0.00 C ATOM 802 OG1 THR A 72 10.926 -8.772 -0.113 1.00 0.00 O ATOM 803 CG2 THR A 72 11.242 -7.143 1.637 1.00 0.00 C ATOM 0 H THR A 72 11.331 -11.290 1.017 1.00 0.00 H new ATOM 0 HA THR A 72 11.555 -9.164 3.006 1.00 0.00 H new ATOM 0 HB THR A 72 9.492 -8.318 1.317 1.00 0.00 H new ATOM 0 HG1 THR A 72 10.658 -8.040 -0.707 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.931 -6.351 0.956 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.952 -6.881 2.655 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.325 -7.260 1.587 1.00 0.00 H new ATOM 811 N TRP A 73 9.485 -10.137 3.990 1.00 0.00 N ATOM 812 CA TRP A 73 8.345 -10.785 4.606 1.00 0.00 C ATOM 813 C TRP A 73 7.231 -9.782 4.837 1.00 0.00 C ATOM 814 O TRP A 73 7.420 -8.773 5.512 1.00 0.00 O ATOM 815 CB TRP A 73 8.749 -11.439 5.928 1.00 0.00 C ATOM 816 CG TRP A 73 9.023 -12.906 5.803 1.00 0.00 C ATOM 817 CD1 TRP A 73 8.530 -13.754 4.853 1.00 0.00 C ATOM 818 CD2 TRP A 73 9.853 -13.699 6.659 1.00 0.00 C ATOM 819 NE1 TRP A 73 9.004 -15.024 5.065 1.00 0.00 N ATOM 820 CE2 TRP A 73 9.818 -15.017 6.169 1.00 0.00 C ATOM 821 CE3 TRP A 73 10.624 -13.420 7.791 1.00 0.00 C ATOM 822 CZ2 TRP A 73 10.526 -16.056 6.774 1.00 0.00 C ATOM 823 CZ3 TRP A 73 11.323 -14.450 8.392 1.00 0.00 C ATOM 824 CH2 TRP A 73 11.271 -15.755 7.882 1.00 0.00 C ATOM 0 H TRP A 73 10.048 -9.573 4.626 1.00 0.00 H new ATOM 0 HA TRP A 73 7.984 -11.561 3.931 1.00 0.00 H new ATOM 0 HB2 TRP A 73 9.639 -10.942 6.315 1.00 0.00 H new ATOM 0 HB3 TRP A 73 7.955 -11.286 6.659 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.865 -13.467 4.052 1.00 0.00 H new ATOM 0 HE1 TRP A 73 8.786 -15.841 4.494 1.00 0.00 H new ATOM 0 HE3 TRP A 73 10.673 -12.417 8.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 10.488 -17.062 6.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 11.919 -14.246 9.269 1.00 0.00 H new ATOM 0 HH2 TRP A 73 11.830 -16.538 8.373 1.00 0.00 H new ATOM 835 N PHE A 74 6.079 -10.058 4.257 1.00 0.00 N ATOM 836 CA PHE A 74 4.922 -9.194 4.401 1.00 0.00 C ATOM 837 C PHE A 74 3.922 -9.824 5.357 1.00 0.00 C ATOM 838 O PHE A 74 3.377 -10.892 5.081 1.00 0.00 O ATOM 839 CB PHE A 74 4.265 -8.955 3.041 1.00 0.00 C ATOM 840 CG PHE A 74 4.820 -7.771 2.303 1.00 0.00 C ATOM 841 CD1 PHE A 74 4.372 -6.491 2.585 1.00 0.00 C ATOM 842 CD2 PHE A 74 5.787 -7.939 1.326 1.00 0.00 C ATOM 843 CE1 PHE A 74 4.879 -5.401 1.905 1.00 0.00 C ATOM 844 CE2 PHE A 74 6.297 -6.852 0.645 1.00 0.00 C ATOM 845 CZ PHE A 74 5.843 -5.581 0.935 1.00 0.00 C ATOM 0 H PHE A 74 5.918 -10.881 3.677 1.00 0.00 H new ATOM 0 HA PHE A 74 5.248 -8.235 4.805 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.389 -9.846 2.426 1.00 0.00 H new ATOM 0 HB3 PHE A 74 3.194 -8.813 3.185 1.00 0.00 H new ATOM 0 HD1 PHE A 74 3.618 -6.344 3.344 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.146 -8.931 1.094 1.00 0.00 H new ATOM 0 HE1 PHE A 74 4.521 -4.408 2.133 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.051 -6.996 -0.115 1.00 0.00 H new ATOM 0 HZ PHE A 74 6.242 -4.730 0.404 1.00 0.00 H new ATOM 855 N TYR A 75 3.703 -9.178 6.489 1.00 0.00 N ATOM 856 CA TYR A 75 2.767 -9.678 7.477 1.00 0.00 C ATOM 857 C TYR A 75 1.648 -8.675 7.710 1.00 0.00 C ATOM 858 O TYR A 75 1.879 -7.463 7.737 1.00 0.00 O ATOM 859 CB TYR A 75 3.495 -9.976 8.789 1.00 0.00 C ATOM 860 CG TYR A 75 4.138 -11.346 8.830 1.00 0.00 C ATOM 861 CD1 TYR A 75 3.432 -12.446 9.293 1.00 0.00 C ATOM 862 CD2 TYR A 75 5.447 -11.535 8.406 1.00 0.00 C ATOM 863 CE1 TYR A 75 4.012 -13.699 9.335 1.00 0.00 C ATOM 864 CE2 TYR A 75 6.036 -12.785 8.444 1.00 0.00 C ATOM 865 CZ TYR A 75 5.315 -13.863 8.909 1.00 0.00 C ATOM 866 OH TYR A 75 5.896 -15.110 8.949 1.00 0.00 O ATOM 0 H TYR A 75 4.162 -8.304 6.746 1.00 0.00 H new ATOM 0 HA TYR A 75 2.327 -10.602 7.101 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.263 -9.219 8.948 1.00 0.00 H new ATOM 0 HB3 TYR A 75 2.788 -9.891 9.614 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.412 -12.321 9.626 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.014 -10.692 8.041 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.449 -14.546 9.699 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.055 -12.916 8.111 1.00 0.00 H new ATOM 0 HH TYR A 75 6.559 -15.185 8.232 1.00 0.00 H new ATOM 876 N VAL A 76 0.438 -9.184 7.871 1.00 0.00 N ATOM 877 CA VAL A 76 -0.718 -8.338 8.105 1.00 0.00 C ATOM 878 C VAL A 76 -0.846 -8.006 9.592 1.00 0.00 C ATOM 879 O VAL A 76 -0.796 -8.888 10.451 1.00 0.00 O ATOM 880 CB VAL A 76 -2.019 -9.000 7.585 1.00 0.00 C ATOM 881 CG1 VAL A 76 -2.217 -10.386 8.185 1.00 0.00 C ATOM 882 CG2 VAL A 76 -3.229 -8.116 7.859 1.00 0.00 C ATOM 0 H VAL A 76 0.231 -10.182 7.844 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.570 -7.412 7.549 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.918 -9.116 6.506 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.139 -10.821 7.799 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.374 -11.023 7.916 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.280 -10.307 9.270 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.129 -8.604 7.484 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.325 -7.953 8.932 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.100 -7.157 7.357 1.00 0.00 H new ATOM 892 N PHE A 77 -0.984 -6.724 9.884 1.00 0.00 N ATOM 893 CA PHE A 77 -1.105 -6.258 11.254 1.00 0.00 C ATOM 894 C PHE A 77 -2.495 -5.689 11.494 1.00 0.00 C ATOM 895 O PHE A 77 -3.353 -5.740 10.613 1.00 0.00 O ATOM 896 CB PHE A 77 -0.046 -5.193 11.542 1.00 0.00 C ATOM 897 CG PHE A 77 1.029 -5.643 12.490 1.00 0.00 C ATOM 898 CD1 PHE A 77 1.499 -6.947 12.461 1.00 0.00 C ATOM 899 CD2 PHE A 77 1.573 -4.760 13.409 1.00 0.00 C ATOM 900 CE1 PHE A 77 2.489 -7.359 13.329 1.00 0.00 C ATOM 901 CE2 PHE A 