USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 628 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 70 GLN :FLIP amide:sc= 0.366 F(o=-0.26,f=0.28) USER MOD Set 1.2: A 71 ASN :FLIP amide:sc= -0.0831 F(o=-0.26,f=0.28) USER MOD Single : A 1 HIS : no HD1:sc= -3.84! C(o=-3.8!,f=-10!) USER MOD Single : A 1 HIS N :NH3+ -144:sc= 1.11 (180deg=0.705) USER MOD Single : A 2 HIS : no HE2:sc= -1.37! C(o=-1.4!,f=-7.7!) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0665 USER MOD Single : A 6 HIS : no HE2:sc= -3.09! C(o=-3.1!,f=-11!) USER MOD Single : A 11 LYS NZ :NH3+ -142:sc= -1.35 (180deg=-3.54!) USER MOD Single : A 16 ASN :FLIP amide:sc=-0.00136 F(o=-2.1,f=-0.0014) USER MOD Single : A 21 ASN : amide:sc= -0.337 X(o=-0.34,f=0) USER MOD Single : A 24 SER OG : rot 73:sc= 1.22 USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.206 F(o=-1.3,f=-0.21) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.112 K(o=-0.11,f=-1.7!) USER MOD Single : A 39 LYS NZ :NH3+ -123:sc= -4.87! (180deg=-8.13!) USER MOD Single : A 42 SER OG : rot 78:sc= 0.975 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 45 GLN : amide:sc= 0.864 K(o=0.86,f=-0.018) USER MOD Single : A 47 LYS NZ :NH3+ -169:sc= 1.24 (180deg=0.709) USER MOD Single : A 49 HIS : no HE2:sc= 0.367 K(o=0.37,f=-4.3!) USER MOD Single : A 50 SER OG : rot -103:sc= 1.47 USER MOD Single : A 51 THR OG1 : rot 94:sc= 0.801 USER MOD Single : A 57 LYS NZ :NH3+ -104:sc= -0.784 (180deg=-5.65!) USER MOD Single : A 74 GLN :FLIP amide:sc= -0.152 F(o=-2.4!,f=-0.15) USER MOD Single : A 75 TYR OH : rot -125:sc= 0.772 USER MOD Single : A 80 ASN : amide:sc= 0.424 K(o=0.42,f=-2.9!) USER MOD Single : A 81 ASN : amide:sc= -1.7 K(o=-1.7,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 2.715 9.467 -18.358 1.00 11.84 N ATOM 2 CA HIS A 1 3.742 9.115 -17.340 1.00 11.46 C ATOM 3 C HIS A 1 4.902 8.369 -18.022 1.00 11.10 C ATOM 4 O HIS A 1 6.033 8.819 -17.946 1.00 11.28 O ATOM 5 CB HIS A 1 3.126 8.259 -16.201 1.00 11.86 C ATOM 6 CG HIS A 1 3.465 6.759 -16.203 1.00 11.77 C ATOM 7 ND1 HIS A 1 2.667 5.868 -16.731 1.00 12.05 N ATOM 8 CD2 HIS A 1 4.531 6.064 -15.694 1.00 11.89 C ATOM 9 CE1 HIS A 1 3.191 4.677 -16.567 1.00 12.27 C ATOM 10 NE2 HIS A 1 4.328 4.803 -15.934 1.00 12.19 N ATOM 0 H1 HIS A 1 2.301 10.393 -18.128 1.00 11.84 H new ATOM 0 H2 HIS A 1 3.158 9.510 -19.298 1.00 11.84 H new ATOM 0 H3 HIS A 1 1.967 8.744 -18.361 1.00 11.84 H new ATOM 0 HA HIS A 1 4.123 10.031 -16.889 1.00 11.46 H new ATOM 0 HB2 HIS A 1 3.447 8.679 -15.248 1.00 11.86 H new ATOM 0 HB3 HIS A 1 2.042 8.363 -16.246 1.00 11.86 H new ATOM 0 HD2 HIS A 1 5.385 6.487 -15.186 1.00 11.89 H new ATOM 0 HE1 HIS A 1 2.755 3.746 -16.900 1.00 12.27 H new ATOM 0 HE2 HIS A 1 4.951 4.039 -15.672 1.00 12.19 H new ATOM 20 N HIS A 2 4.616 7.276 -18.704 1.00 10.97 N ATOM 21 CA HIS A 2 5.727 6.519 -19.379 1.00 11.16 C ATOM 22 C HIS A 2 5.650 6.666 -20.900 1.00 11.48 C ATOM 23 O HIS A 2 4.608 6.978 -21.447 1.00 12.52 O ATOM 24 CB HIS A 2 5.621 5.030 -19.016 1.00 11.26 C ATOM 25 CG HIS A 2 6.730 4.160 -19.627 1.00 11.28 C ATOM 26 ND1 HIS A 2 6.745 3.849 -20.900 1.00 11.63 N ATOM 27 CD2 HIS A 2 7.850 3.589 -19.077 1.00 11.43 C ATOM 28 CE1 HIS A 2 7.812 3.123 -21.146 1.00 11.94 C ATOM 29 NE2 HIS A 2 8.481 2.969 -20.030 1.00 11.78 N ATOM 0 H HIS A 2 3.682 6.883 -18.820 1.00 10.97 H new ATOM 0 HA HIS A 2 6.677 6.929 -19.037 1.00 11.16 H new ATOM 0 HB2 HIS A 2 5.649 4.928 -17.931 1.00 11.26 H new ATOM 0 HB3 HIS A 2 4.653 4.653 -19.347 1.00 11.26 H new ATOM 0 HD1 HIS A 2 6.043 4.125 -21.587 1.00 11.63 H new ATOM 0 HD2 HIS A 2 8.152 3.644 -18.042 1.00 11.43 H new ATOM 0 HE1 HIS A 2 8.091 2.720 -22.108 1.00 11.94 H new ATOM 37 N SER A 3 6.756 6.413 -21.552 1.00 11.05 N ATOM 38 CA SER A 3 6.799 6.522 -23.038 1.00 11.80 C ATOM 39 C SER A 3 5.674 5.700 -23.660 1.00 11.82 C ATOM 40 O SER A 3 5.479 4.552 -23.298 1.00 12.17 O ATOM 41 CB SER A 3 8.144 5.987 -23.517 1.00 12.38 C ATOM 42 OG SER A 3 9.068 6.559 -22.601 1.00 12.34 O ATOM 0 H SER A 3 7.635 6.134 -21.115 1.00 11.05 H new ATOM 0 HA SER A 3 6.674 7.563 -23.335 1.00 11.80 H new ATOM 0 HB2 SER A 3 8.175 4.898 -23.493 1.00 12.38 H new ATOM 0 HB3 SER A 3 8.355 6.289 -24.543 1.00 12.38 H new ATOM 0 HG SER A 3 9.976 6.268 -22.828 1.00 12.34 H new ATOM 48 N GLY A 4 4.948 6.307 -24.561 1.00 11.83 N ATOM 49 CA GLY A 4 3.822 5.583 -25.221 1.00 12.13 C ATOM 50 C GLY A 4 2.511 6.039 -24.597 1.00 11.26 C ATOM 51 O GLY A 4 1.493 6.110 -25.260 1.00 12.12 O ATOM 0 H GLY A 4 5.085 7.270 -24.868 1.00 11.83 H new ATOM 0 HA2 GLY A 4 3.820 5.785 -26.292 1.00 12.13 H new ATOM 0 HA3 GLY A 4 3.943 4.507 -25.100 1.00 12.13 H new ATOM 55 N GLU A 5 2.594 6.380 -23.339 1.00 9.87 N ATOM 56 CA GLU A 5 1.392 6.830 -22.584 1.00 9.16 C ATOM 57 C GLU A 5 1.322 8.367 -22.586 1.00 8.34 C ATOM 58 O GLU A 5 2.149 9.036 -21.981 1.00 7.93 O ATOM 59 CB GLU A 5 1.542 6.305 -21.154 1.00 8.74 C ATOM 60 CG GLU A 5 0.262 6.538 -20.345 1.00 9.72 C ATOM 61 CD GLU A 5 0.620 6.461 -18.868 1.00 9.59 C ATOM 62 OE1 GLU A 5 1.325 7.361 -18.446 1.00 9.20 O ATOM 63 OE2 GLU A 5 0.213 5.501 -18.236 1.00 10.26 O ATOM 0 H GLU A 5 3.457 6.365 -22.796 1.00 9.87 H new ATOM 0 HA GLU A 5 0.476 6.453 -23.038 1.00 9.16 H new ATOM 0 HB2 GLU A 5 1.773 5.240 -21.176 1.00 8.74 H new ATOM 0 HB3 GLU A 5 2.380 6.803 -20.666 1.00 8.74 H new ATOM 0 HG2 GLU A 5 -0.168 7.511 -20.583 1.00 9.72 H new ATOM 0 HG3 GLU A 5 -0.489 5.788 -20.595 1.00 9.72 H new ATOM 70 N HIS A 6 0.334 8.885 -23.275 1.00 8.62 N ATOM 71 CA HIS A 6 0.160 10.369 -23.362 1.00 8.47 C ATOM 72 C HIS A 6 -1.094 10.830 -22.614 1.00 7.97 C ATOM 73 O HIS A 6 -0.993 11.543 -21.635 1.00 7.66 O ATOM 74 CB HIS A 6 0.060 10.781 -24.843 1.00 9.96 C ATOM 75 CG HIS A 6 -0.936 9.950 -25.659 1.00 11.07 C ATOM 76 ND1 HIS A 6 -2.063 10.456 -26.089 1.00 12.31 N ATOM 77 CD2 HIS A 6 -0.909 8.645 -26.082 1.00 11.45 C ATOM 78 CE1 HIS A 6 -2.717 9.525 -26.749 1.00 13.36 C ATOM 79 NE2 HIS A 6 -2.008 8.426 -26.739 1.00 12.82 N ATOM 0 H HIS A 6 -0.363 8.341 -23.783 1.00 8.62 H new ATOM 0 HA HIS A 6 1.023 10.845 -22.896 1.00 8.47 H new ATOM 0 HB2 HIS A 6 -0.228 11.831 -24.898 1.00 9.96 H new ATOM 0 HB3 HIS A 6 1.046 10.697 -25.300 1.00 9.96 H new ATOM 0 HD1 HIS A 6 -2.382 11.413 -25.938 1.00 12.31 H new ATOM 0 HD2 HIS A 6 -0.119 7.931 -25.902 1.00 11.45 H new ATOM 0 HE1 HIS A 6 -3.680 9.648 -27.221 1.00 13.36 H new ATOM 87 N PHE A 7 -2.253 10.407 -23.058 1.00 8.48 N ATOM 88 CA PHE A 7 -3.506 10.850 -22.358 1.00 8.53 C ATOM 89 C PHE A 7 -3.955 9.798 -21.338 1.00 7.85 C ATOM 90 O PHE A 7 -5.087 9.354 -21.344 1.00 8.60 O ATOM 91 CB PHE A 7 -4.622 11.079 -23.393 1.00 9.86 C ATOM 92 CG PHE A 7 -4.128 11.985 -24.535 1.00 10.45 C ATOM 93 CD1 PHE A 7 -3.205 12.994 -24.302 1.00 10.42 C ATOM 94 CD2 PHE A 7 -4.601 11.802 -25.822 1.00 11.61 C ATOM 95 CE1 PHE A 7 -2.764 13.793 -25.334 1.00 11.44 C ATOM 96 CE2 PHE A 7 -4.158 12.604 -26.855 1.00 12.53 C ATOM 97 CZ PHE A 7 -3.239 13.599 -26.610 1.00 12.41 C ATOM 0 H PHE A 7 -2.388 9.788 -23.857 1.00 8.48 H new ATOM 0 HA PHE A 7 -3.300 11.781 -21.829 1.00 8.53 H new ATOM 0 HB2 PHE A 7 -4.951 10.122 -23.798 1.00 9.86 H new ATOM 0 HB3 PHE A 7 -5.486 11.534 -22.909 1.00 9.86 H new ATOM 0 HD1 PHE A 7 -2.829 13.155 -23.303 1.00 10.42 H new ATOM 0 HD2 PHE A 7 -5.324 11.024 -26.021 1.00 11.61 H new ATOM 0 HE1 PHE A 7 -2.043 14.574 -25.140 1.00 11.44 H new ATOM 0 HE2 PHE A 7 -4.533 12.450 -27.856 1.00 12.53 H new ATOM 0 HZ PHE A 7 -2.892 14.226 -27.418 1.00 12.41 H new ATOM 107 N GLU A 8 -3.033 9.439 -20.486 1.00 6.76 N ATOM 108 CA GLU A 8 -3.309 8.428 -19.414 1.00 6.30 C ATOM 109 C GLU A 8 -2.517 8.823 -18.167 1.00 4.77 C ATOM 110 O GLU A 8 -1.775 9.790 -18.200 1.00 4.90 O ATOM 111 CB GLU A 8 -2.867 7.036 -19.894 1.00 6.67 C ATOM 112 CG GLU A 8 -4.099 6.187 -20.264 1.00 8.51 C ATOM 113 CD GLU A 8 -4.766 5.574 -19.017 1.00 9.15 C ATOM 114 OE1 GLU A 8 -4.370 5.915 -17.911 1.00 8.91 O ATOM 115 OE2 GLU A 8 -5.612 4.731 -19.228 1.00 10.22 O ATOM 0 H GLU A 8 -2.082 9.808 -20.485 1.00 6.76 H new ATOM 0 HA GLU A 8 -4.374 8.399 -19.186 1.00 6.30 H new ATOM 0 HB2 GLU A 8 -2.210 7.133 -20.758 1.00 6.67 H new ATOM 0 HB3 GLU A 8 -2.294 6.538 -19.112 1.00 6.67 H new ATOM 0 HG2 GLU A 8 -4.821 6.807 -20.795 1.00 8.51 H new ATOM 0 HG3 GLU A 8 -3.800 5.390 -20.945 1.00 8.51 H new ATOM 122 N GLY A 9 -2.653 8.072 -17.101 1.00 4.05 N ATOM 123 CA GLY A 9 -1.885 8.431 -15.858 1.00 2.94 C ATOM 124 C GLY A 9 -2.714 8.177 -14.597 1.00 2.99 C ATOM 125 O GLY A 9 -2.188 7.790 -13.564 1.00 3.07 O ATOM 0 H GLY A 9 -3.246 7.245 -17.032 1.00 4.05 H new ATOM 0 HA2 GLY A 9 -0.966 7.847 -15.815 1.00 2.94 H new ATOM 0 HA3 GLY A 9 -1.594 9.481 -15.899 1.00 2.94 H new ATOM 129 N GLU A 10 -3.992 8.398 -14.706 1.00 3.38 N ATOM 130 CA GLU A 10 -4.873 8.166 -13.532 1.00 3.79 C ATOM 131 C GLU A 10 -5.138 6.665 -13.454 1.00 3.78 C ATOM 132 O GLU A 10 -6.223 6.184 -13.728 1.00 4.66 O ATOM 133 CB GLU A 10 -6.188 8.950 -13.708 1.00 4.63 C ATOM 134 CG GLU A 10 -5.896 10.427 -14.037 1.00 5.32 C ATOM 135 CD GLU A 10 -4.981 11.057 -12.981 1.00 5.52 C ATOM 136 OE1 GLU A 10 -3.796 10.799 -13.055 1.00 5.36 O ATOM 137 OE2 GLU A 10 -5.513 11.718 -12.109 1.00 6.54 O ATOM 0 H GLU A 10 -4.461 8.727 -15.550 1.00 3.38 H new ATOM 0 HA GLU A 10 -4.404 8.510 -12.610 1.00 3.79 H new ATOM 0 HB2 GLU A 10 -6.780 8.504 -14.507 1.00 4.63 H new ATOM 0 HB3 GLU A 10 -6.782 8.885 -12.796 1.00 4.63 H new ATOM 0 HG2 GLU A 10 -5.427 10.498 -15.018 1.00 5.32 H new ATOM 0 HG3 GLU A 10 -6.832 10.983 -14.090 1.00 5.32 H new ATOM 144 N LYS A 11 -4.108 5.965 -13.059 1.00 2.97 N ATOM 145 CA LYS A 11 -4.193 4.485 -12.949 1.00 2.97 C ATOM 146 C LYS A 11 -4.516 4.104 -11.500 1.00 2.59 C ATOM 147 O LYS A 11 -4.513 4.932 -10.599 1.00 2.60 O ATOM 148 CB LYS A 11 -2.820 3.900 -13.367 1.00 2.93 C ATOM 149 CG LYS A 11 -2.927 2.463 -13.931 1.00 3.66 C ATOM 150 CD LYS A 11 -3.847 2.380 -15.168 1.00 5.48 C ATOM 151 CE LYS A 11 -3.440 3.403 -16.242 1.00 6.17 C ATOM 152 NZ LYS A 11 -4.195 3.147 -17.505 1.00 8.03 N ATOM 0 H LYS A 11 -3.203 6.362 -12.806 1.00 2.97 H new ATOM 0 HA LYS A 11 -4.978 4.089 -13.594 1.00 2.97 H new ATOM 0 HB2 LYS A 11 -2.368 4.548 -14.118 1.00 2.93 H new ATOM 0 HB3 LYS A 11 -2.153 3.898 -12.505 1.00 2.93 H new ATOM 0 HG2 LYS A 11 -1.932 2.106 -14.198 1.00 3.66 H new ATOM 0 HG3 LYS A 11 -3.307 1.799 -13.155 1.00 3.66 H new ATOM 0 HD2 LYS A 11 -3.805 1.375 -15.587 1.00 5.48 H new ATOM 0 HD3 LYS A 11 -4.880 2.558 -14.867 1.00 5.48 H new ATOM 0 HE2 LYS A 11 -3.641 4.414 -15.887 1.00 6.17 H new ATOM 0 HE3 LYS A 11 -2.368 3.338 -16.430 1.00 6.17 H new ATOM 0 HZ1 LYS A 11 -3.572 3.312 -18.321 1.00 8.03 H new ATOM 0 HZ2 LYS A 11 -4.528 2.162 -17.517 1.00 8.03 H new ATOM 0 HZ3 LYS A 11 -5.012 3.789 -17.557 1.00 8.03 H new ATOM 166 N VAL A 12 -4.775 2.850 -11.311 1.00 2.34 N ATOM 167 CA VAL A 12 -5.106 2.341 -9.948 1.00 2.00 C ATOM 168 C VAL A 12 -3.957 1.431 -9.515 1.00 1.87 C ATOM 169 O VAL A 12 -3.242 0.915 -10.359 1.00 2.14 O ATOM 170 CB VAL A 12 -6.423 1.542 -10.024 1.00 1.89 C ATOM 171 CG1 VAL A 12 -6.910 1.174 -8.614 1.00 2.57 C ATOM 172 CG2 VAL A 12 -7.495 2.386 -10.725 1.00 2.80 C ATOM 0 H VAL A 12 -4.773 2.142 -12.046 1.00 2.34 H new ATOM 0 HA VAL A 12 -5.232 3.154 -9.233 1.00 2.00 H new ATOM 0 HB VAL A 12 -6.244 0.626 -10.587 1.00 1.89 H new ATOM 0 HG11 VAL A 12 -7.840 0.611 -8.686 1.00 2.57 H new ATOM 0 HG12 VAL A 12 -6.155 0.566 -8.115 1.00 2.57 H new ATOM 0 HG13 VAL A 12 -7.081 2.084 -8.039 1.00 2.57 H new ATOM 0 HG21 VAL A 12 -8.426 1.821 -10.778 1.00 2.80 H new ATOM 0 HG22 VAL A 12 -7.660 3.305 -10.162 1.00 2.80 H new ATOM 0 HG23 VAL A 12 -7.162 2.633 -11.733 1.00 2.80 H new ATOM 182 N PHE A 13 -3.767 1.277 -8.235 1.00 1.81 N ATOM 183 CA PHE A 13 -2.661 0.392 -7.773 1.00 1.84 C ATOM 184 C PHE A 13 -3.136 -0.465 -6.621 1.00 1.46 C ATOM 185 O PHE A 13 -4.154 -0.197 -6.016 1.00 1.27 O ATOM 186 CB PHE A 13 -1.481 1.244 -7.302 1.00 2.38 C ATOM 187 CG PHE A 13 -0.175 0.694 -7.868 1.00 1.14 C ATOM 188 CD1 PHE A 13 -0.027 0.541 -9.235 1.00 1.58 C ATOM 189 CD2 PHE A 13 0.903 0.444 -7.044 1.00 1.91 C ATOM 190 CE1 PHE A 13 1.178 0.158 -9.767 1.00 2.22 C ATOM 191 CE2 PHE A 13 2.110 0.060 -7.581 1.00 1.92 C ATOM 192 CZ PHE A 13 2.248 -0.077 -8.942 1.00 1.94 C ATOM 0 H PHE A 13 -4.319 1.717 -7.499 1.00 1.81 H new ATOM 0 HA PHE A 13 -2.350 -0.245 -8.601 1.00 1.84 H new ATOM 0 HB2 PHE A 13 -1.618 2.277 -7.622 1.00 2.38 H new ATOM 0 HB3 PHE A 13 -1.440 1.251 -6.213 1.00 2.38 H new ATOM 0 HD1 PHE A 13 -0.867 0.725 -9.889 1.00 1.58 H new ATOM 0 HD2 PHE A 13 0.799 0.550 -5.974 1.00 1.91 H new ATOM 0 HE1 PHE A 13 1.284 0.042 -10.835 1.00 2.22 H new ATOM 0 HE2 PHE A 13 2.951 -0.134 -6.932 1.00 1.92 H new ATOM 0 HZ PHE A 13 3.199 -0.370 -9.361 1.00 1.94 H new ATOM 202 N ARG A 14 -2.399 -1.489 -6.346 1.00 1.61 N ATOM 203 CA ARG A 14 -2.784 -2.371 -5.225 1.00 1.50 C ATOM 204 C ARG A 14 -1.553 -2.935 -4.563 1.00 1.65 C ATOM 205 O ARG A 14 -0.513 -3.093 -5.177 1.00 2.14 O ATOM 206 CB ARG A 14 -3.659 -3.497 -5.776 1.00 1.55 C ATOM 207 CG ARG A 14 -3.978 -4.529 -4.680 1.00 1.86 C ATOM 208 CD ARG A 14 -4.781 -5.661 -5.306 1.00 1.87 C ATOM 209 NE ARG A 14 -6.045 -5.095 -5.861 1.00 2.20 N ATOM 210 CZ ARG A 14 -6.291 -5.195 -7.138 1.00 2.93 C ATOM 211 NH1 ARG A 14 -5.857 -6.234 -7.806 1.00 3.47 N ATOM 212 NH2 ARG A 14 -6.955 -4.228 -7.695 1.00 4.33 N ATOM 0 H ARG A 14 -1.550 -1.755 -6.845 1.00 1.61 H new ATOM 0 HA ARG A 14 -3.340 -1.806 -4.477 1.00 1.50 H new ATOM 0 HB2 ARG A 14 -4.586 -3.082 -6.172 1.00 1.55 H new ATOM 0 HB3 ARG A 14 -3.149 -3.987 -6.605 1.00 1.55 H new ATOM 0 HG2 ARG A 14 -3.057 -4.914 -4.242 1.00 1.86 H new ATOM 0 HG3 ARG A 14 -4.544 -4.063 -3.873 1.00 1.86 H new ATOM 0 HD2 ARG A 14 -4.204 -6.144 -6.095 1.00 1.87 H new ATOM 0 HD3 ARG A 14 -5.003 -6.425 -4.561 1.00 1.87 H new ATOM 0 HE ARG A 14 -6.713 -4.632 -5.245 1.00 2.20 H new ATOM 0 HH11 ARG A 14 -5.328 -6.963 -7.328 1.00 3.47 H new ATOM 0 HH12 ARG A 14 -6.048 -6.314 -8.805 1.00 3.47 H new ATOM 0 HH21 ARG A 14 -7.262 -3.432 -7.136 1.00 4.33 H new ATOM 0 HH22 ARG A 14 -7.170 -4.265 -8.691 1.00 4.33 H new ATOM 226 N VAL A 15 -1.731 -3.232 -3.325 1.00 1.33 N ATOM 227 CA VAL A 15 -0.654 -3.806 -2.525 1.00 1.45 C ATOM 228 C VAL A 15 -1.302 -4.926 -1.729 1.00 1.45 C ATOM 229 O VAL A 15 -2.491 -4.869 -1.459 1.00 1.48 O ATOM 230 CB VAL A 15 -0.082 -2.678 -1.665 1.00 1.65 C ATOM 231 CG1 VAL A 15 -1.091 -2.205 -0.611 1.00 2.39 C ATOM 232 CG2 VAL A 15 1.210 -3.130 -1.016 1.00 2.24 C ATOM 0 H VAL A 15 -2.608 -3.095 -2.822 1.00 1.33 H new ATOM 0 HA VAL A 15 0.179 -4.221 -3.092 1.00 1.45 H new ATOM 0 HB VAL A 15 0.127 -1.827 -2.313 1.00 1.65 H new ATOM 0 HG11 VAL A 15 -0.650 -1.403 -0.019 1.00 2.39 H new ATOM 0 HG12 VAL A 15 -1.990 -1.838 -1.107 1.00 2.39 H new ATOM 0 HG13 VAL A 15 -1.352 -3.037 0.043 1.00 2.39 H new ATOM 0 HG21 VAL A 15 1.612 -2.322 -0.405 1.00 2.24 H new ATOM 0 HG22 VAL A 15 1.017 -3.999 -0.387 1.00 2.24 H new ATOM 0 HG23 VAL A 15 1.932 -3.395 -1.788 1.00 2.24 H new ATOM 242 N ASN A 16 -0.557 -5.932 -1.401 1.00 1.50 N ATOM 243 CA ASN A 16 -1.163 -7.044 -0.639 1.00 1.52 C ATOM 244 C ASN A 16 -0.752 -6.925 0.808 1.00 1.53 C ATOM 245 O ASN A 16 0.039 -6.074 1.169 1.00 2.29 O ATOM 246 CB ASN A 16 -0.679 -8.374 -1.214 1.00 1.64 C ATOM 247 CG ASN A 16 -1.253 -8.608 -2.619 1.00 2.42 C ATOM 248 OD1 ASN A 16 -1.996 -7.701 -3.192 1.00 3.20 O flip ATOM 249 ND2 ASN A 16 -1.023 -9.633 -3.216 1.00 3.55 N flip ATOM 0 H ASN A 16 0.433 -6.033 -1.624 1.00 1.50 H new ATOM 0 HA ASN A 16 -2.250 -7.001 -0.712 1.00 1.52 H new ATOM 0 HB2 ASN A 16 0.410 -8.381 -1.257 1.00 1.64 H new ATOM 0 HB3 ASN A 16 -0.977 -9.189 -0.555 1.00 1.64 H new ATOM 0 HD21 ASN A 16 -0.444 -10.355 -2.786 1.00 3.55 H new ATOM 0 HD22 ASN A 16 -1.407 -9.776 -4.150 1.00 3.55 H new ATOM 256 N VAL A 17 -1.334 -7.762 1.601 1.00 1.20 N ATOM 257 CA VAL A 17 -1.024 -7.728 3.039 1.00 1.11 C ATOM 258 C VAL A 17 -0.871 -9.147 3.558 1.00 1.26 C ATOM 259 O VAL A 17 -1.807 -9.681 4.119 1.00 1.38 O ATOM 260 CB VAL A 17 -2.173 -7.009 3.766 1.00 1.00 C ATOM 261 CG1 VAL A 17 -1.778 -6.724 5.216 1.00 1.38 C ATOM 262 CG2 VAL A 17 -2.469 -5.681 3.047 1.00 1.56 C ATOM 0 H VAL A 17 -2.011 -8.469 1.314 1.00 1.20 H new ATOM 0 HA VAL A 17 -0.090 -7.194 3.216 1.00 1.11 H new ATOM 0 HB VAL A 17 -3.059 -7.643 3.757 1.00 1.00 H new ATOM 0 HG11 VAL A 17 -2.598 -6.215 5.723 1.00 1.38 H new ATOM 0 HG12 VAL A 17 -1.563 -7.663 5.726 1.00 1.38 H new ATOM 0 HG13 VAL A 17 -0.891 -6.091 5.234 1.00 1.38 H new ATOM 0 HG21 VAL A 17 -3.283 -5.165 3.556 1.00 1.56 H new ATOM 0 HG22 VAL A 17 -1.578 -5.054 3.059 1.00 1.56 H new ATOM 0 HG23 VAL A 17 -2.757 -5.882 2.015 1.00 1.56 H new ATOM 272 N GLU A 18 0.268 -9.751 3.353 1.00 1.45 N ATOM 273 CA GLU A 18 0.439 -11.138 3.854 1.00 1.56 C ATOM 274 C GLU A 18 -0.042 -11.193 5.308 1.00 1.25 C ATOM 275 O GLU A 18 -0.799 -12.068 5.682 1.00 1.38 O ATOM 276 CB GLU A 18 1.921 -11.529 3.751 1.00 1.80 C ATOM 277 CG GLU A 18 2.440 -11.311 2.308 1.00 2.76 C ATOM 278 CD GLU A 18 1.945 -12.398 1.329 1.00 2.96 C ATOM 279 OE1 GLU A 18 0.935 -13.021 1.617 1.00 2.77 O ATOM 280 OE2 GLU A 18 2.605 -12.523 0.310 1.00 4.05 O ATOM 0 H GLU A 18 1.072 -9.351 2.869 1.00 1.45 H new ATOM 0 HA GLU A 18 -0.146 -11.841 3.260 1.00 1.56 H new ATOM 0 HB2 GLU A 18 2.510 -10.934 4.449 1.00 1.80 H new ATOM 0 HB3 GLU A 18 2.048 -12.573 4.036 1.00 1.80 H new ATOM 0 HG2 GLU A 18 2.116 -10.333 1.953 1.00 2.76 H new ATOM 0 HG3 GLU A 18 3.530 -11.303 2.315 1.00 2.76 H new ATOM 287 N ASP A 19 0.349 -10.195 6.062 1.00 1.06 N ATOM 288 CA ASP A 19 -0.048 -10.128 7.496 1.00 1.14 C ATOM 289 C ASP A 19 0.499 -8.838 8.089 1.00 0.96 C ATOM 290 O ASP A 19 0.831 -7.914 7.354 1.00 1.36 O ATOM 291 CB ASP A 19 0.484 -11.359 8.272 1.00 1.42 C ATOM 292 CG ASP A 19 1.980 -11.604 8.030 1.00 1.83 C ATOM 293 OD1 ASP A 19 2.718 -10.636 8.089 1.00 2.55 O ATOM 294 OD2 ASP A 19 2.310 -12.770 7.848 1.00 2.91 O ATOM 0 H ASP A 19 0.930 -9.421 5.740 1.00 1.06 H new ATOM 0 HA ASP A 19 -1.135 -10.137 7.577 1.00 1.14 H new ATOM 0 HB2 ASP A 19 0.310 -11.215 9.338 1.00 1.42 H new ATOM 0 HB3 ASP A 19 -0.079 -12.244 7.974 1.00 1.42 H new ATOM 299 N GLU A 20 0.519 -8.772 9.395 1.00 0.91 N ATOM 300 CA GLU A 20 1.044 -7.574 10.081 1.00 0.81 C ATOM 301 C GLU A 20 2.314 -7.040 9.396 1.00 0.79 C ATOM 302 O GLU A 20 2.565 -5.855 9.435 1.00 