USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 812 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 21 GLN : amide:sc= 0 X(o=-1.6,f=-1.6) USER MOD Set 1.2: A 22 HIS :FLIP no HE2:sc= -2.33! C(o=-4.6!,f=-1.6!) USER MOD Set 1.3: A 81 SER OG : rot -154:sc= 0.713 USER MOD Set 2.1: A 73 GLN : amide:sc= -4.82! C(o=-11!,f=-19!) USER MOD Set 2.2: A 74 GLN :FLIP amide:sc= -5.94! C(o=-15!,f=-11!) USER MOD Set 3.1: A 65 GLN :FLIP amide:sc= -7.08! C(o=-12!,f=-7.1!) USER MOD Set 3.2: A 66 GLN : amide:sc= 0 X(o=-7.1,f=-7.1) USER MOD Set 4.1: A 53 SER OG : rot -167:sc= -0.156 USER MOD Set 4.2: A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 20 ASN :FLIP amide:sc= -0.423 X(o=-3.5,f=-3.2) USER MOD Set 5.2: A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.3: A 31 ASN :FLIP amide:sc= -2.78! C(o=-5.3!,f=-3.2!) USER MOD Single : A 1 MET CE :methyl -121:sc= -0.0126 (180deg=-0.177) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN :FLIP amide:sc= -0.378 F(o=-1.2!,f=-0.38) USER MOD Single : A 13 GLN :FLIP amide:sc= -0.0052 F(o=-1.1!,f=-0.0052) USER MOD Single : A 17 LYS NZ :NH3+ 145:sc= -0.17 (180deg=-1.07) USER MOD Single : A 18 HIS : no HD1:sc= -0.555 X(o=-0.55,f=-1) USER MOD Single : A 24 GLN : amide:sc= -1.9 K(o=-1.9,f=-5.7!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 155:sc= -0.0486 (180deg=-0.368) USER MOD Single : A 29 ASN : amide:sc= -2.23! C(o=-2.2!,f=-11!) USER MOD Single : A 32 LYS NZ :NH3+ 175:sc= -1.8 (180deg=-1.96) USER MOD Single : A 35 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.034) USER MOD Single : A 36 HIS : no HD1:sc= -0.269 X(o=-0.27,f=0.056) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.167 F(o=-3!,f=-0.17) USER MOD Single : A 39 ASN : amide:sc= -0.175 K(o=-0.18,f=-1.5!) USER MOD Single : A 45 HIS : no HE2:sc= -2.08 X(o=-2.1,f=-2.4) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.745 K(o=-0.75,f=-1.5) USER MOD Single : A 58 GLN :FLIP amide:sc= -2.57 F(o=-5.9!,f=-2.6) USER MOD Single : A 60 MET CE :methyl 153:sc= -4.03 (180deg=-6.54!) USER MOD Single : A 61 MET CE :methyl 162:sc= 0 (180deg=-0.141) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.0322 K(o=-0.032,f=-1.7!) USER MOD Single : A 80 ASN : amide:sc= -0.608 X(o=-0.61,f=-0.94) USER MOD Single : A 83 HIS : no HD1:sc= -0.396 X(o=-0.4,f=-0.78) USER MOD Single : A 84 ASN : amide:sc=-0.00614 K(o=-0.0061,f=-1.1) USER MOD Single : A 86 HIS : no HE2:sc= -5.52! C(o=-5.5!,f=-5.6!) USER MOD Single : A 88 ASN : amide:sc= -5.41! C(o=-5.4!,f=-6.5!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.325 X(o=-0.32,f=-0.11) USER MOD Single : A 95 HIS : no HD1:sc= -0.433 K(o=-0.43,f=-1.7) USER MOD Single : A 101 HIS :FLIP no HE2:sc= -0.123 F(o=-0.8,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.838 -19.641 -12.488 1.00 0.00 N ATOM 2 CA MET A 1 2.740 -18.423 -11.638 1.00 0.00 C ATOM 3 C MET A 1 1.860 -17.383 -12.333 1.00 0.00 C ATOM 4 O MET A 1 1.983 -17.141 -13.518 1.00 0.00 O ATOM 5 CB MET A 1 4.139 -17.841 -11.416 1.00 0.00 C ATOM 6 CG MET A 1 4.024 -16.492 -10.705 1.00 0.00 C ATOM 7 SD MET A 1 4.107 -15.158 -11.926 1.00 0.00 S ATOM 8 CE MET A 1 5.897 -15.194 -12.184 1.00 0.00 C ATOM 0 H1 MET A 1 3.437 -20.348 -12.015 1.00 0.00 H new ATOM 0 H2 MET A 1 1.888 -20.037 -12.638 1.00 0.00 H new ATOM 0 H3 MET A 1 3.258 -19.391 -13.406 1.00 0.00 H new ATOM 0 HA MET A 1 2.299 -18.687 -10.677 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.740 -18.528 -10.820 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.649 -17.718 -12.371 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.085 -16.438 -10.155 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.827 -16.383 -9.976 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.320 -14.220 -11.938 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.342 -15.955 -11.543 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.110 -15.429 -13.227 1.00 0.00 H new ATOM 20 N TYR A 2 0.972 -16.765 -11.604 1.00 0.00 N ATOM 21 CA TYR A 2 0.083 -15.740 -12.217 1.00 0.00 C ATOM 22 C TYR A 2 0.912 -14.515 -12.612 1.00 0.00 C ATOM 23 O TYR A 2 1.245 -14.325 -13.765 1.00 0.00 O ATOM 24 CB TYR A 2 -0.988 -15.332 -11.203 1.00 0.00 C ATOM 25 CG TYR A 2 -0.736 -16.049 -9.898 1.00 0.00 C ATOM 26 CD1 TYR A 2 0.385 -15.721 -9.126 1.00 