77 2.563 -5.170 14.280 1.00 0.00 C ATOM 902 CZ PHE A 77 3.020 -6.470 14.239 1.00 0.00 C ATOM 0 H PHE A 77 -1.015 -5.983 9.184 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.950 -7.102 11.926 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.416 -4.890 10.602 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.535 -4.311 11.955 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.086 -7.648 11.751 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.219 -3.740 13.444 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.848 -8.377 13.296 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.979 -4.473 14.993 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.794 -6.792 14.920 1.00 0.00 H new ATOM 912 N ARG A 78 -2.718 -5.155 12.682 1.00 0.00 N ATOM 913 CA ARG A 78 -3.996 -4.548 13.009 1.00 0.00 C ATOM 914 C ARG A 78 -3.792 -3.141 13.542 1.00 0.00 C ATOM 915 O ARG A 78 -3.051 -2.928 14.504 1.00 0.00 O ATOM 916 CB ARG A 78 -4.753 -5.394 14.029 1.00 0.00 C ATOM 917 CG ARG A 78 -5.888 -6.200 13.421 1.00 0.00 C ATOM 918 CD ARG A 78 -5.571 -7.685 13.419 1.00 0.00 C ATOM 919 NE ARG A 78 -6.500 -8.444 12.588 1.00 0.00 N ATOM 920 CZ ARG A 78 -7.517 -9.161 13.064 1.00 0.00 C ATOM 921 NH1 ARG A 78 -7.776 -9.186 14.367 1.00 0.00 N ATOM 922 NH2 ARG A 78 -8.293 -9.836 12.229 1.00 0.00 N ATOM 0 H ARG A 78 -2.031 -5.129 13.436 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.591 -4.496 12.097 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.054 -6.074 14.516 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.155 -4.742 14.804 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.805 -6.022 13.983 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.070 -5.863 12.400 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.554 -7.838 13.057 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.606 -8.064 14.440 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.362 -8.424 11.578 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.194 -8.653 15.013 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.557 -9.738 14.721 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.111 -9.806 11.226 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.073 -10.386 12.589 1.00 0.00 H new ATOM 936 N GLN A 79 -4.431 -2.181 12.897 1.00 0.00 N ATOM 937 CA GLN A 79 -4.321 -0.787 13.292 1.00 0.00 C ATOM 938 C GLN A 79 -5.186 -0.501 14.513 1.00 0.00 C ATOM 939 O GLN A 79 -6.021 -1.319 14.904 1.00 0.00 O ATOM 940 CB GLN A 79 -4.738 0.121 12.132 1.00 0.00 C ATOM 941 CG GLN A 79 -3.707 1.178 11.780 1.00 0.00 C ATOM 942 CD GLN A 79 -3.811 2.408 12.659 1.00 0.00 C ATOM 943 OE1 GLN A 79 -3.151 2.500 13.694 1.00 0.00 O ATOM 944 NE2 GLN A 79 -4.642 3.355 12.256 1.00 0.00 N ATOM 0 H GLN A 79 -5.036 -2.343 12.092 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.282 -0.584 13.551 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -4.929 -0.494 11.252 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.677 0.613 12.387 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.708 0.752 11.874 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.832 1.469 10.737 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -5.169 3.237 11.391 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.755 4.204 12.810 1.00 0.00 H new ATOM 953 N GLN A 80 -4.968 0.657 15.117 1.00 0.00 N ATOM 954 CA GLN A 80 -5.777 1.109 16.238 1.00 0.00 C ATOM 955 C GLN A 80 -6.771 2.151 15.742 1.00 0.00 C ATOM 956 O GLN A 80 -6.449 3.337 15.647 1.00 0.00 O ATOM 957 CB GLN A 80 -4.887 1.690 17.337 1.00 0.00 C ATOM 958 CG GLN A 80 -3.876 0.692 17.892 1.00 0.00 C ATOM 959 CD GLN A 80 -2.547 0.736 17.159 1.00 0.00 C ATOM 960 OE1 GLN A 80 -1.832 1.736 17.207 1.00 0.00 O ATOM 961 NE2 GLN A 80 -2.208 -0.346 16.474 1.00 0.00 N ATOM 0 H GLN A 80 -4.230 1.307 14.846 1.00 0.00 H new ATOM 0 HA GLN A 80 -6.321 0.265 16.661 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -4.353 2.554 16.942 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -5.516 2.049 18.152 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -3.710 0.899 18.949 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -4.290 -0.314 17.825 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -2.829 -1.155 16.459 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -1.326 -0.370 15.962 1.00 0.00 H new ATOM 970 N PRO A 81 -7.986 1.710 15.395 1.00 0.00 N ATOM 971 CA PRO A 81 -8.960 2.535 14.701 1.00 0.00 C ATOM 972 C PRO A 81 -9.938 3.257 15.622 1.00 0.00 C ATOM 973 O PRO A 81 -10.063 2.945 16.811 1.00 0.00 O ATOM 974 CB PRO A 81 -9.698 1.497 13.859 1.00 0.00 C ATOM 975 CG PRO A 81 -9.681 0.247 14.686 1.00 0.00 C ATOM 976 CD PRO A 81 -8.519 0.364 15.649 1.00 0.00 C ATOM 0 HA PRO A 81 -8.485 3.345 14.147 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.718 1.815 13.645 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.204 1.343 12.900 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.620 0.131 15.228 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.568 -0.632 14.052 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -8.844 0.251 16.683 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.768 -0.405 15.465 1.00 0.00 H new ATOM 984 N GLY A 82 -10.612 4.239 15.048 1.00 0.00 N ATOM 985 CA GLY A 82 -11.702 4.911 15.717 1.00 0.00 C ATOM 986 C GLY A 82 -12.877 5.042 14.783 1.00 0.00 C ATOM 987 O GLY A 82 -13.533 4.050 14.466 1.00 0.00 O ATOM 0 H GLY A 82 -10.417 4.588 14.110 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.994 4.352 16.606 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -11.381 5.897 16.052 1.00 0.00 H new ATOM 991 N HIS A 83 -13.139 6.250 14.317 1.00 0.00 N ATOM 992 CA HIS A 83 -14.102 6.435 13.243 1.00 0.00 C ATOM 993 C HIS A 83 -13.372 6.789 11.957 1.00 0.00 C