0.89 O ATOM 303 CB GLU A 20 1.302 -7.965 11.533 1.00 0.94 C ATOM 304 CG GLU A 20 -0.008 -7.824 12.336 1.00 1.41 C ATOM 305 CD GLU A 20 -1.119 -8.675 11.702 1.00 2.52 C ATOM 306 OE1 GLU A 20 -0.873 -9.863 11.544 1.00 3.52 O ATOM 307 OE2 GLU A 20 -2.145 -8.093 11.401 1.00 3.43 O ATOM 0 H GLU A 20 0.188 -9.511 10.015 1.00 0.91 H new ATOM 0 HA GLU A 20 0.321 -6.759 10.033 1.00 0.81 H new ATOM 0 HB2 GLU A 20 1.667 -8.991 11.587 1.00 0.94 H new ATOM 0 HB3 GLU A 20 2.076 -7.328 11.962 1.00 0.94 H new ATOM 0 HG2 GLU A 20 0.155 -8.137 13.367 1.00 1.41 H new ATOM 0 HG3 GLU A 20 -0.314 -6.778 12.365 1.00 1.41 H new ATOM 314 N ASN A 21 3.108 -7.917 8.831 1.00 0.93 N ATOM 315 CA ASN A 21 4.353 -7.463 8.121 1.00 1.02 C ATOM 316 C ASN A 21 4.010 -6.317 7.178 1.00 0.82 C ATOM 317 O ASN A 21 4.545 -5.228 7.253 1.00 0.95 O ATOM 318 CB ASN A 21 4.904 -8.633 7.283 1.00 1.28 C ATOM 319 CG ASN A 21 5.952 -8.139 6.270 1.00 1.91 C ATOM 320 OD1 ASN A 21 7.102 -7.929 6.606 1.00 2.19 O ATOM 321 ND2 ASN A 21 5.596 -7.931 5.025 1.00 2.75 N ATOM 0 H ASN A 21 2.952 -8.925 8.829 1.00 0.93 H new ATOM 0 HA ASN A 21 5.091 -7.135 8.853 1.00 1.02 H new ATOM 0 HB2 ASN A 21 5.352 -9.378 7.941 1.00 1.28 H new ATOM 0 HB3 ASN A 21 4.086 -9.124 6.756 1.00 1.28 H new ATOM 0 HD21 ASN A 21 6.281 -7.596 4.348 1.00 2.75 H new ATOM 0 HD22 ASN A 21 4.634 -8.104 4.734 1.00 2.75 H new ATOM 328 N ASP A 22 3.062 -6.616 6.359 1.00 0.68 N ATOM 329 CA ASP A 22 2.581 -5.667 5.332 1.00 0.68 C ATOM 330 C ASP A 22 1.859 -4.495 5.980 1.00 0.65 C ATOM 331 O ASP A 22 2.039 -3.348 5.603 1.00 0.86 O ATOM 332 CB ASP A 22 1.622 -6.464 4.469 1.00 0.73 C ATOM 333 CG ASP A 22 2.341 -7.688 3.909 1.00 1.86 C ATOM 334 OD1 ASP A 22 2.488 -8.608 4.699 1.00 3.29 O ATOM 335 OD2 ASP A 22 2.706 -7.639 2.745 1.00 2.62 O ATOM 0 H ASP A 22 2.579 -7.514 6.356 1.00 0.68 H new ATOM 0 HA ASP A 22 3.404 -5.249 4.752 1.00 0.68 H new ATOM 0 HB2 ASP A 22 0.758 -6.774 5.057 1.00 0.73 H new ATOM 0 HB3 ASP A 22 1.248 -5.844 3.654 1.00 0.73 H new ATOM 340 N ILE A 23 1.034 -4.812 6.937 1.00 0.55 N ATOM 341 CA ILE A 23 0.279 -3.727 7.634 1.00 0.63 C ATOM 342 C ILE A 23 1.269 -2.749 8.253 1.00 0.71 C ATOM 343 O ILE A 23 1.082 -1.549 8.190 1.00 0.98 O ATOM 344 CB ILE A 23 -0.619 -4.328 8.718 1.00 0.69 C ATOM 345 CG1 ILE A 23 -1.486 -5.405 8.052 1.00 0.75 C ATOM 346 CG2 ILE A 23 -1.493 -3.214 9.320 1.00 0.87 C ATOM 347 CD1 ILE A 23 -2.578 -5.910 8.993 1.00 0.77 C ATOM 0 H ILE A 23 0.849 -5.760 7.266 1.00 0.55 H new ATOM 0 HA ILE A 23 -0.350 -3.200 6.917 1.00 0.63 H new ATOM 0 HB ILE A 23 -0.034 -4.773 9.523 1.00 0.69 H new ATOM 0 HG12 ILE A 23 -1.942 -4.999 7.149 1.00 0.75 H new ATOM 0 HG13 ILE A 23 -0.857 -6.240 7.743 1.00 0.75 H new ATOM 0 HG21 ILE A 23 -2.136 -3.634 10.093 1.00 0.87 H new ATOM 0 HG22 ILE A 23 -0.854 -2.446 9.757 1.00 0.87 H new ATOM 0 HG23 ILE A 23 -2.109 -2.771 8.537 1.00 0.87 H new ATOM 0 HD11 ILE A 23 -3.171 -6.671 8.487 1.00 0.77 H new ATOM 0 HD12 ILE A 23 -2.120 -6.340 9.884 1.00 0.77 H new ATOM 0 HD13 ILE A 23 -3.223 -5.080 9.281 1.00 0.77 H new ATOM 359 N SER A 24 2.331 -3.297 8.790 1.00 0.65 N ATOM 360 CA SER A 24 3.379 -2.447 9.421 1.00 0.75 C ATOM 361 C SER A 24 4.015 -1.591 8.330 1.00 0.69 C ATOM 362 O SER A 24 4.235 -0.414 8.513 1.00 0.93 O ATOM 363 CB SER A 24 4.449 -3.337 10.068 1.00 0.86 C ATOM 364 OG SER A 24 3.747 -4.047 11.082 1.00 1.15 O ATOM 0 H SER A 24 2.515 -4.300 8.817 1.00 0.65 H new ATOM 0 HA SER A 24 2.938 -1.814 10.191 1.00 0.75 H new ATOM 0 HB2 SER A 24 4.894 -4.017 9.341 1.00 0.86 H new ATOM 0 HB3 SER A 24 5.261 -2.743 10.487 1.00 0.86 H new ATOM 0 HG SER A 24 3.171 -4.723 10.669 1.00 1.15 H new ATOM 370 N GLU A 25 4.292 -2.218 7.220 1.00 0.60 N ATOM 371 CA GLU A 25 4.900 -1.470 6.082 1.00 0.69 C ATOM 372 C GLU A 25 3.939 -0.381 5.597 1.00 0.79 C ATOM 373 O GLU A 25 4.257 0.791 5.653 1.00 0.98 O ATOM 374 CB GLU A 25 5.185 -2.461 4.952 1.00 0.94 C ATOM 375 CG GLU A 25 6.219 -3.503 5.424 1.00 1.25 C ATOM 376 CD GLU A 25 7.626 -3.215 4.866 1.00 1.91 C ATOM 377 OE1 GLU A 25 7.856 -2.096 4.433 1.00 3.36 O ATOM 378 OE2 GLU A 25 8.408 -4.141 4.923 1.00 2.55 O ATOM 0 H GLU A 25 4.125 -3.210 7.051 1.00 0.60 H new ATOM 0 HA GLU A 25 5.826 -0.992 6.401 1.00 0.69 H new ATOM 0 HB2 GLU A 25 4.263 -2.959 4.651 1.00 0.94 H new ATOM 0 HB3 GLU A 25 5.561 -1.931 4.077 1.00 0.94 H new ATOM 0 HG2 GLU A 25 6.256 -3.510 6.513 1.00 1.25 H new ATOM 0 HG3 GLU A 25 5.901 -4.497 5.110 1.00 1.25 H new ATOM 385 N LEU A 26 2.785 -0.773 5.119 1.00 0.81 N ATOM 386 CA LEU A 26 1.817 0.222 4.645 1.00 1.01 C ATOM 387 C LEU A 26 1.634 1.337 5.678 1.00 1.02 C ATOM 388 O LEU A 26 1.600 2.489 5.314 1.00 1.19 O ATOM 389 CB LEU A 26 0.536 -0.557 4.412 1.00 1.12 C ATOM 390 CG LEU A 26 -0.464 0.189 3.538 1.00 1.17 C ATOM 391 CD1 LEU A 26 -1.400 1.034 4.412 1.00 3.35 C ATOM 392 CD2 LEU A 26 0.215 1.108 2.507 1.00 2.37 C ATOM 0 H LEU A 26 2.484 -1.745 5.042 1.00 0.81 H new ATOM 0 HA LEU A 26 2.145 0.722 3.734 1.00 1.01 H new ATOM 0 HB2 LEU A 26 0.778 -1.511 3.944 1.00 1.12 H new ATOM 0 HB3 LEU A 26 0.074 -0.781 5.373 1.00 1.12 H new ATOM 0 HG LEU A 26 -1.026 -0.569 2.992 1.00 1.17 H new ATOM 0 HD11 LEU A 26 -2.111 1.563 3.778 1.00 3.35 H new ATOM 0 HD12 LEU A 26 -1.941 0.384 5.100 1.00 3.35 H new ATOM 0 HD13 LEU A 26 -0.814 1.756 4.981 1.00 3.35 H new ATOM 0 HD21 LEU A 26 -0.546 1.613 1.913 1.00 2.37 H new ATOM 0 HD22 LEU A 26 0.822 1.850 3.025 1.00 2.37 H new ATOM 0 HD23 LEU A 26 0.851 0.512 1.852 1.00 2.37 H new ATOM 404 N HIS A 27 1.496 0.960 6.931 1.00 0.94 N ATOM 405 CA HIS A 27 1.330 1.975 8.023 1.00 1.10 C ATOM 406 C HIS A 27 2.236 3.176 7.787 1.00 1.03 C ATOM 407 O HIS A 27 1.772 4.293 7.676 1.00 1.15 O ATOM 408 CB HIS A 27 1.694 1.344 9.375 1.00 1.16 C ATOM 409 CG HIS A 27 0.484 0.895 10.185 1.00 1.35 C ATOM 410 ND1 HIS A 27 -0.615 0.151 9.854 1.00 2.29 N flip ATOM 411 CD2 HIS A 27 0.366 1.197 11.447 1.00 1.30 C flip ATOM 412 CE1 HIS A 27 -1.342 0.035 10.925 1.00 2.45 C flip ATOM 413 NE2 HIS A 27 -0.747 0.670 11.903 1.00 1.73 N flip ATOM 0 H HIS A 27 1.491 -0.011 7.244 1.00 0.94 H new ATOM 0 HA HIS A 27 0.291 2.304 8.026 1.00 1.10 H new ATOM 0 HB2 HIS A 27 2.344 0.486 9.203 1.00 1.16 H new ATOM 0 HB3 HIS A 27 2.265 2.064 9.960 1.00 1.16 H new ATOM 0 HD2 HIS A 27 1.067 1.783 12.022 1.00 1.30 H new ATOM 0 HE1 HIS A 27 -2.280 -0.496 10.996 1.00 2.45 H new ATOM 0 HE2 HIS A 27 -1.091 0.743 12.860 1.00 1.73 H new ATOM 421 N GLU A 28 3.509 2.909 7.744 1.00 0.95 N ATOM 422 CA GLU A 28 4.500 3.995 7.516 1.00 1.00 C ATOM 423 C GLU A 28 4.079 4.894 6.333 1.00 1.07 C ATOM 424 O GLU A 28 4.191 6.108 6.387 1.00 1.23 O ATOM 425 CB GLU A 28 5.858 3.327 7.242 1.00 1.02 C ATOM 426 CG GLU A 28 6.975 4.381 7.259 1.00 1.78 C ATOM 427 CD GLU A 28 7.062 5.081 8.632 1.00 2.86 C ATOM 428 OE1 GLU A 28 6.663 4.447 9.602 1.00 3.28 O ATOM 429 OE2 GLU A 28 7.555 6.197 8.638 1.00 4.07 O ATOM 0 H GLU A 28 3.909 1.978 7.858 1.00 0.95 H new ATOM 0 HA GLU A 28 4.562 4.640 8.392 1.00 1.00 H new ATOM 0 HB2 GLU A 28 6.056 2.564 7.995 1.00 1.02 H new ATOM 0 HB3 GLU A 28 5.836 2.824 6.275 1.00 1.02 H new ATOM 0 HG2 GLU A 28 7.929 3.907 7.029 1.00 1.78 H new ATOM 0 HG3 GLU A 28 6.791 5.122 6.481 1.00 1.78 H new ATOM 436 N LEU A 29 3.531 4.276 5.319 1.00 1.13 N ATOM 437 CA LEU A 29 3.114 5.048 4.112 1.00 1.28 C ATOM 438 C LEU A 29 1.603 5.311 4.135 1.00 1.69 C ATOM 439 O LEU A 29 0.966 5.384 3.099 1.00 2.82 O ATOM 440 CB LEU A 29 3.496 4.215 2.879 1.00 1.03 C ATOM 441 CG LEU A 29 3.482 5.065 1.592 1.00 1.26 C ATOM 442 CD1 LEU A 29 4.527 6.190 1.669 1.00 1.69 C ATOM 443 CD2 LEU A 29 3.811 4.160 0.396 1.00 1.77 C ATOM 0 H LEU A 29 3.355 3.272 5.275 1.00 1.13 H new ATOM 0 HA LEU A 29 3.613 6.017 4.089 1.00 1.28 H new ATOM 0 HB2 LEU A 29 4.488 3.787 3.022 1.00 1.03 H new ATOM 0 HB3 LEU A 29 2.801 3.382 2.773 1.00 1.03 H new ATOM 0 HG LEU A 29 2.495 5.512 1.477 1.00 1.26 H new ATOM 0 HD11 LEU A 29 4.499 6.776 0.750 1.00 1.69 H new ATOM 0 HD12 LEU A 29 4.305 6.836 2.519 1.00 1.69 H new ATOM 0 HD13 LEU A 29 5.520 5.757 1.793 1.00 1.69 H new ATOM 0 HD21 LEU A 29 3.804 4.751 -0.520 1.00 1.77 H new ATOM 0 HD22 LEU A 29 4.797 3.718 0.535 1.00 1.77 H new ATOM 0 HD23 LEU A 29 3.065 3.368 0.323 1.00 1.77 H new ATOM 455 N ALA A 30 1.062 5.433 5.320 1.00 1.47 N ATOM 456 CA ALA A 30 -0.396 5.713 5.444 1.00 1.91 C ATOM 457 C ALA A 30 -0.609 7.133 5.987 1.00 2.32 C ATOM 458 O ALA A 30 -1.673 7.695 5.827 1.00 2.91 O ATOM 459 CB ALA A 30 -1.029 4.711 6.400 1.00 2.06 C ATOM 0 H ALA A 30 1.566 5.351 6.203 1.00 1.47 H new ATOM 0 HA ALA A 30 -0.860 5.627 4.461 1.00 1.91 H new ATOM 0 HB1 ALA A 30 -2.096 4.917 6.490 1.00 2.06 H new ATOM 0 HB2 ALA A 30 -0.886 3.701 6.016 1.00 2.06 H new ATOM 0 HB3 ALA A 30 -0.559 4.796 7.380 1.00 2.06 H new ATOM 465 N SER A 31 0.405 7.669 6.627 1.00 2.37 N ATOM 466 CA SER A 31 0.309 9.065 7.179 1.00 3.01 C ATOM 467 C SER A 31 1.005 10.019 6.200 1.00 2.97 C ATOM 468 O SER A 31 0.406 10.936 5.674 1.00 3.77 O ATOM 469 CB SER A 31 1.015 9.134 8.541 1.00 3.51 C ATOM 470 OG SER A 31 0.408 8.104 9.315 1.00 3.84 O ATOM 0 H SER A 31 1.296 7.202 6.792 1.00 2.37 H new ATOM 0 HA SER A 31 -0.737 9.345 7.306 1.00 3.01 H new ATOM 0 HB2 SER