ATOM 994 O HIS A 83 -13.969 6.860 10.884 1.00 0.00 O ATOM 995 CB HIS A 83 -15.140 7.501 13.587 1.00 0.00 C ATOM 996 CG HIS A 83 -16.545 7.060 13.293 1.00 0.00 C ATOM 997 ND1 HIS A 83 -17.115 7.150 12.039 1.00 0.00 N ATOM 998 CD2 HIS A 83 -17.492 6.510 14.092 1.00 0.00 C ATOM 999 CE1 HIS A 83 -18.346 6.675 12.080 1.00 0.00 C ATOM 1000 NE2 HIS A 83 -18.599 6.281 13.311 1.00 0.00 N ATOM 0 H HIS A 83 -12.706 7.108 14.659 1.00 0.00 H new ATOM 0 HA HIS A 83 -14.641 5.498 13.105 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -15.057 7.755 14.644 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -14.923 8.408 13.023 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -17.395 6.293 15.145 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -19.030 6.619 11.246 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -19.476 5.872 13.633 1.00 0.00 H new ATOM 1009 N GLU A 84 -12.074 7.008 12.084 1.00 0.00 N ATOM 1010 CA GLU A 84 -11.206 7.209 10.938 1.00 0.00 C ATOM 1011 C GLU A 84 -9.962 6.350 11.105 1.00 0.00 C ATOM 1012 O GLU A 84 -9.833 5.626 12.097 1.00 0.00 O ATOM 1013 CB GLU A 84 -10.824 8.684 10.787 1.00 0.00 C ATOM 1014 CG GLU A 84 -11.336 9.316 9.500 1.00 0.00 C ATOM 1015 CD GLU A 84 -10.394 9.124 8.323 1.00 0.00 C ATOM 1016 OE1 GLU A 84 -9.824 8.023 8.176 1.00 0.00 O ATOM 1017 OE2 GLU A 84 -10.231 10.076 7.531 1.00 0.00 O ATOM 0 H GLU A 84 -11.594 7.051 12.983 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.737 6.915 10.033 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.217 9.242 11.637 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.738 8.775 10.820 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.307 8.887 9.254 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.491 10.383 9.663 1.00 0.00 H new ATOM 1024 N GLY A 85 -9.054 6.435 10.152 1.00 0.00 N ATOM 1025 CA GLY A 85 -7.885 5.588 10.172 1.00 0.00 C ATOM 1026 C GLY A 85 -8.190 4.245 9.549 1.00 0.00 C ATOM 1027 O GLY A 85 -7.688 3.210 9.988 1.00 0.00 O ATOM 0 H GLY A 85 -9.105 7.078 9.362 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.071 6.070 9.630 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.547 5.450 11.199 1.00 0.00 H new ATOM 1031 N VAL A 86 -9.010 4.276 8.508 1.00 0.00 N ATOM 1032 CA VAL A 86 -9.457 3.063 7.844 1.00 0.00 C ATOM 1033 C VAL A 86 -8.513 2.759 6.706 1.00 0.00 C ATOM 1034 O VAL A 86 -8.736 3.149 5.559 1.00 0.00 O ATOM 1035 CB VAL A 86 -10.903 3.177 7.302 1.00 0.00 C ATOM 1036 CG1 VAL A 86 -11.827 2.243 8.068 1.00 0.00 C ATOM 1037 CG2 VAL A 86 -11.406 4.616 7.366 1.00 0.00 C ATOM 0 H VAL A 86 -9.381 5.136 8.104 1.00 0.00 H new ATOM 0 HA VAL A 86 -9.456 2.259 8.580 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.899 2.878 6.254 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -12.841 2.333 7.677 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -11.483 1.215 7.952 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -11.821 2.511 9.125 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -12.424 4.663 6.979 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -11.395 4.960 8.400 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -10.759 5.255 6.765 1.00 0.00 H new ATOM 1047 N THR A 87 -7.462 2.057 7.052 1.00 0.00 N ATOM 1048 CA THR A 87 -6.344 1.822 6.168 1.00 0.00 C ATOM 1049 C THR A 87 -5.519 0.678 6.770 1.00 0.00 C ATOM 1050 O THR A 87 -5.776 0.285 7.908 1.00 0.00 O ATOM 1051 CB THR A 87 -5.522 3.133 6.033 1.00 0.00 C ATOM 1052 OG1 THR A 87 -6.315 4.125 5.372 1.00 0.00 O ATOM 1053 CG2 THR A 87 -4.225 2.949 5.258 1.00 0.00 C ATOM 0 H THR A 87 -7.356 1.625 7.970 1.00 0.00 H new ATOM 0 HA THR A 87 -6.664 1.537 5.166 1.00 0.00 H new ATOM 0 HB THR A 87 -5.258 3.444 7.044 1.00 0.00 H new ATOM 0 HG1 THR A 87 -7.171 3.732 5.100 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.698 3.901 5.199 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.597 2.218 5.767 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.450 2.596 4.251 1.00 0.00 H new ATOM 1061 N GLN A 88 -4.554 0.142 6.047 1.00 0.00 N ATOM 1062 CA GLN A 88 -3.851 -1.038 6.514 1.00 0.00 C ATOM 1063 C GLN A 88 -2.352 -0.813 6.602 1.00 0.00 C ATOM 1064 O GLN A 88 -1.726 -0.345 5.652 1.00 0.00 O ATOM 1065 CB GLN A 88 -4.138 -2.201 5.581 1.00 0.00 C ATOM 1066 CG GLN A 88 -4.013 -3.562 6.242 1.00 0.00 C ATOM 1067 CD GLN A 88 -4.868 -3.690 7.489 1.00 0.00 C ATOM 1068 OE1 GLN A 88 -6.093 -3.783 7.411 1.00 0.00 O ATOM 1069 NE2 GLN A 88 -4.227 -3.701 8.644 1.00 0.00 N ATOM 0 H GLN A 88 -4.241 0.500 5.144 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.210 -1.262 7.519 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.146 -2.093 5.181 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.452 -2.154 4.735 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.300 -4.335 5.529 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.970 -3.740 6.502 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.210 -3.621 8.664 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -4.749 -3.789 9.516 1.00 0.00 H new ATOM 1078 N GLN A 89 -1.785 -1.142 7.751 1.00 0.00 N ATOM 1079 CA GLN A 89 -0.350 -1.119 7.912 1.00 0.00 C ATOM 1080 C GLN A 89 0.205 -2.515 7.657 1.00 0.00 C ATOM 1081 O GLN A 89 -0.396 -3.515 8.063 1.00 0.00 O ATOM 1082 CB GLN A 89 0.030 -0.607 9.308 1.00 0.00 C ATOM 1083 CG GLN A 89 0.119 -1.682 10.378 1.00 0.00 C ATOM 1084 CD GLN A 89 -1.157 -1.806 11.183 1.00 0.00 C ATOM 1085 OE1 GLN A 89 -2.233 -2.031 10.629 1.00 0.00 O ATOM 1086 NE2 GLN A 89 -1.050 -1.656 12.495 1.00 0.00 N ATOM 0 H GLN A 89 -2.301 -1.428 8.583 1.00 0.00 H new ATOM 0 HA GLN A 89 0.088 -0.432 7.188 1.00 0.00 H new ATOM 0 HB2 GLN A 89 0.992 -0.098 9.244 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.704 0.136 9.619 1.00 0.00 H new ATOM 0 HG2 GLN A 89 0.343 -2.640 9.908 1.00 0.00 H new ATOM 0 HG3 GLN A 89 0.947 -1.455 11.049 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -0.139 -1.471 12.914 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -1.879 -1.726 13.086 1.00 0.00 H new ATOM 1095 N THR A 90 1.313 -2.585 6.947 1.00 0.00 N ATOM 1096 CA THR A 90 1.921 -3.859 6.627 1.00 0.00 C ATOM 1097 C THR A 90 3.272 -3.997 7.314 1.00 0.00 C ATOM 1098 O THR A 90 4.119 -3.109 7.216 1.00 0.00 O ATOM 1099 CB THR A 90 2.106 -4.017 5.106 1.00 0.00 C ATOM 1100 OG1 THR A 90 1.668 -2.826 4.432 1.00 0.00 O ATOM 1101 CG2 THR A 90 1.324 -5.214 4.590 1.00 0.00 C ATOM 0 H THR A 90 1.810 -1.773 6.581 1.00 0.00 H new ATOM 0 HA THR A 90 1.252 -4.641 6.986 1.00 0.00 H new ATOM 0 HB THR A 90 3.165 -4.179 4.904 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.790 -2.933 3.466 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.469 -5.307 3.514 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.677 -6.120 5.083 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.264 -5.075 4.803 1.00 0.00 H new ATOM 1109 N LEU A 91 3.473 -5.109 8.001 1.00 0.00 N ATOM 1110 CA LEU A 91 4.741 -5.369 8.652 1.00 0.00 C ATOM 1111 C LEU A 91 5.695 -5.970 7.637 1.00 0.00 C ATOM 1112 O LEU A 91 5.565 -7.136 7.264 1.00 0.00 O ATOM 1113 CB LEU A 91 4.553 -6.317 9.844 1.00 0.00 C ATOM 1114 CG LEU A 91 5.311 -5.925 11.118 1.00 0.00 C ATOM 1115 CD1 LEU A 91 6.770 -6.331 11.013 1.00 0.00 C ATOM 1116 CD2 LEU A 91 5.187 -4.430 11.379 1.00 0.00 C ATOM 0 H LEU A 91 2.775 -5.843 8.121 1.00 0.00 H new ATOM 0 HA LEU A 91 5.154 -4.435 9.034 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.490 -6.375 10.077 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.869 -7.317 9.546 1.00 0.00 H new ATOM 0 HG LEU A 91 4.866 -6.455 11.960 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.294 -6.046 11.925 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.838 -7.410 10.878 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.227 -5.829 10.160 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.732 -4.173 12.287 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.604 -3.878 10.537 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.136 -4.168 11.500 1.00 0.00 H new ATOM 1128 N THR A 92 6.634 -5.162 7.176 1.00 0.00 N ATOM 1129 CA THR A 92 7.543 -5.579 6.127 1.00 0.00 C ATOM 1130 C THR A 92 8.927 -5.880 6.683 1.00 0.00 C ATOM 1131 O THR A 92 9.651 -4.981 7.105 1.00 0.00 O ATOM 1132 CB THR A 92 7.649 -4.506 5.030 1.00 0.00 C ATOM 1133 OG1 THR A 92 6.352 -3.948 4.779 1.00 0.00 O ATOM 1134 CG2 THR A 92 8.214 -5.092 3.744 1.00 0.00 C ATOM 0 H THR A 92 6.786 -4.212 7.514 1.00 0.00 H new ATOM 0 HA THR A 92 7.136 -6.491 5.691 1.00 0.00 H new ATOM 0 HB THR A 92 8.327 -3.725 5.375 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.966 -4.364 3.980 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.278 -4.311 2.986 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.209 -5.495 3.934 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.561 -5.889 3.390 1.00 0.00 H new ATOM 1142 N LEU A 93 9.277 -7.148 6.697 1.00 0.00 N ATOM 1143 CA LEU A 93 10.597 -7.560 7.123 1.00 0.00 C ATOM 1144 C LEU A 93 11.540 -7.549 5.933 1.00 0.00 C ATOM 1145 O LEU A 93 11.229 -8.104 4.881 1.00 0.00 O ATOM 1146 CB LEU A 93 10.551 -8.952 7.746 1.00 0.00 C ATOM 1147 CG LEU A 93 9.913 -9.023 9.136 1.00 0.00 C ATOM 1148 CD1 LEU A 93 8.482 -9.532 9.044 1.00 0.00 C ATOM 1149 CD2 LEU A 93 10.738 -9.913 10.053 1.00 0.00 C ATOM 0 H LEU A 93 8.664 -7.914 6.417 1.00 0.00 H new ATOM 0 HA LEU A 93 10.959 -6.861 7.877 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.001 -9.614 7.077 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.568 -9.338 7.811 1.00 0.00 H new ATOM 0 HG LEU A 93 9.892 -8.018 9.557 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.046 -9.575 10.042 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.895 -8.857 8.421 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.478 -10.529 8.603 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.271 -9.953 11.037 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.790 -10.918 9.635 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.745 -9.506 10.145 1.00 0.00 H new ATOM 1161 N THR A 94 12.688 -6.925 6.109 1.00 0.00 N ATOM 1162 CA THR A 94 13.646 -6.771 5.037 1.00 0.00 C ATOM 1163 C THR A 94 14.969 -7.326 5.496 1.00 0.00 C ATOM 1164 O THR A 94 15.528 -6.855 6.481 1.00 0.00 O ATOM 1165 CB THR A 94 13.811 -5.291 4.642 1.00 0.00 C ATOM 1166 OG1 THR A 94 12.683 -4.534 5.109 1.00 0.00 O ATOM 1167 CG2 THR A 94 13.949 -5.138 3.136 1.00 0.00 C ATOM 0 H THR A 94 12.980 -6.513 6.995 1.00 0.00 H new ATOM 0 HA THR A 94 13.288 -7.310 4.160 1.00 0.00 H new ATOM 0 HB THR A 94 14.721 -4.913 5.107 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.985 -3.654 5.418 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.064 -4.083 2.886 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.824 -5.690 2.793 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.058 -5.531 2.647 1.00 0.00 H new ATOM 1175 N PHE A 95 15.457 -8.344 4.816 1.00 0.00 N ATOM 1176 CA PHE A 95 16.647 -9.029 5.272 1.00 0.00 C ATOM 1177 C PHE A 95 17.514 -9.479 4.110 1.00 0.00 C ATOM 1178 O PHE A 95 17.023 -9.720 3.010 1.00 0.00 O ATOM 1179 CB PHE A 95 16.260 -10.218 6.161 1.00 0.00 C ATOM 1180 CG PHE A 95 15.452 -11.283 5.477 1.00 0.00 C ATOM 1181 CD1 PHE A 95 14.084 -11.142 5.303 1.00 0.00 C ATOM 1182 CD2 PHE A 95 16.066 -12.431 5.019 1.00 0.00 C ATOM 1183 CE1 PHE A 95 13.346 -12.128 4.681 1.00 0.00 C ATOM 1184 CE2 PHE A 95 15.335 -13.425 4.393 1.00 0.00 C ATOM 1185 CZ PHE A 95 13.971 -13.272 4.224 1.00 0.00 C ATOM 0 H PHE A 95 15.052 -8.711 3.955 1.00 0.00 H new ATOM 0 HA PHE A 95 17.238 -8.327 5.860 1.00 0.00 