A 31 2.088 8.973 8.439 1.00 3.51 H new ATOM 0 HB3 SER A 31 0.882 10.110 9.007 1.00 3.51 H new ATOM 0 HG SER A 31 0.812 8.084 10.208 1.00 3.84 H new ATOM 476 N THR A 32 2.231 9.702 5.896 1.00 2.48 N ATOM 477 CA THR A 32 3.014 10.539 4.947 1.00 2.56 C ATOM 478 C THR A 32 2.747 9.947 3.566 1.00 2.26 C ATOM 479 O THR A 32 3.640 9.573 2.827 1.00 2.62 O ATOM 480 CB THR A 32 4.504 10.451 5.310 1.00 2.94 C ATOM 481 OG1 THR A 32 4.588 10.958 6.638 1.00 4.27 O ATOM 482 CG2 THR A 32 5.347 11.424 4.482 1.00 3.28 C ATOM 0 H THR A 32 2.728 8.892 6.267 1.00 2.48 H new ATOM 0 HA THR A 32 2.733 11.592 4.979 1.00 2.56 H new ATOM 0 HB THR A 32 4.855 9.430 5.159 1.00 2.94 H new ATOM 0 HG1 THR A 32 5.520 10.931 6.940 1.00 4.27 H new ATOM 0 HG21 THR A 32 6.395 11.332 4.768 1.00 3.28 H new ATOM 0 HG22 THR A 32 5.238 11.190 3.423 1.00 3.28 H new ATOM 0 HG23 THR A 32 5.009 12.444 4.665 1.00 3.28 H new ATOM 490 N ARG A 33 1.481 9.822 3.313 1.00 2.64 N ATOM 491 CA ARG A 33 1.006 9.252 2.019 1.00 2.72 C ATOM 492 C ARG A 33 1.344 10.123 0.808 1.00 1.45 C ATOM 493 O ARG A 33 1.413 11.329 0.887 1.00 2.15 O ATOM 494 CB ARG A 33 -0.527 9.123 2.062 1.00 4.32 C ATOM 495 CG ARG A 33 -0.935 7.886 2.859 1.00 5.67 C ATOM 496 CD ARG A 33 -2.461 7.869 3.080 1.00 7.31 C ATOM 497 NE ARG A 33 -3.158 7.990 1.760 1.00 7.61 N ATOM 498 CZ ARG A 33 -4.062 8.900 1.566 1.00 8.38 C ATOM 499 NH1 ARG A 33 -5.309 8.606 1.804 1.00 9.77 N ATOM 500 NH2 ARG A 33 -3.683 10.037 1.078 1.00 8.07 N ATOM 0 H ARG A 33 0.738 10.094 3.956 1.00 2.64 H new ATOM 0 HA ARG A 33 1.511 8.293 1.904 1.00 2.72 H new ATOM 0 HB2 ARG A 33 -0.961 10.015 2.515 1.00 4.32 H new ATOM 0 HB3 ARG A 33 -0.921 9.056 1.048 1.00 4.32 H new ATOM 0 HG2 ARG A 33 -0.628 6.985 2.327 1.00 5.67 H new ATOM 0 HG3 ARG A 33 -0.422 7.879 3.821 1.00 5.67 H new ATOM 0 HD2 ARG A 33 -2.757 6.945 3.576 1.00 7.31 H new ATOM 0 HD3 ARG A 33 -2.754 8.690 3.734 1.00 7.31 H new ATOM 0 HE ARG A 33 -2.919 7.349 1.004 1.00 7.61 H new ATOM 0 HH11 ARG A 33 -5.559 7.675 2.136 1.00 9.77 H new ATOM 0 HH12 ARG A 33 -6.035 9.307 1.658 1.00 9.77 H new ATOM 0 HH21 ARG A 33 -2.700 10.195 0.858 1.00 8.07 H new ATOM 0 HH22 ARG A 33 -4.368 10.775 0.913 1.00 8.07 H new ATOM 514 N GLN A 34 1.553 9.432 -0.280 1.00 1.88 N ATOM 515 CA GLN A 34 1.824 10.074 -1.606 1.00 2.52 C ATOM 516 C GLN A 34 0.756 9.503 -2.559 1.00 2.20 C ATOM 517 O GLN A 34 0.715 9.795 -3.739 1.00 2.47 O ATOM 518 CB GLN A 34 3.218 9.673 -2.121 1.00 4.06 C ATOM 519 CG GLN A 34 4.321 10.230 -1.205 1.00 4.70 C ATOM 520 CD GLN A 34 4.621 11.683 -1.581 1.00 5.07 C ATOM 521 OE1 GLN A 34 3.808 12.561 -1.413 1.00 5.12 O ATOM 522 NE2 GLN A 34 5.778 11.977 -2.097 1.00 6.11 N ATOM 0 H GLN A 34 1.547 8.412 -0.308 1.00 1.88 H new ATOM 0 HA GLN A 34 1.791 11.161 -1.536 1.00 2.52 H new ATOM 0 HB2 GLN A 34 3.294 8.587 -2.170 1.00 4.06 H new ATOM 0 HB3 GLN A 34 3.358 10.048 -3.135 1.00 4.06 H new ATOM 0 HG2 GLN A 34 4.005 10.172 -0.163 1.00 4.70 H new ATOM 0 HG3 GLN A 34 5.224 9.626 -1.299 1.00 4.70 H new ATOM 0 HE21 GLN A 34 6.472 11.244 -2.243 1.00 6.11 H new ATOM 0 HE22 GLN A 34 5.991 12.940 -2.355 1.00 6.11 H new ATOM 531 N ILE A 35 -0.090 8.688 -1.968 1.00 1.76 N ATOM 532 CA ILE A 35 -1.185 7.985 -2.701 1.00 1.48 C ATOM 533 C ILE A 35 -2.446 8.014 -1.829 1.00 1.17 C ATOM 534 O ILE A 35 -2.320 8.084 -0.614 1.00 1.42 O ATOM 535 CB ILE A 35 -0.738 6.519 -2.870 1.00 1.53 C ATOM 536 CG1 ILE A 35 -0.546 5.919 -1.447 1.00 1.48 C ATOM 537 CG2 ILE A 35 0.578 6.474 -3.663 1.00 1.83 C ATOM 538 CD1 ILE A 35 0.210 4.588 -1.459 1.00 1.88 C ATOM 0 H ILE A 35 -0.061 8.477 -0.970 1.00 1.76 H new ATOM 0 HA ILE A 35 -1.389 8.453 -3.664 1.00 1.48 H new ATOM 0 HB ILE A 35 -1.482 5.941 -3.418 1.00 1.53 H new ATOM 0 HG12 ILE A 35 -0.004 6.633 -0.827 1.00 1.48 H new ATOM 0 HG13 ILE A 35 -1.522 5.772 -0.985 1.00 1.48 H new ATOM 0 HG21 ILE A 35 0.895 5.438 -3.783 1.00 1.83 H new ATOM 0 HG22 ILE A 35 0.427 6.923 -4.644 1.00 1.83 H new ATOM 0 HG23 ILE A 35 1.346 7.029 -3.124 1.00 1.83 H new ATOM 0 HD11 ILE A 35 0.313 4.219 -0.439 1.00 1.88 H new ATOM 0 HD12 ILE A 35 -0.343 3.861 -2.054 1.00 1.88 H new ATOM 0 HD13 ILE A 35 1.199 4.735 -1.893 1.00 1.88 H new ATOM 550 N ASP A 36 -3.617 7.902 -2.411 1.00 1.04 N ATOM 551 CA ASP A 36 -4.832 7.897 -1.534 1.00 0.98 C ATOM 552 C ASP A 36 -5.443 6.510 -1.592 1.00 0.89 C ATOM 553 O ASP A 36 -5.160 5.775 -2.513 1.00 1.09 O ATOM 554 CB ASP A 36 -5.866 8.947 -1.945 1.00 1.47 C ATOM 555 CG ASP A 36 -6.428 9.529 -0.642 1.00 3.21 C ATOM 556 OD1 ASP A 36 -7.265 8.868 -0.056 1.00 4.17 O ATOM 557 OD2 ASP A 36 -5.900 10.545 -0.232 1.00 4.37 O ATOM 0 H ASP A 36 -3.783 7.817 -3.414 1.00 1.04 H new ATOM 0 HA ASP A 36 -4.527 8.153 -0.519 1.00 0.98 H new ATOM 0 HB2 ASP A 36 -5.408 9.727 -2.554 1.00 1.47 H new ATOM 0 HB3 ASP A 36 -6.658 8.499 -2.545 1.00 1.47 H new ATOM 562 N PHE A 37 -6.320 6.210 -0.678 1.00 0.93 N ATOM 563 CA PHE A 37 -6.895 4.830 -0.652 1.00 0.88 C ATOM 564 C PHE A 37 -8.386 4.809 -0.961 1.00 1.08 C ATOM 565 O PHE A 37 -9.076 5.800 -0.822 1.00 1.49 O ATOM 566 CB PHE A 37 -6.675 4.228 0.746 1.00 0.92 C ATOM 567 CG PHE A 37 -5.173 4.015 1.022 1.00 0.79 C ATOM 568 CD1 PHE A 37 -4.296 5.084 1.080 1.00 1.36 C ATOM 569 CD2 PHE A 37 -4.684 2.743 1.247 1.00 1.12 C ATOM 570 CE1 PHE A 37 -2.959 4.881 1.355 1.00 1.56 C ATOM 571 CE2 PHE A 37 -3.347 2.540 1.528 1.00 1.23 C ATOM 572 CZ PHE A 37 -2.487 3.613 1.584 1.00 1.20 C ATOM 0 H PHE A 37 -6.662 6.845 0.043 1.00 0.93 H new ATOM 0 HA PHE A 37 -6.389 4.250 -1.424 1.00 0.88 H new ATOM 0 HB2 PHE A 37 -7.098 4.890 1.502 1.00 0.92 H new ATOM 0 HB3 PHE A 37 -7.202 3.277 0.824 1.00 0.92 H new ATOM 0 HD1 PHE A 37 -4.661 6.086 0.909 1.00 1.36 H new ATOM 0 HD2 PHE A 37 -5.355 1.898 1.203 1.00 1.12 H new ATOM 0 HE1 PHE A 37 -2.282 5.722 1.390 1.00 1.56 H new ATOM 0 HE2 PHE A 37 -2.977 1.541 1.704 1.00 1.23 H new ATOM 0 HZ PHE A 37 -1.442 3.457 1.808 1.00 1.20 H new ATOM 582 N TRP A 38 -8.842 3.656 -1.383 1.00 1.05 N ATOM 583 CA TRP A 38 -10.286 3.487 -1.693 1.00 1.34 C ATOM 584 C TRP A 38 -10.855 2.418 -0.763 1.00 1.39 C ATOM 585 O TRP A 38 -11.872 2.628 -0.137 1.00 1.59 O ATOM 586 CB TRP A 38 -10.441 3.108 -3.170 1.00 1.51 C ATOM 587 CG TRP A 38 -10.160 4.265 -4.142 1.00 1.84 C ATOM 588 CD1 TRP A 38 -10.104 5.589 -3.807 1.00 2.91 C ATOM 589 CD2 TRP A 38 -9.962 4.258 -5.506 1.00 2.16 C ATOM 590 NE1 TRP A 38 -9.892 6.315 -4.857 1.00 3.85 N ATOM 591 CE2 TRP A 38 -9.801 5.566 -5.934 1.00 3.42 C ATOM 592 CE3 TRP A 38 -9.908 3.208 -6.404 1.00 1.88 C ATOM 593 CZ2 TRP A 38 -9.589 5.860 -7.255 1.00 4.13 C ATOM 594 CZ3 TRP A 38 -9.690 3.518 -7.745 1.00 2.52 C ATOM 595 CH2 TRP A 38 -9.531 4.831 -8.167 1.00 3.58 C ATOM 0 H TRP A 38 -8.270 2.824 -1.525 1.00 1.05 H new ATOM 0 HA TRP A 38 -10.838 4.413 -1.531 1.00 1.34 H new ATOM 0 HB2 TRP A 38 -9.765 2.284 -3.396 1.00 1.51 H new ATOM 0 HB3 TRP A 38 -11.455 2.744 -3.337 1.00 1.51 H new ATOM 0 HD1 TRP A 38 -10.220 5.975 -2.805 1.00 2.91 H new ATOM 0 HE1 TRP A 38 -9.807 7.331 -4.850 1.00 3.85 H new ATOM 0 HE3 TRP A 38 -10.030 2.186 -6.078 1.00 1.88 H new ATOM 0 HZ2 TRP A 38 -9.469 6.884 -7.576 1.00 4.13 H new ATOM 0 HZ3 TRP A 38 -9.644 2.720 -8.471 1.00 2.52 H new ATOM 0 HH2 TRP A 38 -9.362 5.045 -9.212 1.00 3.58 H new ATOM 606 N LYS A 39 -10.207 1.284 -0.711 1.00 1.32 N ATOM 607 CA LYS A 39 -10.689 0.206 0.209 1.00 1.51 C ATOM 608 C LYS A 39 -9.506 -0.535 0.858 1.00 1.29 C ATOM 609 O LYS A 39 -8.585 -0.942 0.172 1.00 1.12 O ATOM 610 CB LYS A 39 -11.588 -0.791 -0.545 1.00 1.83 C ATOM 611 CG LYS A 39 -10.956 -1.293 -1.851 1.00 2.15 C ATOM 612 CD LYS A 39 -11.881 -2.390 -2.420 1.00 2.58 C ATOM 613 CE LYS A 39 -11.792 -2.439 -3.949 1.00 3.02 C ATOM 614 NZ LYS A 39 -10.391 -2.674 -4.396 1.00 3.64 N ATOM 0 H LYS A 39 -9.376 1.057 -1.257 1.00 1.32 H new ATOM 0 HA LYS A 39 -11.274 0.678 0.998 1.00 1.51 H new ATOM 0 HB2 LYS A 39 -11.800 -1.643 0.101 1.00 1.83 H new ATOM 0 HB3 LYS A 39 -12.543 -0.315 -0.768 1.00 1.83 H new ATOM 0 HG2 LYS A 39 -10.847 -0.475 -2.564 1.00 2.15 H new ATOM 0 HG3 LYS A 39 -9.958 -1.690 -1.666 1.00 2.15 H new ATOM 0 HD2 LYS A 39 -11.603 -3.358 -2.004 1.00 2.58 H new ATOM 0 HD3 LYS A 39 -12.910 -2.197 -2.117 1.00 2.58 H new ATOM 0 HE2 LYS A 39 -12.436 -3.232 -4.329 1.00 3.02 H new ATOM 0 HE3 LYS A 39 -12.159 -1.502 -4.368 1.00 3.02 H new ATOM 0 HZ1 LYS A 39 -10.094 -1.903 -5.028 1.00 3.64 H new ATOM 0 HZ2 LYS A 39 -9.763 -2.704 -3.568 1.00 3.64 H new ATOM 0 HZ3 LYS A 39 -10.336 -3.579 -4.905 1.00 3.64 H new ATOM 628 N PRO A 40 -9.555 -0.699 2.169 1.00 1.56 N ATOM 629 CA PRO A 40 -10.284 0.206 3.107 1.00 2.09 C ATOM 630 C PRO A 40 -9.816 1.668 2.968 1.00 2.23 C ATOM 631 O PRO A 40 -8.846 1.950 2.295 1.00 3.08 O ATOM 632 CB PRO A 40 -9.969 -0.381 4.491 1.00 2.71 C ATOM 633 CG PRO A 40 -9.591 -1.857 4.229 1.00 2.19 C ATOM 634 CD PRO A 40 -8.933 -1.865 2.839 1.00 1.69 C ATOM 0 HA PRO A 40 -11.355 0.249 2.911 1.00 2.09 H new ATOM 0 HB2 PRO A 40 -9.150 0.156 4.969 1.00 2.71 H new ATOM 0 HB3 PRO A 40 -10.830 -0.307 5.155 1.00 2.71 H new ATOM 0 HG2 PRO A 40 -8.906 -2.229 4.991 1.00 2.19 H new ATOM 0 HG3 PRO A 40 -10.472 -2.499 4.251 1.00 2.19 H new ATOM 0 HD2 PRO A 40 -7.850 -1.762 2.905 1.00 