H new ATOM 0 HB2 PHE A 95 17.170 -10.670 6.555 1.00 0.00 H new ATOM 0 HB3 PHE A 95 15.694 -9.845 7.015 1.00 0.00 H new ATOM 0 HD1 PHE A 95 13.590 -10.250 5.659 1.00 0.00 H new ATOM 0 HD2 PHE A 95 17.131 -12.555 5.151 1.00 0.00 H new ATOM 0 HE1 PHE A 95 12.281 -12.006 4.552 1.00 0.00 H new ATOM 0 HE2 PHE A 95 15.828 -14.318 4.037 1.00 0.00 H new ATOM 0 HZ PHE A 95 13.396 -14.045 3.736 1.00 0.00 H new ATOM 1195 N ASN A 96 18.809 -9.572 4.369 1.00 0.00 N ATOM 1196 CA ASN A 96 19.758 -10.054 3.380 1.00 0.00 C ATOM 1197 C ASN A 96 19.681 -11.572 3.293 1.00 0.00 C ATOM 1198 O ASN A 96 19.308 -12.233 4.268 1.00 0.00 O ATOM 1199 CB ASN A 96 21.180 -9.617 3.751 1.00 0.00 C ATOM 1200 CG ASN A 96 22.149 -9.764 2.593 1.00 0.00 C ATOM 1201 OD1 ASN A 96 22.599 -10.864 2.279 1.00 0.00 O ATOM 1202 ND2 ASN A 96 22.480 -8.656 1.954 1.00 0.00 N ATOM 0 H ASN A 96 19.228 -9.318 5.263 1.00 0.00 H new ATOM 0 HA ASN A 96 19.507 -9.627 2.409 1.00 0.00 H new ATOM 0 HB2 ASN A 96 21.164 -8.578 4.079 1.00 0.00 H new ATOM 0 HB3 ASN A 96 21.532 -10.212 4.594 1.00 0.00 H new ATOM 0 HD21 ASN A 96 23.131 -8.695 1.170 1.00 0.00 H new ATOM 0 HD22 ASN A 96 22.085 -7.762 2.245 1.00 0.00 H new ATOM 1209 N SER A 97 20.059 -12.118 2.138 1.00 0.00 N ATOM 1210 CA SER A 97 19.980 -13.553 1.876 1.00 0.00 C ATOM 1211 C SER A 97 20.847 -14.359 2.844 1.00 0.00 C ATOM 1212 O SER A 97 20.704 -15.576 2.952 1.00 0.00 O ATOM 1213 CB SER A 97 20.393 -13.821 0.432 1.00 0.00 C ATOM 1214 OG SER A 97 19.990 -12.747 -0.402 1.00 0.00 O ATOM 0 H SER A 97 20.429 -11.576 1.357 1.00 0.00 H new ATOM 0 HA SER A 97 18.950 -13.876 2.031 1.00 0.00 H new ATOM 0 HB2 SER A 97 21.474 -13.950 0.374 1.00 0.00 H new ATOM 0 HB3 SER A 97 19.942 -14.750 0.084 1.00 0.00 H new ATOM 0 HG SER A 97 19.034 -12.574 -0.273 1.00 0.00 H new ATOM 1220 N SER A 98 21.739 -13.678 3.552 1.00 0.00 N ATOM 1221 CA SER A 98 22.523 -14.313 4.602 1.00 0.00 C ATOM 1222 C SER A 98 21.653 -14.584 5.835 1.00 0.00 C ATOM 1223 O SER A 98 22.109 -15.161 6.822 1.00 0.00 O ATOM 1224 CB SER A 98 23.707 -13.423 4.966 1.00 0.00 C ATOM 1225 OG SER A 98 24.226 -12.789 3.811 1.00 0.00 O ATOM 0 H SER A 98 21.937 -12.686 3.418 1.00 0.00 H new ATOM 0 HA SER A 98 22.897 -15.269 4.237 1.00 0.00 H new ATOM 0 HB2 SER A 98 23.395 -12.671 5.691 1.00 0.00 H new ATOM 0 HB3 SER A 98 24.486 -14.020 5.441 1.00 0.00 H new ATOM 0 HG SER A 98 23.617 -12.076 3.528 1.00 0.00 H new ATOM 1231 N GLY A 99 20.399 -14.145 5.766 1.00 0.00 N ATOM 1232 CA GLY A 99 19.444 -14.409 6.821 1.00 0.00 C ATOM 1233 C GLY A 99 19.343 -13.269 7.811 1.00 0.00 C ATOM 1234 O GLY A 99 18.641 -13.372 8.803 1.00 0.00 O ATOM 0 H GLY A 99 20.027 -13.604 4.986 1.00 0.00 H new ATOM 0 HA2 GLY A 99 18.463 -14.592 6.381 1.00 0.00 H new ATOM 0 HA3 GLY A 99 19.732 -15.319 7.348 1.00 0.00 H new ATOM 1238 N VAL A 100 20.015 -12.172 7.521 1.00 0.00 N ATOM 1239 CA VAL A 100 20.129 -11.070 8.462 1.00 0.00 C ATOM 1240 C VAL A 100 19.101 -9.983 8.162 1.00 0.00 C ATOM 1241 O VAL A 100 19.174 -9.332 7.121 1.00 0.00 O ATOM 1242 CB VAL A 100 21.552 -10.467 8.418 1.00 0.00 C ATOM 1243 CG1 VAL A 100 21.670 -9.264 9.339 1.00 0.00 C ATOM 1244 CG2 VAL A 100 22.584 -11.522 8.784 1.00 0.00 C ATOM 0 H VAL A 100 20.495 -12.018 6.634 1.00 0.00 H new ATOM 0 HA VAL A 100 19.937 -11.464 9.460 1.00 0.00 H new ATOM 0 HB VAL A 100 21.743 -10.127 7.400 1.00 0.00 H new ATOM 0 HG11 VAL A 100 22.682 -8.863 9.286 1.00 0.00 H new ATOM 0 HG12 VAL A 100 20.959 -8.498 9.030 1.00 0.00 H new ATOM 0 HG13 VAL A 100 21.454 -9.567 10.363 1.00 0.00 H new ATOM 0 HG21 VAL A 100 23.581 -11.083 8.749 1.00 0.00 H new ATOM 0 HG22 VAL A 100 22.385 -11.892 9.790 1.00 0.00 H new ATOM 0 HG23 VAL A 100 22.526 -12.349 8.076 1.00 0.00 H new ATOM 1254 N LEU A 101 18.135 -9.822 9.066 1.00 0.00 N ATOM 1255 CA LEU A 101 17.143 -8.747 8.973 1.00 0.00 C ATOM 1256 C LEU A 101 17.846 -7.393 8.880 1.00 0.00 C ATOM 1257 O LEU A 101 18.327 -6.874 9.884 1.00 0.00 O ATOM 1258 CB LEU A 101 16.243 -8.763 10.215 1.00 0.00 C ATOM 1259 CG LEU A 101 14.794 -9.201 9.988 1.00 0.00 C ATOM 1260 CD1 LEU A 101 14.096 -8.265 9.017 1.00 0.00 C ATOM 1261 CD2 LEU A 101 14.740 -10.636 9.485 1.00 0.00 C ATOM 0 H LEU A 101 18.017 -10.427 9.878 1.00 0.00 H new ATOM 0 HA LEU A 101 16.538 -8.903 8.080 1.00 0.00 H new ATOM 0 HB2 LEU A 101 16.691 -9.426 10.955 1.00 0.00 H new ATOM 0 HB3 LEU A 101 16.236 -7.762 10.647 1.00 0.00 H new ATOM 0 HG LEU A 101 14.270 -9.154 10.942 1.00 0.00 H new ATOM 0 HD11 LEU A 101 13.067 -8.594 8.870 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.098 -7.253 9.422 1.00 0.00 H new ATOM 0 HD13 LEU A 101 14.620 -8.275 8.061 1.00 0.00 H new ATOM 0 HD21 LEU A 101 13.701 -10.928 9.330 1.00 0.00 H new ATOM 0 HD22 LEU A 101 15.283 -10.712 8.543 1.00 0.00 H new ATOM 0 HD23 LEU A 101 15.197 -11.297 10.221 1.00 0.00 H new ATOM 1273 N THR A 102 17.897 -6.819 7.690 1.00 0.00 N ATOM 1274 CA THR A 102 18.625 -5.584 7.476 1.00 0.00 C ATOM 1275 C THR A 102 17.847 -4.399 8.037 1.00 0.00 C ATOM 1276 O THR A 102 18.438 -3.413 8.489 1.00 0.00 O ATOM 1277 CB THR A 102 18.906 -5.374 5.977 1.00 0.00 C ATOM 1278 OG1 THR A 102 18.019 -6.190 5.203 1.00 0.00 O ATOM 1279 CG2 THR A 102 20.344 -5.744 5.646 1.00 0.00 C ATOM 0 H THR A 102 17.441 -7.191 6.857 1.00 0.00 H new ATOM 0 HA THR A 102 19.577 -5.655 8.002 1.00 0.00 H new ATOM 0 HB THR A 102 18.747 -4.322 5.738 1.00 0.00 H new ATOM 0 HG1 THR A 102 18.198 -6.054 4.249 1.00 0.00 H new ATOM 0 HG21 THR A 102 20.524 -5.589 4.582 1.00 0.00 H new ATOM 0 HG22 THR A 102 21.023 -5.117 6.224 1.00 0.00 H new ATOM 0 HG23 THR A 102 20.517 -6.791 5.894 1.00 0.00 H new ATOM 1287 N ASN A 103 16.522 -4.504 8.014 1.00 0.00 N ATOM 1288 CA ASN A 103 15.650 -3.499 8.619 1.00 0.00 C ATOM 1289 C ASN A 103 14.209 -3.988 8.634 1.00 0.00 C ATOM 1290 O ASN A 103 13.810 -4.807 7.806 1.00 0.00 O ATOM 1291 CB ASN A 103 15.754 -2.149 7.879 1.00 0.00 C ATOM 1292 CG ASN A 103 14.621 -1.897 6.897 1.00 0.00 C ATOM 1293 OD1 ASN A 103 14.665 -2.343 5.752 1.00 0.00 O ATOM 1294 ND2 ASN A 103 13.606 -1.163 7.334 1.00 0.00 N ATOM 0 H ASN A 103 16.024 -5.281 7.580 1.00 0.00 H new ATOM 0 HA ASN A 103 15.979 -3.343 9.646 1.00 0.00 H new ATOM 0 HB2 ASN A 103 15.771 -1.344 8.613 1.00 0.00 H new ATOM 0 HB3 ASN A 103 16.702 -2.112 7.342 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.825 -0.951 6.713 1.00 0.00 H new ATOM 0 HD22 ASN A 103 13.606 -0.811 8.291 1.00 0.00 H new ATOM 1301 N ILE A 104 13.436 -3.502 9.589 1.00 0.00 N ATOM 1302 CA ILE A 104 12.026 -3.838 9.667 1.00 0.00 C ATOM 1303 C ILE A 104 11.185 -2.603 9.382 1.00 0.00 C ATOM 1304 O ILE A 104 11.454 -1.520 9.903 1.00 0.00 O ATOM 1305 CB ILE A 104 11.634 -4.400 11.055 1.00 0.00 C ATOM 1306 CG1 ILE A 104 12.048 -5.871 11.174 1.00 0.00 C ATOM 1307 CG2 ILE A 104 10.134 -4.241 11.289 1.00 0.00 C ATOM 1308 CD1 ILE A 104 12.734 -6.205 12.480 1.00 0.00 C ATOM 0 H ILE A 104 13.762 -2.872 10.322 1.00 0.00 H new ATOM 0 HA ILE A 104 11.838 -4.611 8.922 1.00 0.00 H new ATOM 0 HB ILE A 104 12.163 -3.833 11.821 1.00 0.00 H new ATOM 0 HG12 ILE A 104 11.163 -6.498 11.068 1.00 0.00 H new ATOM 0 HG13 ILE A 104 12.716 -6.119 10.349 1.00 0.00 H new ATOM 0 HG21 ILE A 104 9.874 -4.641 12.269 1.00 0.00 H new ATOM 0 HG22 ILE A 104 9.869 -3.185 11.246 1.00 0.00 H new ATOM 0 HG23 ILE A 104 9.586 -4.784 10.519 1.00 0.00 H new ATOM 0 HD11 ILE A 104 12.998 -7.263 12.492 1.00 0.00 H new ATOM 0 HD12 ILE A 104 13.638 -5.604 12.580 1.00 0.00 H new ATOM 0 HD13 ILE A 104 12.061 -5.989 13.310 1.00 0.00 H new ATOM 1320 N ASP A 105 10.178 -2.765 8.549 1.00 0.00 N ATOM 1321 CA ASP A 105 9.239 -1.696 8.299 1.00 0.00 C ATOM 1322 C ASP A 105 8.064 -1.795 9.260 1.00 0.00 C ATOM 1323 O ASP A 105 7.168 -2.619 9.079 1.00 0.00 O ATOM 1324 CB ASP A 105 8.740 -1.757 6.861 1.00 0.00 C ATOM 1325 CG ASP A 105 8.353 -0.394 6.330 1.00 0.00 C ATOM 1326 OD1 ASP A 105 9.258 0.426 6.074 1.00 0.00 O ATOM 1327 OD2 ASP A 105 7.147 -0.127 6.189 1.00 0.00 O ATOM 0 H ASP A 105 9.990 -3.626 8.035 1.00 0.00 H new ATOM 0 HA ASP A 105 9.746 -0.744 8.456 1.00 0.00 H new ATOM 0 HB2 ASP A 105 9.517 -2.185 6.227 1.00 0.00 H new ATOM 0 HB3 ASP A 105 7.880 -2.424 6.805 1.00 0.00 H new ATOM 1332 N ASN A 106 8.087 -0.966 10.292 1.00 0.00 N ATOM 1333 CA ASN A 106 6.977 -0.884 11.227 1.00 0.00 C ATOM 1334 C ASN A 106 6.410 0.524 11.205 1.00 0.00 C ATOM 1335 O ASN A 106 6.963 1.445 11.811 1.00 0.00 O ATOM 1336 CB ASN A 106 7.430 -1.258 12.642 1.00 0.00 C ATOM 1337 CG ASN A 106 6.383 -0.941 13.694 1.00 0.00 C ATOM 1338 OD1 ASN A 106 5.238 -1.392 13.609 1.00 0.00 O ATOM 1339 ND2 ASN A 106 6.762 -0.149 14.683 1.00 0.00 N ATOM 0 H ASN A 106 8.864 -0.340 10.503 1.00 0.00 H new ATOM 0 HA ASN A 106 6.204 -1.591 10.927 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.662 -2.322 12.675 1.00 0.00 H new ATOM 0 HB3 ASN A 106 8.350 -0.723 12.878 1.00 0.00 H new ATOM 0 HD21 ASN A 106 6.097 0.110 15.412 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.719 0.203 14.717 1.00 0.00 H new ATOM 1346 N LYS A 107 5.313 0.685 10.492 1.00 0.00 N ATOM 1347 CA LYS A 107 4.700 1.986 10.296 1.00 0.00 C ATOM 1348 C LYS A 107 3.188 1.833 10.312 1.00 0.00 C ATOM 1349 O LYS A 107 2.671 0.796 9.898 1.00 0.00 O ATOM 1350 CB LYS A 107 5.163 2.588 8.961 1.00 0.00 C ATOM 1351 CG LYS A 107 6.112 3.775 9.102 1.00 0.00 C ATOM 1352 CD LYS A 107 7.545 3.348 9.427 1.00 0.00 C ATOM 1353 CE LYS A 107 7.991 2.140 8.607 1.00 0.00 C ATOM 1354 NZ LYS A 107 9.174 2.444 7.758 1.00 0.00 N ATOM 0 H LYS A 107 4.821 -0.081 10.032 1.00 0.00 H new ATOM 0 HA LYS A 107 5.001 2.658 11.100 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.656 1.811 8.377 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.287 2.904 8.395 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.109 4.349 8.176 1.00 0.00 H new ATOM 0 HG3 LYS A 107 5.747 4.436 9.888 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.221 4.182 9.239 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.619 3.111 10.488 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.230 1.315 9.278 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.168 1.808 7.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 9.155 1.845 6.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 9.151 3.445 7.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.044 2.255 8.295 1.00 0.00 H new ATOM 1368 N PRO A 108 2.460 2.841 10.812 1.00 0.00 N ATOM 1369 CA PRO A 108 1.002 2.794 10.888 1.00 0.00 C ATOM 1370 C PRO A 108 0.346 2.927 9.517 1.00 0.00 C ATOM 1371 O PRO A 108 0.998 3.283 8.533 1.00 0.00 O ATOM 1372 CB PRO A 108 0.635 3.999 11.769 1.00 0.00 C ATOM 1373 CG PRO A 108 1.925 4.494 12.336 1.00 0.00 C ATOM 1374 CD PRO A 108 2.989 4.097 11.358 1.00 0.00 C ATOM 0 HA PRO A 108 0.654 1.841 11.286 1.00 0.00 H new ATOM 0 HB2 PRO A 108 0.141 4.775 11.184 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -0.055 3.709 12.561 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.902 5.576 12.469 1.00 0.00 H new ATOM 0 HG3 PRO A 108 2.113 4.056 13.316 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.130 4.850 10.583 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.955 3.955 11.843 1.00 0.00 H new ATOM 1382 N ALA A 109 -0.948 2.628 9.459 1.00 0.00 N ATOM 1383 CA ALA A 109 -1.729 2.777 8.236 1.00 0.00 C ATOM 1384 C ALA A 109 -1.987 4.257 7.936 1.00 0.00 C ATOM 1385 O ALA A 109 -3.123 4.733 7.994 1.00 0.00 O ATOM 1386 CB ALA A 109 -3.037 2.013 8.367 1.00 0.00 C ATOM 0 H ALA A 109 -1.482 2.277 10.254 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.164 2.363 7.401 