1.69 H new ATOM 0 HD3 PRO A 40 -9.133 -2.793 2.303 1.00 1.69 H new ATOM 642 N ASP A 41 -10.495 2.562 3.632 1.00 2.11 N ATOM 643 CA ASP A 41 -10.120 4.010 3.541 1.00 2.60 C ATOM 644 C ASP A 41 -8.997 4.337 4.525 1.00 2.28 C ATOM 645 O ASP A 41 -8.006 4.949 4.157 1.00 2.77 O ATOM 646 CB ASP A 41 -11.349 4.867 3.885 1.00 3.51 C ATOM 647 CG ASP A 41 -11.771 4.598 5.333 1.00 3.78 C ATOM 648 OD1 ASP A 41 -12.067 3.446 5.595 1.00 3.66 O ATOM 649 OD2 ASP A 41 -11.707 5.534 6.112 1.00 4.89 O ATOM 0 H ASP A 41 -11.293 2.358 4.234 1.00 2.11 H new ATOM 0 HA ASP A 41 -9.776 4.223 2.529 1.00 2.60 H new ATOM 0 HB2 ASP A 41 -11.117 5.924 3.753 1.00 3.51 H new ATOM 0 HB3 ASP A 41 -12.170 4.634 3.207 1.00 3.51 H new ATOM 654 N SER A 42 -9.185 3.922 5.749 1.00 2.02 N ATOM 655 CA SER A 42 -8.160 4.194 6.792 1.00 2.02 C ATOM 656 C SER A 42 -7.315 2.940 7.054 1.00 1.74 C ATOM 657 O SER A 42 -7.840 1.864 7.303 1.00 2.28 O ATOM 658 CB SER A 42 -8.885 4.640 8.065 1.00 2.31 C ATOM 659 OG SER A 42 -9.413 5.923 7.725 1.00 2.93 O ATOM 0 H SER A 42 -10.005 3.407 6.070 1.00 2.02 H new ATOM 0 HA SER A 42 -7.482 4.979 6.459 1.00 2.02 H new ATOM 0 HB2 SER A 42 -9.676 3.942 8.340 1.00 2.31 H new ATOM 0 HB3 SER A 42 -8.203 4.700 8.913 1.00 2.31 H new ATOM 0 HG SER A 42 -10.218 5.811 7.177 1.00 2.93 H new ATOM 665 N VAL A 43 -6.019 3.129 6.949 1.00 1.40 N ATOM 666 CA VAL A 43 -5.028 2.026 7.164 1.00 1.16 C ATOM 667 C VAL A 43 -5.342 1.134 8.378 1.00 1.10 C ATOM 668 O VAL A 43 -5.233 -0.081 8.298 1.00 1.68 O ATOM 669 CB VAL A 43 -3.642 2.671 7.324 1.00 1.71 C ATOM 670 CG1 VAL A 43 -3.692 3.770 8.401 1.00 2.26 C ATOM 671 CG2 VAL A 43 -2.618 1.604 7.738 1.00 2.19 C ATOM 0 H VAL A 43 -5.597 4.028 6.717 1.00 1.40 H new ATOM 0 HA VAL A 43 -5.070 1.362 6.300 1.00 1.16 H new ATOM 0 HB VAL A 43 -3.348 3.112 6.372 1.00 1.71 H new ATOM 0 HG11 VAL A 43 -2.705 4.221 8.507 1.00 2.26 H new ATOM 0 HG12 VAL A 43 -4.411 4.535 8.107 1.00 2.26 H new ATOM 0 HG13 VAL A 43 -3.995 3.333 9.353 1.00 2.26 H new ATOM 0 HG21 VAL A 43 -1.637 2.065 7.850 1.00 2.19 H new ATOM 0 HG22 VAL A 43 -2.920 1.158 8.686 1.00 2.19 H new ATOM 0 HG23 VAL A 43 -2.569 0.830 6.972 1.00 2.19 H new ATOM 681 N THR A 44 -5.766 1.750 9.449 1.00 1.39 N ATOM 682 CA THR A 44 -6.061 1.002 10.710 1.00 1.66 C ATOM 683 C THR A 44 -7.203 -0.016 10.582 1.00 1.49 C ATOM 684 O THR A 44 -7.808 -0.385 11.574 1.00 2.14 O ATOM 685 CB THR A 44 -6.409 2.036 11.788 1.00 2.19 C ATOM 686 OG1 THR A 44 -7.157 3.037 11.106 1.00 2.10 O ATOM 687 CG2 THR A 44 -5.162 2.765 12.297 1.00 2.94 C ATOM 0 H THR A 44 -5.923 2.756 9.506 1.00 1.39 H new ATOM 0 HA THR A 44 -5.177 0.418 10.966 1.00 1.66 H new ATOM 0 HB THR A 44 -6.913 1.542 12.619 1.00 2.19 H new ATOM 0 HG1 THR A 44 -7.418 3.738 11.739 1.00 2.10 H new ATOM 0 HG21 THR A 44 -5.450 3.489 13.059 1.00 2.94 H new ATOM 0 HG22 THR A 44 -4.468 2.042 12.726 1.00 2.94 H new ATOM 0 HG23 THR A 44 -4.680 3.283 11.468 1.00 2.94 H new ATOM 695 N GLN A 45 -7.499 -0.435 9.388 1.00 1.54 N ATOM 696 CA GLN A 45 -8.573 -1.448 9.211 1.00 1.80 C ATOM 697 C GLN A 45 -8.027 -2.652 8.455 1.00 1.64 C ATOM 698 O GLN A 45 -8.530 -3.750 8.611 1.00 1.99 O ATOM 699 CB GLN A 45 -9.722 -0.827 8.430 1.00 2.53 C ATOM 700 CG GLN A 45 -10.294 0.344 9.238 1.00 2.68 C ATOM 701 CD GLN A 45 -11.318 1.068 8.378 1.00 3.63 C ATOM 702 OE1 GLN A 45 -12.466 1.208 8.739 1.00 4.36 O ATOM 703 NE2 GLN A 45 -10.939 1.537 7.232 1.00 4.56 N ATOM 0 H GLN A 45 -7.047 -0.122 8.529 1.00 1.54 H new ATOM 0 HA GLN A 45 -8.930 -1.776 10.187 1.00 1.80 H new ATOM 0 HB2 GLN A 45 -9.373 -0.480 7.458 1.00 2.53 H new ATOM 0 HB3 GLN A 45 -10.497 -1.571 8.243 1.00 2.53 H new ATOM 0 HG2 GLN A 45 -10.758 -0.019 10.155 1.00 2.68 H new ATOM 0 HG3 GLN A 45 -9.497 1.026 9.533 1.00 2.68 H new ATOM 0 HE21 GLN A 45 -9.973 1.420 6.927 1.00 4.56 H new ATOM 0 HE22 GLN A 45 -11.607 2.024 6.634 1.00 4.56 H new ATOM 712 N ILE A 46 -7.037 -2.410 7.631 1.00 1.61 N ATOM 713 CA ILE A 46 -6.430 -3.518 6.837 1.00 1.50 C ATOM 714 C ILE A 46 -6.057 -4.689 7.754 1.00 1.33 C ATOM 715 O ILE A 46 -5.649 -4.504 8.884 1.00 1.23 O ATOM 716 CB ILE A 46 -5.177 -2.976 6.106 1.00 1.38 C ATOM 717 CG1 ILE A 46 -5.591 -2.250 4.814 1.00 1.80 C ATOM 718 CG2 ILE A 46 -4.217 -4.114 5.729 1.00 1.46 C ATOM 719 CD1 ILE A 46 -6.362 -0.966 5.134 1.00 1.95 C ATOM 0 H ILE A 46 -6.624 -1.491 7.475 1.00 1.61 H new ATOM 0 HA ILE A 46 -7.149 -3.884 6.104 1.00 1.50 H new ATOM 0 HB ILE A 46 -4.674 -2.289 6.786 1.00 1.38 H new ATOM 0 HG12 ILE A 46 -4.705 -2.010 4.226 1.00 1.80 H new ATOM 0 HG13 ILE A 46 -6.210 -2.908 4.204 1.00 1.80 H new ATOM 0 HG21 ILE A 46 -3.347 -3.702 5.217 1.00 1.46 H new ATOM 0 HG22 ILE A 46 -3.895 -4.632 6.632 1.00 1.46 H new ATOM 0 HG23 ILE A 46 -4.727 -4.817 5.070 1.00 1.46 H new ATOM 0 HD11 ILE A 46 -6.644 -0.470 4.205 1.00 1.95 H new ATOM 0 HD12 ILE A 46 -7.260 -1.212 5.701 1.00 1.95 H new ATOM 0 HD13 ILE A 46 -5.732 -0.300 5.724 1.00 1.95 H new ATOM 731 N LYS A 47 -6.191 -5.869 7.226 1.00 1.42 N ATOM 732 CA LYS A 47 -5.857 -7.093 8.010 1.00 1.32 C ATOM 733 C LYS A 47 -4.830 -7.894 7.201 1.00 1.21 C ATOM 734 O LYS A 47 -4.537 -7.545 6.071 1.00 1.39 O ATOM 735 CB LYS A 47 -7.132 -7.936 8.205 1.00 1.80 C ATOM 736 CG LYS A 47 -8.276 -7.091 8.794 1.00 2.41 C ATOM 737 CD LYS A 47 -7.871 -6.524 10.167 1.00 3.16 C ATOM 738 CE LYS A 47 -9.125 -6.171 10.979 1.00 4.56 C ATOM 739 NZ LYS A 47 -10.011 -5.232 10.222 1.00 5.87 N ATOM 0 H LYS A 47 -6.520 -6.043 6.276 1.00 1.42 H new ATOM 0 HA LYS A 47 -5.454 -6.830 8.988 1.00 1.32 H new ATOM 0 HB2 LYS A 47 -7.443 -8.356 7.248 1.00 1.80 H new ATOM 0 HB3 LYS A 47 -6.918 -8.775 8.867 1.00 1.80 H new ATOM 0 HG2 LYS A 47 -8.521 -6.275 8.114 1.00 2.41 H new ATOM 0 HG3 LYS A 47 -9.173 -7.702 8.896 1.00 2.41 H new ATOM 0 HD2 LYS A 47 -7.270 -7.255 10.709 1.00 3.16 H new ATOM 0 HD3 LYS A 47 -7.251 -5.637 10.035 1.00 3.16 H new ATOM 0 HE2 LYS A 47 -9.675 -7.081 11.219 1.00 4.56 H new ATOM 0 HE3 LYS A 47 -8.833 -5.717 11.926 1.00 4.56 H new ATOM 0 HZ1 LYS A 47 -10.749 -4.864 10.856 1.00 5.87 H new ATOM 0 HZ2 LYS A 47 -9.445 -4.441 9.854 1.00 5.87 H new ATOM 0 HZ3 LYS A 47 -10.455 -5.737 9.429 1.00 5.87 H new ATOM 753 N PRO A 48 -4.319 -8.958 7.768 1.00 1.11 N ATOM 754 CA PRO A 48 -3.671 -10.010 6.961 1.00 1.12 C ATOM 755 C PRO A 48 -4.574 -10.481 5.814 1.00 1.32 C ATOM 756 O PRO A 48 -5.787 -10.347 5.866 1.00 1.49 O ATOM 757 CB PRO A 48 -3.387 -11.120 7.980 1.00 1.15 C ATOM 758 CG PRO A 48 -3.285 -10.393 9.341 1.00 1.16 C ATOM 759 CD PRO A 48 -4.252 -9.205 9.235 1.00 1.16 C ATOM 0 HA PRO A 48 -2.764 -9.668 6.462 1.00 1.12 H new ATOM 0 HB2 PRO A 48 -4.185 -11.863 7.988 1.00 1.15 H new ATOM 0 HB3 PRO A 48 -2.463 -11.647 7.743 1.00 1.15 H new ATOM 0 HG2 PRO A 48 -3.562 -11.054 10.162 1.00 1.16 H new ATOM 0 HG3 PRO A 48 -2.266 -10.056 9.532 1.00 1.16 H new ATOM 0 HD2 PRO A 48 -5.232 -9.444 9.649 1.00 1.16 H new ATOM 0 HD3 PRO A 48 -3.881 -8.333 9.775 1.00 1.16 H new ATOM 767 N HIS A 49 -3.926 -11.002 4.802 1.00 1.47 N ATOM 768 CA HIS A 49 -4.614 -11.527 3.581 1.00 1.85 C ATOM 769 C HIS A 49 -6.027 -10.940 3.369 1.00 1.43 C ATOM 770 O HIS A 49 -7.012 -11.660 3.352 1.00 1.70 O ATOM 771 CB HIS A 49 -4.679 -13.056 3.706 1.00 2.65 C ATOM 772 CG HIS A 49 -5.217 -13.525 5.060 1.00 1.86 C ATOM 773 ND1 HIS A 49 -6.390 -13.152 5.483 1.00 2.46 N ATOM 774 CD2 HIS A 49 -4.676 -14.304 6.050 1.00 2.13 C ATOM 775 CE1 HIS A 49 -6.592 -13.656 6.676 1.00 2.88 C ATOM 776 NE2 HIS A 49 -5.541 -14.359 7.018 1.00 2.11 N ATOM 0 H HIS A 49 -2.910 -11.088 4.772 1.00 1.47 H new ATOM 0 HA HIS A 49 -4.041 -11.222 2.705 1.00 1.85 H new ATOM 0 HB2 HIS A 49 -5.313 -13.453 2.913 1.00 2.65 H new ATOM 0 HB3 HIS A 49 -3.682 -13.470 3.555 1.00 2.65 H new ATOM 0 HD1 HIS A 49 -7.046 -12.563 4.969 1.00 2.46 H new ATOM 0 HD2 HIS A 49 -3.709 -14.784 6.029 1.00 2.13 H new ATOM 0 HE1 HIS A 49 -7.478 -13.515 7.277 1.00 2.88 H new ATOM 784 N SER A 50 -6.085 -9.636 3.247 1.00 1.06 N ATOM 785 CA SER A 50 -7.395 -8.949 3.008 1.00 1.12 C ATOM 786 C SER A 50 -7.351 -8.254 1.639 1.00 1.41 C ATOM 787 O SER A 50 -8.134 -8.578 0.766 1.00 3.16 O ATOM 788 CB SER A 50 -7.619 -7.925 4.123 1.00 1.10 C ATOM 789 OG SER A 50 -6.387 -7.212 4.190 1.00 2.02 O ATOM 0 H SER A 50 -5.278 -9.014 3.303 1.00 1.06 H new ATOM 0 HA SER A 50 -8.215 -9.667 3.011 1.00 1.12 H new ATOM 0 HB2 SER A 50 -8.452 -7.261 3.893 1.00 1.10 H new ATOM 0 HB3 SER A 50 -7.851 -8.411 5.071 1.00 1.10 H new ATOM 0 HG SER A 50 -5.871 -7.522 4.963 1.00 2.02 H new ATOM 795 N THR A 51 -6.438 -7.303 1.532 1.00 1.01 N ATOM 796 CA THR A 51 -6.171 -6.495 0.273 1.00 0.94 C ATOM 797 C THR A 51 -6.404 -5.002 0.518 1.00 1.05 C ATOM 798 O THR A 51 -7.109 -4.613 1.438 1.00 1.63 O ATOM 799 CB THR A 51 -7.055 -6.920 -0.922 1.00 1.27 C ATOM 800 OG1 THR A 51 -6.616 -8.222 -1.263 1.00 1.98 O ATOM 801 CG2 THR A 51 -6.772 -6.088 -2.183 1.00 2.47 C ATOM 0 H THR A 51 -5.833 -7.038 2.309 1.00 1.01 H new ATOM 0 HA THR A 51 -5.128 -6.691 0.023 1.00 0.94 H new ATOM 0 HB THR A 51 -8.103 -6.818 -0.639 1.00 1.27 H new ATOM 0 HG1 THR A 51 -7.177 -8.886 -0.810 1.00 1.98 H new ATOM 0 HG21 THR A 51 -7.418 -6.425 -2.994 1.00 2.47 H new ATOM 0 HG22 THR A 51 -6.968 -5.036 -1.976 1.00 2.47 H new ATOM 0 HG23 THR A 51 -5.729 -6.212 -2.474 1.00 2.47 H new ATOM 809 N VAL A 52 -5.764 -4.206 -0.307 1.00 0.88 N ATOM 810 CA VAL A 52 -5.897 -2.721 -0.211 1.00 0.97 C ATOM 811 C VAL A 52 -5.790 -2.114 -1.613 1.00 0.91 C ATOM 812 O VAL A 52 -4.885 -2.478 -2.354 1.00 1.03 O ATOM 813 CB VAL A 52 -4.750 -2.131 0.623 1.00 1.18 C ATOM 814 CG1 VAL A 52 -5.138 -0.719 1.080 1.00 2.04 C ATOM 815 CG2 VAL A 52 -4.433 -3.021 1.829 1.00 1.42 C ATOM 0 H VAL A 52 -5.147 -4.530 -1.052 1.00 0.88 H new ATOM 0 HA VAL A 52 -6.857 -2.495 0.252 1.00 0.97 H new ATOM 0 HB VAL A 52 -3.851 -2.080 0.008 1.00 1.18 H new ATOM 0 HG11 VAL A 52 -4.329 -0.293 1.673 1.00 2.04 H new ATOM 0 HG12 VAL A 52 -5.318 -0.091 0.208 1.00 2.04 H new ATOM 0 HG13 VAL A 52 -6.044 -0.768 1.685 1.00 2.04 H new ATOM 0 HG21 VAL A 52 -3.617 -2.580 2.402 1.00 1.42 H new ATOM 0 HG22 VAL A 52 -5.317 -3.105 2.461 1.00 1.42 H new ATOM 0 HG23 VAL A 52 -4.139 -4.012 1.483 1.00 1.42 H new ATOM 825 N ASP A 53 -6.675 -1.200 -1.944 1.00 0.85 N ATOM 826 CA ASP A 53 -6.592 -0.562 -3.293 1.00 0.93 C ATOM 827 C ASP A 53 -6.511 0.948 -3.139 1.00 0.98 C ATOM 828 O ASP A 53 -7.407 1.564 -2.572 1.00 1.07 O ATOM 829 CB ASP A 53 -7.828 -0.885 -4.134 1.00 1.03 C ATOM 830 CG ASP A 53 -7.834 -2.359 -4.519 1.00 1.57 C ATOM 831 OD1 ASP A 53 -7.835 -3.172 -3.613 1.00 2.60 O ATOM 832 OD2 ASP A 53 -7.951 -2.588 -5.701 1.00 2.38 O ATOM 0 H ASP A 53 -7.437 -0.875 -1.349 1.00 0.85 H new ATOM 0 HA ASP A 53 -5.704 -0.951 -3.791 1.00 0.93 H new ATOM 0 HB2 ASP A 53 -8.731 -0.645 -3.573 1.00 1.03 H new ATOM 0 HB3 ASP A 53 -7.837 -0.267 -5.032 1.00 1.03 H new ATOM 837 N PHE A 54 -5.433 1.503 -3.622 1.00 1.12 N ATOM 838 CA PHE A 54 -5.257 2.976 -3.554 1.00 1.27 C ATOM 839 C PHE A 54 -5.140 3.516 -4.972 1.00 1.26 C ATOM 840 O PHE A 54 -4.978 2.754 -5.916 1.00 1.49 O ATOM 841 CB PHE A 54 -4.017 3.369 -2.712 1.00 1.66 C ATOM 842 CG PHE A 54 -2.897 2.321 -2.706 1.00 1.08 C ATOM 843 CD1 PHE A 54 -2.584 1.565 -3.818 1.00 1.96 C ATOM 844 CD2 PHE A 54 -2.119 2.191 -1.572 1.00 2.11 C ATOM 845 CE1 PHE A 54 -1.510 0.700 -3.787 1.00 2.41 C ATOM 846 CE2 PHE A 54 -1.045 1.333 -1.545 1.00 2.16 C ATOM 847 CZ PHE A 54 -0.737 0.593 -2.656 1.00 1.83 C ATOM 0 H PHE A 54 -4.665 0.995 -4.062 1.00 1.12 H new ATOM 0 HA PHE A 54 -6.123 3.414 -3.058 1.00 1.27 H new ATOM 0 HB2 PHE A 54 -3.617 4.308 -3.093 1.00 1.66 H new ATOM 0 HB3 PHE A 54 -4.333 3.551 -1.685 1.00 1.66 H new ATOM 0 HD1 PHE A 54 -3.181 1.651 -4.714 1.00 1.96 H new ATOM 0 HD2 PHE A 54 -2.358 2.772 -0.693 1.00 2.11 H new ATOM 0 HE1 PHE A 54 -1.275 0.104 -4.656 1.00 2.41 H new ATOM 0 HE2 PHE A 54 -0.446 1.243 -0.651 1.00 2.16 H new ATOM 0 HZ PHE A 54 0.112 -0.074 -2.643 1.00 1.83 H new ATOM 857 N ARG A 55 -5.188 4.809 -5.101 1.00 1.54 N ATOM 858 CA ARG A 55 -5.113 5.411 -6.461 1.00 1.73 C ATOM 859 C ARG A 55 -3.770 6.127 -6.646 1.00 1.74 C ATOM 860 O ARG A 55 -3.334 6.842 -5.762 1.00 2.34 O ATOM 861 CB ARG A 55 -6.298 6.382 -6.568 1.00 2.38 C ATOM 862 CG ARG A 55 -6.426 6.917 -7.994 1.00 3.04 C ATOM 863 CD ARG A 55 -5.492 8.110 -8.180 1.00 3.62 C ATOM 864 NE ARG A 55 -5.052 8.134 -9.591 1.00 4.35 N ATOM 865 CZ ARG A 55 -5.123 9.234 -10.244 1.00 5.42 C ATOM 866 NH1 ARG A 55 -6.297 9.736 -10.466 1.00 6.10 N ATOM 867 NH2 ARG A 55 -4.019 9.781 -10.627 1.00 6.28 N ATOM 0 H ARG A 55 -5.275 5.473 -4.331 1.00 1.54 H new ATOM 0 HA ARG A 55 -5.172 4.657 -7.246 1.00 1.73 H new ATOM 0 HB2 ARG A 55 -7.219 5.874 -6.280 1.00 2.38 H new ATOM 0 HB3 ARG A 55 -6.160 7.211 -5.874 1.00 2.38 H new ATOM 0 HG2 ARG A 55 -6.179 6.134 -8.710 1.00 3.04 H new ATOM 0 HG3 ARG A 55 -7.456 7.215 -8.190 1.00 3.04 H new ATOM 0 HD2 ARG A 55 -6.004 9.038 -7.925 1.00 3.62 H new ATOM 0 HD3 ARG A 55 -4.632 8.028 -7.515 1.00 3.62 H new ATOM 0 HE ARG A 55 -4.698 7.288 -10.038 1.00 4.35 H new ATOM 0 HH11 ARG A 55 -7.130 9.257 -10.124 1.00 6.10 H new ATOM 0 HH12 ARG A 55 -6.388 10.611 -10.983 1.00 6.10 H new ATOM 0 HH21 ARG A 55 -3.127 9.337 -10.408 1.00 6.28 H new ATOM 0 HH22 ARG A 55 -4.038 10.657 -11.149 1.00 6.28 H new ATOM 881 N VAL A 56 -3.154 5.945 -7.799 1.00 1.72 N ATOM 882 CA VAL A 56 -1.846 6.579 -8.074 1.00 2.14 C ATOM 883 C VAL A 56 -1.853 7.349 -9.412 1.00 1.70 C ATOM 884 O VAL A 56 -2.831 7.339 -10.134 1.00 2.33 O ATOM 885 CB VAL A 56 -0.842 5.436 -8.138 1.00 3.19 C ATOM 886 CG1 VAL A 56 -0.714 4.784 -6.752 1.00 4.41 C ATOM 887 CG2 VAL A 56 -1.300 4.383 -9.160 1.00 3.70 C ATOM 0 H VAL A 56 -3.519 5.374 -8.561 1.00 1.72 H new ATOM 0 HA VAL A 56 -1.601 7.307 -7.301 1.00 2.14 H new ATOM 0 HB VAL A 56 0.125 5.833 -8.447 1.00 3.19 H new ATOM 0 HG11 VAL A 56 0.005 3.966 -6.800 1.00 4.41 H new ATOM 0 HG12 VAL A 56 -0.372 5.526 -6.031 1.00 4.41 H new ATOM 0 HG13 VAL A 56 -1.684 4.397 -6.441 1.00 4.41 H new ATOM 0 HG21 VAL A 56 -0.574 3.571 -9.196 1.00 3.70 H new ATOM 0 HG22 VAL A 56 -2.272 3.988 -8.864 1.00 3.70 H new ATOM 0 HG23 VAL A 56 -1.380 4.843 -10.145 1.00 3.70 H new ATOM 897 N LYS A 57 -0.751 7.980 -9.716 1.00 1.77 N ATOM 898 CA LYS A 57 -0.625 8.755 -11.003 1.00 2.18 C ATOM 899 C LYS A 57 0.377 8.030 -11.929 1.00 2.57 C ATOM 900 O LYS A 57 0.700 8.503 -13.002 1.00 3.39 O ATOM 901 CB LYS A 57 -0.109 10.177 -10.669 1.00 2.95 C ATOM 902 CG LYS A 57 -0.923 11.270 -11.405 1.00 4.33 C ATOM 903 CD LYS A 57 -0.546 11.339 -12.902 1.00 6.40 C ATOM 904 CE LYS A 57 0.165 12.664 -13.231 1.00 7.36 C ATOM 905 NZ LYS A 57 1.278 12.918 -12.273 1.00 6.73 N ATOM 0 H LYS A 57 0.081 7.997 -9.126 1.00 1.77 H new ATOM 0 HA LYS A 57 -1.589 8.825 -11.507 1.00 2.18 H new ATOM 0 HB2 LYS A 57 -0.168 10.342 -9.593 1.00 2.95 H new ATOM 0 HB3 LYS A 57 0.942 10.257 -10.947 1.00 2.95 H new ATOM 0 HG2 LYS A 57 -1.988 11.062 -11.305 1.00 4.33 H new ATOM 0 HG3 LYS A 57 -0.742 12.238 -10.937 1.00 4.33 H new ATOM 0 HD2 LYS A 57 0.103 10.501 -13.156 1.00 6.40 H new ATOM 0 HD3 LYS A 57 -1.444 11.243 -13.512 1.00 6.40 H new ATOM 0 HE2 LYS A 57 0.555 12.630 -14.248 1.00 7.36 H new ATOM 0 HE3 LYS A 57 -0.550 13.486 -13.191 1.00 7.36 H new ATOM 0 HZ1 LYS A 57 0.987 13.645 -11.588 1.00 6.73 H new ATOM 0 HZ2 LYS A 57 1.509 12.039 -11.768 1.00 6.73 H new ATOM 0 HZ3 LYS A 57 2.116 13.248 -12.794 1.00 6.73 H new ATOM 919 N ALA A 58 0.905 6.925 -11.446 1.00 3.21 N ATOM 920 CA ALA A 58 1.894 6.099 -12.230 1.00 4.04 C ATOM 921 C ALA A 58 3.275 6.778 -12.229 1.00 4.26 C ATOM 922 O ALA A 58 4.255 6.177 -11.819 1.00 4.77 O ATOM 923 CB ALA A 58 1.406 5.875 -13.670 1.00 5.04 C ATOM 0 H ALA A 58 0.689 6.551 -10.522 1.00 3.21 H new ATOM 0 HA ALA A 58 1.982 5.125 -11.749 1.00 4.04 H new ATOM 0 HB1 ALA A 58 2.138 5.277 -14.213 1.00 5.04 H new ATOM 0 HB2 ALA A 58 0.450 5.352 -13.653 1.00 5.04 H new ATOM 0 HB3 ALA A 58 1.284 6.838 -14.167 1.00 5.04 H new ATOM 929 N GLU A 59 3.323 8.032 -12.640 1.00 4.27 N ATOM 930 CA GLU A 59 4.645 8.754 -12.645 1.00 4.80 C ATOM 931 C GLU A 59 5.071 9.071 -11.205 1.00 3.58 C ATOM 932 O GLU A 59 6.114 9.653 -10.978 1.00 3.47 O ATOM 933 CB GLU A 59 4.596 10.060 -13.484 1.00 5.94 C ATOM 934 CG GLU A 59 3.205 10.714 -13.453 1.00 5.91 C ATOM 935 CD GLU A 59 3.166 11.877 -14.455 1.00 6.68 C ATOM 936 OE1 GLU A 59 3.489 12.979 -14.038 1.00 6.57 O ATOM 937 OE2 GLU A 59 2.794 11.602 -15.581 1.00 7.93 O ATOM 0 H GLU A 59 2.523 8.575 -12.965 1.00 4.27 H new ATOM 0 HA GLU A 59 5.378 8.095 -13.111 1.00 4.80 H new ATOM 0 HB2 GLU A 59 5.336 10.764 -13.102 1.00 5.94 H new ATOM 0 HB3 GLU A 59 4.869 9.838 -14.516 1.00 5.94 H new ATOM 0 HG2 GLU A 59 2.440 9.979 -13.702 1.00 5.91 H new ATOM 0 HG3 GLU A 59 2.984 11.077 -12.449 1.00 5.91 H new ATOM 944 N ASP A 60 4.246 8.679 -10.268 1.00 3.09 N ATOM 945 CA ASP A 60 4.556 8.888 -8.824 1.00 2.44 C ATOM 946 C ASP A 60 5.107 7.562 -8.309 1.00 1.83 C ATOM 947 O ASP A 60 6.133 7.512 -7.651 1.00 2.07 O ATOM 948 CB ASP A 60 3.263 9.242 -8.060 1.00 3.44 C ATOM 949 CG ASP A 60 2.257 8.082 -8.136 1.00 4.78 C ATOM 950 OD1 ASP A 60 1.856 7.804 -9.247 1.00 5.84 O ATOM 951 OD2 ASP A 60 1.977 7.511 -7.102 1.00 5.30 O ATOM 0 H ASP A 60 3.356 8.215 -10.447 1.00 3.09 H new ATOM 0 HA ASP A 60 5.269 9.700 -8.683 1.00 2.44 H new ATOM 0 HB2 ASP A 60 3.498 9.460 -7.018 1.00 3.44 H new ATOM 0 HB3 ASP A 60 2.820 10.144 -8.482 1.00 3.44 H new ATOM 956 N ILE A 61 4.386 6.532 -8.668 1.00 1.82 N ATOM 957 CA ILE A 61 4.719 5.126 -8.295 1.00 1.77 C ATOM 958 C ILE A 61 6.206 4.915 -7.996 1.00 1.42 C ATOM 959 O ILE A 61 6.537 4.238 -7.055 1.00 1.92 O ATOM 960 CB ILE A 61 4.219 4.211 -9.442 1.00 2.41 C ATOM 961 CG1 ILE A 61 3.398 3.071 -8.841 1.00 4.42 C ATOM 962 CG2 ILE A 61 5.363 3.616 -10.274 1.00 2.37 C ATOM 963 CD1 ILE A 61 2.068 3.633 -8.332 1.00 4.63 C ATOM 0 H ILE A 61 3.540 6.615 -9.232 1.00 1.82 H new ATOM 0 HA ILE A 61 4.219 4.874 -7.360 1.00 1.77 H new ATOM 0 HB ILE A 61 3.618 4.826 -10.111 1.00 2.41 H new ATOM 0 HG12 ILE A 61 3.219 2.300 -9.590 1.00 4.42 H new ATOM 0 HG13 ILE A 61 3.946 2.601 -8.024 1.00 4.42 H new ATOM 0 HG21 ILE A 61 4.950 2.985 -11.061 1.00 2.37 H new ATOM 0 HG22 ILE A 61 5.944 4.422 -10.722 1.00 2.37 H new ATOM 0 HG23 ILE A 61 6.008 3.018 -9.630 1.00 2.37 H new ATOM 0 HD11 ILE A 61 1.474 2.827 -7.901 1.00 4.63 H new ATOM 0 HD12 ILE A 61 2.260 4.390 -7.571 1.00 4.63 H new ATOM 0 HD13 ILE A 61 1.522 4.083 -9.161 1.00 4.63 H new ATOM 975 N LEU A 62 7.067 5.453 -8.819 1.00 1.11 N ATOM 976 CA LEU A 62 8.536 5.294 -8.572 1.00 1.00 C ATOM 977 C LEU A 62 8.886 5.328 -7.071 1.00 0.98 C ATOM 978 O LEU A 62 9.594 4.468 -6.601 1.00 1.34 O ATOM 979 CB LEU A 62 9.314 6.398 -9.308 1.00 1.16 C ATOM 980 CG LEU A 62 9.757 5.892 -10.695 1.00 2.03 C ATOM 981 CD1 LEU A 62 8.556 5.826 -11.651 1.00 3.02 C ATOM 982 CD2 LEU A 62 10.822 6.835 -11.273 1.00 2.90 C ATOM 0 H LEU A 62 6.821 5.994 -9.648 1.00 1.11 H new ATOM 0 HA LEU A 62 8.823 4.314 -8.954 1.00 1.00 H new ATOM 0 HB2 LEU A 62 8.689 7.284 -9.417 1.00 1.16 H new ATOM 0 HB3 LEU A 62 10.185 6.692 -8.723 1.00 1.16 H new ATOM 0 HG LEU A 62 10.175 4.891 -10.585 1.00 2.03 H new ATOM 0 HD11 LEU A 62 8.886 5.467 -12.626 1.00 3.02 H new ATOM 0 HD12 LEU A 62 7.807 5.144 -11.248 1.00 3.02 H new ATOM 0 HD13 LEU A 62 8.122 6.820 -11.759 1.00 3.02 H new ATOM 0 HD21 LEU A 62 11.133 6.475 -12.254 1.00 2.90 H new ATOM 0 HD22 LEU A 62 10.406 7.838 -11.370 1.00 2.90 H new ATOM 0 HD23 LEU A 62 11.684 6.863 -10.606 1.00 2.90 H new ATOM 994 N ALA A 63 8.349 6.273 -6.331 1.00 0.93 N ATOM 995 CA ALA A 63 8.693 6.322 -4.879 1.00 1.04 C ATOM 996 C ALA A 63 7.633 5.592 -4.048 1.00 1.13 C ATOM 997 O ALA A 63 7.300 5.986 -2.946 1.00 2.17 O ATOM 998 CB ALA A 63 8.789 7.790 -4.453 1.00 1.36 C ATOM 0 H ALA A 63 7.705 6.992 -6.661 1.00 0.93 H new ATOM 0 HA ALA A 63 9.647 5.823 -4.710 1.00 1.04 H new ATOM 0 HB1 ALA A 63 9.040 7.846 -3.394 1.00 1.36 H new ATOM 0 HB2 ALA A 63 9.564 8.288 -5.036 1.00 1.36 H new ATOM 0 HB3 ALA A 63 7.832 8.282 -4.626 1.00 1.36 H new ATOM 1004 N VAL A 64 7.142 4.540 -4.629 1.00 1.09 N ATOM 1005 CA VAL A 64 6.122 3.667 -3.973 1.00 1.04 C ATOM 1006 C VAL A 64 6.569 2.249 -4.284 1.00 1.12 C ATOM 1007 O VAL A 64 6.700 1.422 -3.394 1.00 1.28 O ATOM 1008 CB VAL A 64 4.717 3.925 -4.557 1.00 1.08 C ATOM 1009 CG1 VAL A 64 3.674 3.203 -3.694 1.00 1.21 C ATOM 1010 CG2 VAL A 64 4.412 5.433 -4.579 1.00 1.22 C ATOM 0 H VAL A 64 7.412 4.234 -5.564 1.00 1.09 H new ATOM 0 HA VAL A 64 6.052 3.858 -2.902 1.00 1.04 H new ATOM 0 HB VAL A 64 4.681 3.548 -5.579 1.00 1.08 H new ATOM 0 HG11 VAL A 64 2.679 3.381 -4.101 1.00 1.21 H new ATOM 0 HG12 VAL A 64 3.880 2.133 -3.694 1.00 1.21 H new ATOM 0 HG13 VAL A 64 3.721 3.582 -2.673 1.00 1.21 H new ATOM 0 HG21 VAL A 64 3.417 5.597 -4.994 1.00 1.22 H new ATOM 0 HG22 VAL A 64 4.451 5.827 -3.563 1.00 1.22 H new ATOM 0 HG23 VAL A 64 5.151 5.945 -5.195 1.00 1.22 H new ATOM 1020 N GLU A 65 6.785 2.014 -5.564 1.00 1.11 N ATOM 1021 CA GLU A 65 7.275 0.682 -6.007 1.00 1.29 C ATOM 1022 C GLU A 65 8.473 0.379 -5.110 1.00 1.31 C ATOM 1023 O GLU A 65 8.576 -0.679 -4.552 1.00 1.40 O ATOM 1024 CB GLU A 65 7.718 0.758 -7.482 1.00 1.52 C ATOM 1025 CG GLU A 65 7.220 -0.468 -8.281 1.00 3.03 C ATOM 1026 CD GLU A 65 5.758 -0.284 -8.708 1.00 2.77 C ATOM 1027 OE1 GLU A 65 5.076 0.463 -8.027 1.00 3.26 O ATOM 1028 OE2 GLU A 65 5.400 -0.920 -9.693 1.00 3.50 O ATOM 0 H GLU A 65 6.640 2.693 -6.312 1.00 1.11 H new ATOM 0 HA GLU A 65 6.508 -0.089 -5.933 1.00 1.29 H new ATOM 0 HB2 GLU A 65 7.331 1.671 -7.934 1.00 1.52 H new ATOM 0 HB3 GLU A 65 8.805 0.812 -7.535 1.00 1.52 H new ATOM 0 HG2 GLU A 65 7.845 -0.612 -9.162 1.00 3.03 H new ATOM 0 HG3 GLU A 65 7.315 -1.367 -7.672 1.00 3.03 H new ATOM 1035 N ASP A 66 9.321 1.377 -4.968 1.00 1.26 N ATOM 1036 CA ASP A 66 10.532 1.262 -4.104 1.00 1.37 C ATOM 1037 C ASP A 66 10.157 0.626 -2.757 1.00 1.29 C ATOM 1038 O ASP A 66 10.558 -0.486 -2.460 1.00 1.29 O ATOM 1039 CB ASP A 66 11.048 2.704 -3.939 1.00 1.39 C ATOM 1040 CG ASP A 66 12.224 2.845 -2.961 1.00 2.09 C ATOM 1041 OD1 ASP A 66 12.351 2.002 -2.078 1.00 2.89 O ATOM 1042 OD2 ASP A 66 12.901 3.847 -3.125 1.00 2.67 O ATOM 0 H ASP A 66 9.216 2.282 -5.427 1.00 1.26 H new ATOM 0 HA ASP A 66 11.301 0.622 -4.536 1.00 1.37 H new ATOM 0 HB2 ASP A 66 11.354 3.082 -4.914 1.00 1.39 H new ATOM 0 HB3 ASP A 66 10.228 3.334 -3.596 1.00 1.39 H new ATOM 1047 N PHE A 67 9.410 1.356 -1.972 1.00 1.27 N ATOM 1048 CA PHE A 67 8.955 0.854 -0.635 1.00 1.24 C ATOM 1049 C PHE A 67 8.514 -0.607 -0.710 1.00 1.20 C ATOM 1050 O PHE A 67 8.823 -1.406 0.156 1.00 1.29 O ATOM 1051 CB PHE A 67 7.772 1.717 -0.182 1.00 1.21 C ATOM 1052 CG PHE A 67 7.390 1.346 1.252 1.00 1.22 C ATOM 1053 CD1 PHE A 67 8.301 1.511 2.278 1.00 1.52 C ATOM 1054 CD2 PHE A 67 6.133 0.840 1.540 1.00 1.08 C ATOM 1055 CE1 PHE A 67 7.964 1.180 3.568 1.00 1.51 C ATOM 1056 CE2 PHE A 67 5.801 0.507 2.833 1.00 1.11 C ATOM 1057 CZ PHE A 67 6.719 0.676 3.844 1.00 1.23 C ATOM 0 H PHE A 67 9.089 2.296 -2.202 1.00 1.27 H new ATOM 0 HA PHE A 67 9.783 0.918 0.071 1.00 1.24 H new ATOM 0 HB2 PHE A 67 8.036 2.773 -0.238 1.00 1.21 H new ATOM 0 HB3 PHE A 67 6.922 1.565 -0.847 1.00 1.21 H new ATOM 0 HD1 PHE A 67 9.284 1.903 2.064 1.00 1.52 H new ATOM 0 HD2 PHE A 67 5.412 0.707 0.747 1.00 1.08 H new ATOM 0 HE1 PHE A 67 8.680 1.317 4.365 1.00 1.51 H new ATOM 0 HE2 PHE A 67 4.820 0.113 3.054 1.00 1.11 H new ATOM 0 HZ PHE A 67 6.458 0.411 4.858 1.00 1.23 H new ATOM 1067 N LEU A 68 7.786 -0.921 -1.746 1.00 1.16 N ATOM 1068 CA LEU A 68 7.305 -2.332 -1.892 1.00 1.22 C ATOM 1069 C LEU A 68 8.404 -3.259 -2.422 1.00 1.21 C ATOM 1070 O LEU A 68 8.371 -4.446 -2.151 1.00 1.35 O ATOM 1071 CB LEU A 68 6.118 -2.392 -2.862 1.00 1.26 C ATOM 1072 CG LEU A 68 5.077 -1.302 -2.542 1.00 1.23 C ATOM 1073 CD1 LEU A 68 3.848 -1.544 -3.412 1.00 1.46 C ATOM 1074 CD2 LEU A 68 4.660 -1.333 -1.066 1.00 1.50 C ATOM 0 H LEU A 68 7.505 -0.279 -2.487 1.00 1.16 H new ATOM 0 HA LEU A 68 7.007 -2.668 -0.899 1.00 1.22 H new ATOM 0 HB2 LEU A 68 6.475 -2.268 -3.884 1.00 1.26 H new ATOM 0 HB3 LEU A 68 5.648 -3.374 -2.805 1.00 1.26 H new ATOM 0 HG LEU A 68 5.519 -0.327 -2.744 1.00 1.23 H new ATOM 0 HD11 LEU A 68 3.097 -0.782 -3.201 1.00 1.46 H new ATOM 0 HD12 LEU A 68 4.131 -1.493 -4.463 1.00 1.46 H new ATOM 0 HD13 LEU A 68 3.436 -2.529 -3.194 1.00 1.46 H new ATOM 0 HD21 LEU A 68 3.925 -0.550 -0.879 1.00 1.50 H new ATOM 0 HD22 LEU A 68 4.223 -2.304 -0.832 1.00 1.50 H new ATOM 0 HD23 LEU A 68 5.535 -1.167 -0.437 1.00 1.50 H new ATOM 1086 N GLU A 69 9.324 -2.714 -3.176 1.00 1.29 N ATOM 1087 CA GLU A 69 10.427 -3.546 -3.746 1.00 1.36 C ATOM 1088 C GLU A 69 11.269 -4.153 -2.623 1.00 1.35 C ATOM 1089 O GLU A 69 11.286 -5.355 -2.425 1.00 1.25 O ATOM 1090 CB GLU A 69 11.326 -2.653 -4.629 1.00 1.89 C ATOM 1091 CG GLU A 69 10.716 -2.486 -6.025 1.00 1.95 C ATOM 1092 CD GLU A 69 11.691 -1.710 -6.922 1.00 3.16 C ATOM 1093 OE1 GLU A 69 11.922 -0.548 -6.617 1.00 4.50 O ATOM 1094 OE2 GLU A 69 12.175 -2.335 -7.852 1.00 3.50 O ATOM 0 H GLU A 69 9.359 -1.725 -3.422 1.00 1.29 H new ATOM 0 HA GLU A 69 9.996 -4.352 -4.340 1.00 1.36 H new ATOM 0 HB2 GLU A 69 11.449 -1.676 -4.161 1.00 1.89 H new ATOM 0 HB3 GLU A 69 12.319 -3.095 -4.711 1.00 1.89 H new ATOM 0 HG2 GLU A 69 10.504 -3.463 -6.460 1.00 1.95 H new ATOM 0 HG3 GLU A 69 9.767 -1.955 -5.957 1.00 1.95 H new ATOM 1101 N GLN A 70 11.946 -3.276 -1.929 1.00 1.67 N ATOM 1102 CA GLN A 70 12.837 -3.679 -0.795 1.00 1.94 C ATOM 1103 C GLN A 70 12.266 -4.815 0.063 1.00 1.86 C ATOM 1104 O GLN A 70 12.977 -5.740 0.390 1.00 2.08 O ATOM 1105 CB GLN A 70 13.108 -2.457 0.102 1.00 2.31 C ATOM 1106 CG GLN A 70 11.806 -1.677 0.351 1.00 3.16 C ATOM 1107 CD GLN A 70 12.085 -0.473 1.248 1.00 3.96 C ATOM 1108 OE1 GLN A 70 12.276 0.694 0.702 1.00 4.79 O flip ATOM 1109 NE2 GLN A 70 12.143 -0.588 2.457 1.00 4.03 N flip ATOM 0 H GLN A 70 11.919 -2.271 -2.104 1.00 1.67 H new ATOM 0 HA GLN A 70 13.758 -4.054 -1.242 1.00 1.94 H new ATOM 0 HB2 GLN A 70 13.532 -2.782 1.052 1.00 2.31 H new ATOM 0 HB3 GLN A 70 13.844 -1.807 -0.370 1.00 2.31 H new ATOM 0 HG2 GLN A 70 11.384 -1.345 -0.597 1.00 3.16 H new ATOM 0 HG3 GLN A 70 11.066 -2.327 0.819 1.00 3.16 H new ATOM 0 HE21 GLN A 70 11.994 -1.499 2.890 1.00 4.03 H new ATOM 0 HE22 GLN A 70 12.340 0.227 3.038 1.00 4.03 H new ATOM 1118 N ASN A 71 11.017 -4.701 0.425 1.00 1.67 N ATOM 1119 CA ASN A 71 10.389 -5.734 1.279 1.00 1.73 C ATOM 1120 C ASN A 71 9.303 -6.479 0.507 1.00 1.38 C ATOM 1121 O ASN A 71 8.327 -6.882 1.095 1.00 1.47 O ATOM 1122 CB ASN A 71 9.764 -5.015 2.479 1.00 1.89 C ATOM 1123 CG ASN A 71 10.730 -3.952 3.008 1.00 2.59 C ATOM 1124 OD1 ASN A 71 10.341 -2.709 3.091 1.00 3.78 O flip ATOM 1125 ND2 ASN A 71 11.867 -4.243 3.329 1.00 2.48 N flip ATOM 0 H ASN A 71 10.405 -3.929 0.161 1.00 1.67 H new ATOM 0 HA ASN A 71 11.134 -6.462 1.600 1.00 1.73 H new ATOM 0 HB2 ASN A 71 8.823 -4.550 2.186 1.00 1.89 H new ATOM 0 HB3 ASN A 71 9.534 -5.734 3.265 1.00 1.89 H new ATOM 0 HD21 ASN A 71 12.182 -5.211 3.268 1.00 2.48 H new ATOM 0 HD22 ASN A 71 12.505 -3.519 3.659 1.00 2.48 H new ATOM 1132 N GLU A 72 9.536 -6.681 -0.776 1.00 1.31 N ATOM 1133 CA GLU A 72 8.546 -7.396 -1.670 1.00 1.21 C ATOM 1134 C GLU A 72 7.133 -7.427 -1.054 1.00 1.12 C ATOM 1135 O GLU A 72 6.583 -8.462 -0.720 1.00 1.53 O ATOM 1136 CB GLU A 72 9.090 -8.816 -1.931 1.00 1.61 C ATOM 1137 CG GLU A 72 8.124 -9.702 -2.757 1.00 3.07 C ATOM 1138 CD GLU A 72 7.552 -8.976 -3.986 1.00 4.13 C ATOM 1139 OE1 GLU A 72 6.613 -8.214 -3.789 1.00 5.26 O ATOM 1140 OE2 GLU A 72 8.055 -9.261 -5.058 1.00 4.68 O ATOM 0 H GLU A 72 10.385 -6.376 -1.252 1.00 1.31 H new ATOM 0 HA GLU A 72 8.442 -6.859 -2.613 1.00 1.21 H new ATOM 0 HB2 GLU A 72 10.042 -8.742 -2.456 1.00 1.61 H new ATOM 0 HB3 GLU A 72 9.290 -9.302 -0.976 1.00 1.61 H new ATOM 0 HG2 GLU A 72 8.650 -10.599 -3.083 1.00 3.07 H new ATOM 0 HG3 GLU A 72 7.303 -10.029 -2.119 1.00 3.07 H new ATOM 1147 N LEU A 73 6.581 -6.255 -0.906 1.00 0.81 N ATOM 1148 CA LEU A 73 5.220 -6.137 -0.329 1.00 0.78 C ATOM 1149 C LEU A 73 4.202 -6.340 -1.459 1.00 1.07 C ATOM 1150 O LEU A 73 3.490 -5.420 -1.828 1.00 2.06 O ATOM 1151 CB LEU A 73 5.068 -4.737 0.282 1.00 0.75 C ATOM 1152 CG LEU A 73 6.160 -4.466 1.333 1.00 1.53 C ATOM 1153 CD1 LEU A 73 6.145 -2.985 1.724 1.00 1.91 C ATOM 1154 CD2 LEU A 73 5.910 -5.274 2.609 1.00 2.65 C ATOM 0 H LEU A 73 7.020 -5.371 -1.163 1.00 0.81 H new ATOM 0 HA LEU A 73 5.054 -6.884 0.447 1.00 0.78 H new ATOM 0 HB2 LEU A 73 5.123 -3.986 -0.506 1.00 0.75 H new ATOM 0 HB3 LEU A 73 4.085 -4.643 0.743 1.00 0.75 H new ATOM 0 HG LEU A 73 7.116 -4.751 0.893 1.00 1.53 H new ATOM 0 HD11 LEU A 73 6.919 -2.797 2.468 1.00 1.91 H new ATOM 0 HD12 LEU A 73 6.334 -2.374 0.841 1.00 1.91 H new ATOM 0 HD13 LEU A 73 5.171 -2.729 2.141 1.00 1.91 H new ATOM 0 HD21 LEU A 73 6.697 -5.063 3.333 1.00 2.65 H new ATOM 0 HD22 LEU A 73 4.944 -4.997 3.031 1.00 2.65 H new ATOM 0 HD23 LEU A 73 5.911 -6.338 2.372 1.00 2.65 H new ATOM 1166 N GLN A 74 4.252 -7.540 -2.005 1.00 1.22 N ATOM 1167 CA GLN A 74 3.352 -7.995 -3.129 1.00 1.56 C ATOM 1168 C GLN A 74 2.357 -6.930 -3.612 1.00 1.41 C ATOM 1169 O GLN A 74 1.405 -6.623 -2.925 1.00 1.44 O ATOM 1170 CB GLN A 74 2.567 -9.223 -2.639 1.00 1.93 C ATOM 1171 CG GLN A 74 3.481 -10.454 -2.592 1.00 2.66 C ATOM 1172 CD GLN A 74 3.834 -10.881 -4.016 1.00 4.35 C ATOM 1173 OE1 GLN A 74 4.993 -10.571 -4.498 1.00 5.20 O flip ATOM 1174 NE2 GLN A 74 3.048 -11.478 -4.719 1.00 5.49 N flip ATOM 0 H GLN A 74 4.912 -8.256 -1.702 1.00 1.22 H new ATOM 0 HA GLN A 74 3.993 -8.219 -3.982 1.00 1.56 H new ATOM 0 HB2 GLN A 74 2.156 -9.029 -1.648 1.00 1.93 H new ATOM 0 HB3 GLN A 74 1.724 -9.413 -3.303 1.00 1.93 H new ATOM 0 HG2 GLN A 74 4.389 -10.225 -2.034 1.00 2.66 H new ATOM 0 HG3 GLN A 74 2.983 -11.270 -2.069 1.00 2.66 H new ATOM 0 HE21 GLN A 74 2.129 -11.731 -4.356 1.00 5.49 H new ATOM 0 HE22 GLN A 74 3.305 -11.728 -5.674 1.00 5.49 H new ATOM 1183 N TYR A 75 2.570 -6.407 -4.793 1.00 1.55 N ATOM 1184 CA TYR A 75 1.625 -5.364 -5.310 1.00 1.45 C ATOM 1185 C TYR A 75 1.094 -5.761 -6.690 1.00 1.63 C ATOM 1186 O TYR A 75 1.539 -6.741 -7.262 1.00 1.67 O ATOM 1187 CB TYR A 75 2.360 -4.017 -5.361 1.00 1.42 C ATOM 1188 CG TYR A 75 3.348 -3.959 -6.528 1.00 1.73 C ATOM 1189 CD1 TYR A 75 4.635 -4.435 -6.383 1.00 2.00 C ATOM 1190 CD2 TYR A 75 2.972 -3.393 -7.731 1.00 2.02 C ATOM 1191 CE1 TYR A 75 5.537 -4.340 -7.422 1.00 2.41 C ATOM 1192 CE2 TYR A 75 3.873 -3.301 -8.767 1.00 2.45 C ATOM 1193 CZ TYR A 75 5.161 -3.771 -8.622 1.00 2.61 C ATOM 1194 OH TYR A 75 6.067 -3.630 -9.650 1.00 3.13 O ATOM 0 H TYR A 75 3.342 -6.650 -5.414 1.00 1.55 H new ATOM 0 HA TYR A 75 0.766 -5.277 -4.645 1.00 1.45 H new ATOM 0 HB2 TYR A 75 1.634 -3.209 -5.457 1.00 1.42 H new ATOM 0 HB3 TYR A 75 2.893 -3.857 -4.424 1.00 1.42 H new ATOM 0 HD1 TYR A 75 4.938 -4.885 -5.449 1.00 2.00 H new ATOM 0 HD2 TYR A 75 1.966 -3.021 -7.859 1.00 2.02 H new ATOM 0 HE1 TYR A 75 6.543 -4.713 -7.296 1.00 2.41 H new ATOM 0 HE2 TYR A 75 3.568 -2.856 -9.703 1.00 2.45 H new ATOM 0 HH TYR A 75 6.101 -2.691 -9.930 1.00 3.13 H new ATOM 1204 N GLU A 76 0.162 -4.989 -7.193 1.00 1.88 N ATOM 1205 CA GLU A 76 -0.427 -5.308 -8.531 1.00 2.13 C ATOM 1206 C GLU A 76 -0.598 -4.013 -9.335 1.00 2.24 C ATOM 1207 O GLU A 76 -0.936 -2.994 -8.755 1.00 2.33 O ATOM 1208 CB GLU A 76 -1.807 -5.966 -8.333 1.00 2.51 C ATOM 1209 CG GLU A 76 -1.677 -7.267 -7.520 1.00 1.98 C ATOM 1210 CD GLU A 76 -3.061 -7.867 -7.226 1.00 2.37 C ATOM 1211 OE1 GLU A 76 -3.853 -7.901 -8.160 1.00 3.15 O ATOM 1212 OE2 GLU A 76 -3.256 -8.241 -6.077 1.00 3.04 O ATOM 0 H GLU A 76 -0.214 -4.157 -6.739 1.00 1.88 H new ATOM 0 HA GLU A 76 0.234 -5.988 -9.068 1.00 2.13 H new ATOM 0 HB2 GLU A 76 -2.475 -5.275 -7.819 1.00 2.51 H new ATOM 0 HB3 GLU A 76 -2.256 -6.180 -9.303 1.00 2.51 H new ATOM 0 HG2 GLU A 76 -1.073 -7.987 -8.072 1.00 1.98 H new ATOM 0 HG3 GLU A 76 -1.156 -7.066 -6.584 1.00 1.98 H new ATOM 1219 N VAL A 77 -0.423 -4.090 -10.640 1.00 2.35 N ATOM 1220 CA VAL A 77 -0.590 -2.865 -11.494 1.00 2.59 C ATOM 1221 C VAL A 77 -1.974 -2.903 -12.162 1.00 3.06 C ATOM 1222 O VAL A 77 -2.401 -1.974 -12.822 1.00 4.59 O ATOM 1223 CB VAL A 77 0.529 -2.841 -12.559 1.00 2.45 C ATOM 1224 CG1 VAL A 77 0.504 -1.513 -13.333 1.00 2.85 C ATOM 1225 CG2 VAL A 77 1.902 -2.997 -11.885 1.00 2.47 C ATOM 0 H VAL A 77 -0.174 -4.941 -11.145 1.00 2.35 H new ATOM 0 HA VAL A 77 -0.519 -1.963 -10.886 1.00 2.59 H new ATOM 0 HB VAL A 77 0.360 -3.667 -13.250 1.00 2.45 H new ATOM 0 HG11 VAL A 77 1.298 -1.512 -14.079 1.00 2.85 H new ATOM 0 HG12 VAL A 77 -0.460 -1.399 -13.829 1.00 2.85 H new ATOM 0 HG13 VAL A 77 0.656 -0.685 -12.640 1.00 2.85 H new ATOM 0 HG21 VAL A 77 2.684 -2.979 -12.644 1.00 2.47 H new ATOM 0 HG22 VAL A 77 2.058 -2.178 -11.183 1.00 2.47 H new ATOM 0 HG23 VAL A 77 1.939 -3.945 -11.349 1.00 2.47 H new ATOM 1235 N LEU A 78 -2.637 -3.984 -11.892 1.00 2.31 N ATOM 1236 CA LEU A 78 -4.017 -4.264 -12.413 1.00 2.67 C ATOM 1237 C LEU A 78 -4.072 -4.284 -13.947 1.00 2.83 C ATOM 1238 O LEU A 78 -4.220 -5.321 -14.561 1.00 2.85 O ATOM 1239 CB LEU A 78 -5.010 -3.195 -11.900 1.00 3.16 C ATOM 1240 CG LEU A 78 -5.079 -3.162 -10.359 1.00 3.33 C ATOM 1241 CD1 LEU A 78 -3.865 -2.430 -9.774 1.00 4.43 C ATOM 1242 CD2 LEU A 78 -6.346 -2.413 -9.936 1.00 4.80 C ATOM 0 H LEU A 78 -2.267 -4.729 -11.302 1.00 2.31 H new ATOM 0 HA LEU A 78 -4.293 -5.253 -12.046 1.00 2.67 H new ATOM 0 HB2 LEU A 78 -4.711 -2.215 -12.271 1.00 3.16 H new ATOM 0 HB3 LEU A 78 -6.002 -3.399 -12.303 1.00 3.16 H new ATOM 0 HG LEU A 78 -5.089 -4.187 -9.989 1.00 3.33 H new ATOM 0 HD11 LEU A 78 -3.936 -2.420 -8.686 1.00 4.43 H new ATOM 0 HD12 LEU A 78 -2.951 -2.944 -10.073 1.00 4.43 H new ATOM 0 HD13 LEU A 78 -3.844 -1.406 -10.146 1.00 4.43 H new ATOM 0 HD21 LEU A 78 -6.405 -2.384 -8.848 1.00 4.80 H new ATOM 0 HD22 LEU A 78 -6.314 -1.395 -10.325 1.00 4.80 H new ATOM 0 HD23 LEU A 78 -7.222 -2.926 -10.333 1.00 4.80 H new ATOM 1254 N ILE A 79 -3.922 -3.138 -14.543 1.00 3.82 N ATOM 1255 CA ILE A 79 -3.988 -3.058 -16.038 1.00 4.30 C ATOM 1256 C ILE A 79 -2.643 -2.595 -16.601 1.00 5.48 C ATOM 1257 O ILE A 79 -2.428 -1.419 -16.848 1.00 6.84 O ATOM 1258 CB ILE A 79 -5.107 -2.082 -16.447 1.00 5.64 C ATOM 1259 CG1 ILE A 79 -6.419 -2.497 -15.755 1.00 6.17 C ATOM 1260 CG2 ILE A 79 -5.298 -2.150 -17.972 1.00 5.99 C ATOM 1261 CD1 ILE A 79 -7.515 -1.457 -16.022 1.00 7.80 C ATOM 0 H ILE A 79 -3.757 -2.251 -14.067 1.00 3.82 H new ATOM 0 HA ILE A 79 -4.208 -4.045 -16.445 1.00 4.30 H new ATOM 0 HB ILE A 79 -4.840 -1.068 -16.151 1.00 5.64 H new ATOM 0 HG12 ILE A 79 -6.738 -3.473 -16.121 1.00 6.17 H new ATOM 0 HG13 ILE A 79 -6.256 -2.596 -14.682 1.00 6.17 H new ATOM 0 HG21 ILE A 79 -6.089 -1.462 -18.271 1.00 5.99 H new ATOM 0 HG22 ILE A 79 -4.368 -1.872 -18.468 1.00 5.99 H new ATOM 0 HG23 ILE A 79 -5.573 -3.165 -18.259 1.00 5.99 H new ATOM 0 HD11 ILE A 79 -8.436 -1.764 -15.527 1.00 7.80 H new ATOM 0 HD12 ILE A 79 -7.200 -0.488 -15.634 1.00 7.80 H new ATOM 0 HD13 ILE A 79 -7.689 -1.379 -17.095 1.00 7.80 H new ATOM 1273 N ASN A 80 -1.772 -3.544 -16.782 1.00 5.63 N ATOM 1274 CA ASN A 80 -0.420 -3.243 -17.326 1.00 7.40 C ATOM 1275 C ASN A 80 -0.291 -3.944 -18.683 1.00 8.33 C ATOM 1276 O ASN A 80 0.406 -4.934 -18.805 1.00 9.08 O ATOM 1277 CB ASN A 80 0.629 -3.777 -16.339 1.00 8.25 C ATOM 1278 CG ASN A 80 2.025 -3.284 -16.724 1.00 9.64 C ATOM 1279 OD1 ASN A 80 2.638 -2.522 -16.008 1.00 10.61 O ATOM 1280 ND2 ASN A 80 2.567 -3.685 -17.835 1.00 10.11 N ATOM 0 H ASN A 80 -1.941 -4.528 -16.574 1.00 5.63 H new ATOM 0 HA ASN A 80 -0.269 -2.171 -17.457 1.00 7.40 H new ATOM 0 HB2 ASN A 80 0.387 -3.449 -15.328 1.00 8.25 H new ATOM 0 HB3 ASN A 80 0.610 -4.867 -16.333 1.00 8.25 H new ATOM 0 HD21 ASN A 80 3.498 -3.359 -18.095 1.00 10.11 H new ATOM 0 HD22 ASN A 80 2.062 -4.326 -18.447 1.00 10.11 H new ATOM 1287 N ASN A 81 -1.008 -3.443 -19.654 1.00 8.78 N ATOM 1288 CA ASN A 81 -0.957 -4.057 -21.017 1.00 10.19 C ATOM 1289 C ASN A 81 -0.591 -3.005 -22.066 1.00 11.44 C ATOM 1290 O ASN A 81 0.170 -3.366 -22.943 1.00 12.34 O ATOM 1291 CB ASN A 81 -2.319 -4.679 -21.362 1.00 10.45 C ATOM 1292 CG ASN A 81 -3.445 -3.671 -21.116 1.00 10.86 C ATOM 1293 OD1 ASN A 81 -4.168 -3.755 -20.146 1.00 10.99 O ATOM 1294 ND2 ASN A 81 -3.613 -2.688 -21.945 1.00 11.48 N ATOM 1295 OXT ASN A 81 -1.103 -1.872 -21.936 1.00 11.80 O ATOM 0 H ASN A 81 -1.626 -2.637 -19.564 1.00 8.78 H new ATOM 0 HA ASN A 81 -0.193 -4.834 -21.018 1.00 10.19 H new ATOM 0 HB2 ASN A 81 -2.327 -4.996 -22.405 1.00 10.45 H new ATOM 0 HB3 ASN A 81 -2.482 -5.571 -20.757 1.00 10.45 H new ATOM 0 HD21 ASN A 81 -4.346 -1.999 -21.777 1.00 11.48 H new ATOM 0 HD22 ASN A 81 -3.013 -2.604 -22.765 1.00 11.48 H new TER 1302 ASN A 81