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.618 2.126 7.452 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.826 0.957 8.534 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.606 2.407 9.209 1.00 0.00 H new ATOM 1392 N LEU A 110 -0.914 4.975 7.640 1.00 0.00 N ATOM 1393 CA LEU A 110 -0.966 6.400 7.343 1.00 0.00 C ATOM 1394 C LEU A 110 0.253 6.788 6.514 1.00 0.00 C ATOM 1395 O LEU A 110 1.380 6.785 7.013 1.00 0.00 O ATOM 1396 CB LEU A 110 -0.996 7.217 8.643 1.00 0.00 C ATOM 1397 CG LEU A 110 -1.906 8.451 8.635 1.00 0.00 C ATOM 1398 CD1 LEU A 110 -1.207 9.627 7.972 1.00 0.00 C ATOM 1399 CD2 LEU A 110 -3.226 8.152 7.936 1.00 0.00 C ATOM 0 H LEU A 110 0.026 4.582 7.599 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.874 6.613 6.779 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -1.312 6.561 9.455 1.00 0.00 H new ATOM 0 HB3 LEU A 110 0.020 7.540 8.871 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.123 8.716 9.670 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.869 10.493 7.976 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.295 9.864 8.520 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -0.955 9.368 6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.852 9.044 7.945 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.033 7.854 6.905 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -3.739 7.344 8.457 1.00 0.00 H new ATOM 1411 N SER A 111 0.029 7.085 5.244 1.00 0.00 N ATOM 1412 CA SER A 111 1.101 7.496 4.355 1.00 0.00 C ATOM 1413 C SER A 111 1.663 8.853 4.775 1.00 0.00 C ATOM 1414 O SER A 111 0.922 9.729 5.230 1.00 0.00 O ATOM 1415 CB SER A 111 0.581 7.548 2.918 1.00 0.00 C ATOM 1416 OG SER A 111 -0.484 6.624 2.738 1.00 0.00 O ATOM 0 H SER A 111 -0.891 7.048 4.805 1.00 0.00 H new ATOM 0 HA SER A 111 1.910 6.768 4.415 1.00 0.00 H new ATOM 0 HB2 SER A 111 0.238 8.556 2.686 1.00 0.00 H new ATOM 0 HB3 SER A 111 1.390 7.319 2.224 1.00 0.00 H new ATOM 0 HG SER A 111 -0.806 6.672 1.814 1.00 0.00 H new ATOM 1422 N GLY A 112 2.970 9.019 4.610 1.00 0.00 N ATOM 1423 CA GLY A 112 3.636 10.233 5.040 1.00 0.00 C ATOM 1424 C GLY A 112 3.421 11.382 4.079 1.00 0.00 C ATOM 1425 O GLY A 112 4.364 11.868 3.453 1.00 0.00 O ATOM 0 H GLY A 112 3.585 8.327 4.182 1.00 0.00 H new ATOM 0 HA2 GLY A 112 3.269 10.515 6.027 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.704 10.042 5.140 1.00 0.00 H new ATOM 1429 N ASN A 113 2.175 11.802 3.953 1.00 0.00 N ATOM 1430 CA ASN A 113 1.809 12.909 3.086 1.00 0.00 C ATOM 1431 C ASN A 113 0.470 13.479 3.526 1.00 0.00 C ATOM 1432 O ASN A 113 -0.576 13.094 2.999 1.00 0.00 O ATOM 1433 CB ASN A 113 1.730 12.456 1.625 1.00 0.00 C ATOM 1434 CG ASN A 113 1.656 13.623 0.654 1.00 0.00 C ATOM 1435 OD1 ASN A 113 2.658 14.290 0.390 1.00 0.00 O ATOM 1436 ND2 ASN A 113 0.473 13.874 0.109 1.00 0.00 N ATOM 0 H ASN A 113 1.387 11.385 4.449 1.00 0.00 H new ATOM 0 HA ASN A 113 2.577 13.679 3.162 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.603 11.847 1.390 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.854 11.822 1.492 1.00 0.00 H new ATOM 0 HD21 ASN A 113 0.370 14.642 -0.554 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.333 13.299 0.353 1.00 0.00 H new ATOM 1443 N LEU A 114 0.521 14.362 4.523 1.00 0.00 N ATOM 1444 CA LEU A 114 -0.667 15.017 5.071 1.00 0.00 C ATOM 1445 C LEU A 114 -1.489 14.037 5.917 1.00 0.00 C ATOM 1446 O LEU A 114 -1.463 14.102 7.148 1.00 0.00 O ATOM 1447 CB LEU A 114 -1.515 15.644 3.948 1.00 0.00 C ATOM 1448 CG LEU A 114 -3.026 15.689 4.188 1.00 0.00 C ATOM 1449 CD1 LEU A 114 -3.479 17.110 4.464 1.00 0.00 C ATOM 1450 CD2 LEU A 114 -3.765 15.119 2.988 1.00 0.00 C ATOM 0 H LEU A 114 1.391 14.644 4.975 1.00 0.00 H new ATOM 0 HA LEU A 114 -0.341 15.824 5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.164 16.662 3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -1.330 15.089 3.028 1.00 0.00 H new ATOM 0 HG LEU A 114 -3.257 15.080 5.062 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.556 17.122 4.632 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.969 17.489 5.350 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.238 17.741 3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -4.839 15.156 3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.527 15.707 2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.460 14.085 2.830 1.00 0.00 H new ATOM 1462 N GLU A 115 -2.179 13.116 5.246 1.00 0.00 N ATOM 1463 CA GLU A 115 -3.069 12.165 5.895 1.00 0.00 C ATOM 1464 C GLU A 115 -3.707 11.266 4.841 1.00 0.00 C ATOM 1465 O GLU A 115 -3.562 11.514 3.643 1.00 0.00 O ATOM 1466 CB GLU A 115 -4.173 12.897 6.668 1.00 0.00 C ATOM 1467 CG GLU A 115 -4.237 12.548 8.145 1.00 0.00 C ATOM 1468 CD GLU A 115 -4.826 13.667 8.979 1.00 0.00 C ATOM 1469 OE1 GLU A 115 -5.891 14.202 8.599 1.00 0.00 O ATOM 1470 OE2 GLU A 115 -4.232 14.020 10.017 1.00 0.00 O ATOM 0 H GLU A 115 -2.134 13.011 4.232 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.487 11.566 6.595 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -4.020 13.971 6.567 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -5.135 12.667 6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -4.836 11.647 8.277 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -3.234 12.320 8.505 1.00 0.00 H new ATOM 1477 N HIS A 116 -4.401 10.221 5.281 1.00 0.00 N ATOM 1478 CA HIS A 116 -5.177 9.389 4.365 1.00 0.00 C ATOM 1479 C HIS A 116 -6.358 10.178 3.793 1.00 0.00 C ATOM 1480 O HIS A 116 -6.913 9.823 2.755 1.00 0.00 O ATOM 1481 CB HIS A 116 -5.682 8.124 5.069 1.00 0.00 C ATOM 1482 CG HIS A 116 -6.381 7.166 4.149 1.00 0.00 C ATOM 1483 ND1 HIS A 116 -5.727 6.442 3.178 1.00 0.00 N ATOM 1484 CD2 HIS A 116 -7.688 6.836 4.042 1.00 0.00 C ATOM 1485 CE1 HIS A 116 -6.600 5.712 2.514 1.00 0.00 C ATOM 1486 NE2 HIS A 116 -7.800 5.932 3.016 1.00 0.00 N ATOM 0 H HIS A 116 -4.443 9.931 6.258 1.00 0.00 H new ATOM 0 HA HIS A 116 -4.523 9.090 3.546 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -4.838 7.616 5.536 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -6.365 8.411 5.869 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -8.495 7.214 4.652 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -6.371 5.045 1.696 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -8.667 5.502 2.695 1.00 0.00 H new ATOM 1495 N HIS A 117 -6.737 11.250 4.474 1.00 0.00 N ATOM 1496 CA HIS A 117 -7.844 12.090 4.031 1.00 0.00 C ATOM 1497 C HIS A 117 -7.485 13.558 4.207 1.00 0.00 C ATOM 1498 O HIS A 117 -6.462 13.885 4.805 1.00 0.00 O ATOM 1499 CB HIS A 117 -9.113 11.775 4.826 1.00 0.00 C ATOM 1500 CG HIS A 117 -9.977 10.716 4.213 1.00 0.00 C ATOM 1501 ND1 HIS A 117 -10.653 9.784 4.962 1.00 0.00 N ATOM 1502 CD2 HIS A 117 -10.272 10.444 2.920 1.00 0.00 C ATOM 1503 CE1 HIS A 117 -11.330 8.983 4.161 1.00 0.00 C ATOM 1504 NE2 HIS A 117 -11.115 9.360 2.914 1.00 0.00 N ATOM 0 H HIS A 117 -6.293 11.561 5.338 1.00 0.00 H new ATOM 0 HA HIS A 117 -8.030 11.884 2.977 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -8.830 11.460 5.830 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -9.698 12.689 4.931 1.00 0.00 H new ATOM 0 HD1 HIS A 117 -10.635 9.721 5.980 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -9.911 10.980 2.054 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -11.954 8.159 4.473 1.00 0.00 H new ATOM 1513 N HIS A 118 -8.328 14.439 3.696 1.00 0.00 N ATOM 1514 CA HIS A 118 -8.124 15.868 3.868 1.00 0.00 C ATOM 1515 C HIS A 118 -8.829 16.357 5.125 1.00 0.00 C ATOM 1516 O HIS A 118 -8.525 17.433 5.639 1.00 0.00 O ATOM 1517 CB HIS A 118 -8.626 16.641 2.647 1.00 0.00 C ATOM 1518 CG HIS A 118 -7.577 17.508 2.025 1.00 0.00 C ATOM 1519 ND1 HIS A 118 -7.689 18.875 1.921 1.00 0.00 N ATOM 1520 CD2 HIS A 118 -6.375 17.192 1.491 1.00 0.00 C ATOM 1521 CE1 HIS A 118 -6.608 19.361 1.349 1.00 0.00 C ATOM 1522 NE2 HIS A 118 -5.788 18.363 1.080 1.00 0.00 N ATOM 0 H HIS A 118 -9.159 14.191 3.159 1.00 0.00 H new ATOM 0 HA HIS A 118 -7.054 16.048 3.972 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -8.992 15.934 1.903 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -9.473 17.261 2.941 1.00 0.00 H new ATOM 0 HD1 HIS A 118 -8.486 19.427 2.238 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -5.955 16.201 1.404 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -6.423 20.403 1.135 1.00 0.00 H new ATOM 1531 N HIS A 119 -9.768 15.544 5.608 1.00 0.00 N ATOM 1532 CA HIS A 119 -10.525 15.826 6.828 1.00 0.00 C ATOM 1533 C HIS A 119 -11.332 17.120 6.695 1.00 0.00 C ATOM 1534 O HIS A 119 -12.481 17.092 6.253 1.00 0.00 O ATOM 1535 CB HIS A 119 -9.602 15.880 8.054 1.00 0.00 C ATOM 1536 CG HIS A 119 -9.582 14.608 8.851 1.00 0.00 C ATOM 1537 ND1 HIS A 119 -8.429 13.899 9.111 1.00 0.00 N ATOM 1538 CD2 HIS A 119 -10.583 13.919 9.451 1.00 0.00 C ATOM 1539 CE1 HIS A 119 -8.720 12.835 9.831 1.00 0.00 C ATOM 1540 NE2 HIS A 119 -10.020 12.822 10.056 1.00 0.00 N ATOM 0 H HIS A 119 -10.027 14.665 5.161 1.00 0.00 H new ATOM 0 HA HIS A 119 -11.229 15.007 6.974 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -8.588 16.108 7.725 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -9.919 16.698 8.700 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -7.495 14.158 8.795 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -11.630 14.184 9.453 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -8.013 12.097 10.179 1.00 0.00 H new ATOM 1549 N HIS A 120 -10.731 18.253 7.052 1.00 0.00 N ATOM 1550 CA HIS A 120 -11.443 19.525 7.020 1.00 0.00 C ATOM 1551 C HIS A 120 -10.504 20.689 6.683 1.00 0.00 C ATOM 1552 O HIS A 120 -10.529 21.731 7.333 1.00 0.00 O ATOM 1553 CB HIS A 120 -12.170 19.776 8.357 1.00 0.00 C ATOM 1554 CG HIS A 120 -11.270 19.946 9.550 1.00 0.00 C ATOM 1555 ND1 HIS A 120 -10.996 21.174 10.111 1.00 0.00 N ATOM 1556 CD2 HIS A 120 -10.586 19.039 10.290 1.00 0.00 C ATOM 1557 CE1 HIS A 120 -10.186 21.016 11.137 1.00 0.00 C ATOM 1558 NE2 HIS A 120 -9.923 19.733 11.273 1.00 0.00 N ATOM 0 H HIS A 120 -9.762 18.315 7.364 1.00 0.00 H new ATOM 0 HA HIS A 120 -12.189 19.466 6.227 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -12.786 20.670 8.256 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -12.846 18.943 8.547 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -10.566 17.970 10.136 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -9.801 21.807 11.763 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -9.325 19.322 11.990 1.00 0.00 H new ATOM 1567 N HIS A 121 -9.683 20.515 5.658 1.00 0.00 N ATOM 1568 CA HIS A 121 -8.774 21.573 5.237 1.00 0.00 C ATOM 1569 C HIS A 121 -8.520 21.508 3.738 1.00 0.00 C ATOM 1570 O HIS A 121 -9.196 20.709 3.059 1.00 0.00 O ATOM 1571 CB HIS A 121 -7.450 21.486 5.997 1.00 0.00 C ATOM 1572 CG HIS A 121 -6.970 22.812 6.507 1.00 0.00 C ATOM 1573 ND1 HIS A 121 -7.748 23.951 6.499 1.00 0.00 N ATOM 1574 CD2 HIS A 121 -5.783 23.176 7.050 1.00 0.00 C ATOM 1575 CE1 HIS A 121 -7.062 24.955 7.011 1.00 0.00 C ATOM 1576 NE2 HIS A 121 -5.869 24.513 7.354 1.00 0.00 N ATOM 1577 OXT HIS A 121 -7.652 22.258 3.245 1.00 0.00 O ATOM 0 H HIS A 121 -9.627 19.659 5.106 1.00 0.00 H new ATOM 0 HA HIS A 121 -9.247 22.528 5.467 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -7.566 20.802 6.838 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -6.690 21.060 5.342 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -4.929 22.535 7.213 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -7.418 25.968 7.129 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -5.129 25.073 7.777 1.00 0.00 H new TER 1586 HIS A 121