0.00 C ATOM 27 CD2 TYR A 2 -1.621 -17.042 -9.461 1.00 0.00 C ATOM 28 CE1 TYR A 2 0.621 -16.385 -7.917 1.00 0.00 C ATOM 29 CE2 TYR A 2 -1.383 -17.707 -8.252 1.00 0.00 C ATOM 30 CZ TYR A 2 -0.263 -17.379 -7.480 1.00 0.00 C ATOM 31 OH TYR A 2 -0.030 -18.034 -6.288 1.00 0.00 O ATOM 0 H TYR A 2 0.824 -16.927 -10.608 1.00 0.00 H new ATOM 0 HA TYR A 2 -0.395 -16.152 -13.106 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -0.967 -14.253 -11.049 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -1.979 -15.581 -11.583 1.00 0.00 H new ATOM 0 HD1 TYR A 2 1.068 -14.955 -9.464 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -2.486 -17.295 -10.056 1.00 0.00 H new ATOM 0 HE1 TYR A 2 1.485 -16.131 -7.321 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -2.065 -18.474 -7.915 1.00 0.00 H new ATOM 0 HH TYR A 2 -0.739 -18.693 -6.133 1.00 0.00 H new ATOM 41 N GLY A 3 1.247 -13.685 -11.664 1.00 0.00 N ATOM 42 CA GLY A 3 2.053 -12.473 -11.984 1.00 0.00 C ATOM 43 C GLY A 3 1.264 -11.221 -11.598 1.00 0.00 C ATOM 44 O GLY A 3 1.786 -10.123 -11.599 1.00 0.00 O ATOM 0 H GLY A 3 0.998 -13.793 -10.681 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.000 -12.500 -11.445 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.292 -12.452 -13.047 1.00 0.00 H new ATOM 48 N LYS A 4 0.012 -11.375 -11.267 1.00 0.00 N ATOM 49 CA LYS A 4 -0.805 -10.191 -10.883 1.00 0.00 C ATOM 50 C LYS A 4 -0.117 -9.442 -9.746 1.00 0.00 C ATOM 51 O LYS A 4 -0.084 -8.228 -9.729 1.00 0.00 O ATOM 52 CB LYS A 4 -2.186 -10.649 -10.424 1.00 0.00 C ATOM 53 CG LYS A 4 -2.885 -11.365 -11.578 1.00 0.00 C ATOM 54 CD LYS A 4 -3.719 -10.357 -12.372 1.00 0.00 C ATOM 55 CE LYS A 4 -5.023 -10.071 -11.627 1.00 0.00 C ATOM 56 NZ LYS A 4 -6.176 -10.552 -12.440 1.00 0.00 N ATOM 0 H LYS A 4 -0.480 -12.268 -11.246 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.908 -9.531 -11.744 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.095 -11.317 -9.567 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.777 -9.793 -10.099 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.148 -11.836 -12.228 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.524 -12.160 -11.193 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.157 -9.433 -12.510 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.935 -10.750 -13.365 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.016 -10.568 -10.657 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.119 -9.002 -11.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.063 -10.358 -11.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.185 -10.059 -13.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.086 -11.576 -12.599 1.00 0.00 H new ATOM 70 N LEU A 5 0.435 -10.146 -8.794 1.00 0.00 N ATOM 71 CA LEU A 5 1.117 -9.441 -7.677 1.00 0.00 C ATOM 72 C LEU A 5 1.878 -8.257 -8.260 1.00 0.00 C ATOM 73 O LEU A 5 1.670 -7.123 -7.876 1.00 0.00 O ATOM 74 CB LEU A 5 2.102 -10.380 -6.972 1.00 0.00 C ATOM 75 CG LEU A 5 1.377 -11.564 -6.304 1.00 0.00 C ATOM 76 CD1 LEU A 5 -0.108 -11.262 -6.071 1.00 0.00 C ATOM 77 CD2 LEU A 5 1.506 -12.803 -7.186 1.00 0.00 C ATOM 0 H LEU A 5 0.443 -11.165 -8.743 1.00 0.00 H new ATOM 0 HA LEU A 5 0.378 -9.106 -6.949 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.827 -10.757 -7.694 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.661 -9.824 -6.220 1.00 0.00 H new ATOM 0 HG LEU A 5 1.844 -11.737 -5.334 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.584 -12.121 -5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.205 -10.391 -5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.592 -11.059 -7.026 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.993 -13.641 -6.714 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.057 -12.605 -8.159 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.560 -13.049 -7.316 1.00 0.00 H new ATOM 89 N ASN A 6 2.745 -8.504 -9.203 1.00 0.00 N ATOM 90 CA ASN A 6 3.492 -7.379 -9.819 1.00 0.00 C ATOM 91 C ASN A 6 2.519 -6.219 -10.013 1.00 0.00 C ATOM 92 O ASN A 6 2.860 -5.068 -9.821 1.00 0.00 O ATOM 93 CB ASN A 6 4.061 -7.810 -11.172 1.00 0.00 C ATOM 94 CG ASN A 6 5.528 -7.385 -11.267 1.00 0.00 C ATOM 95 OD1 ASN A 6 6.278 -7.432 -10.201 1.00 0.00 O flip ATOM 96 ND2 ASN A 6 5.995 -7.006 -12.323 1.00 0.00 N flip ATOM 0 H ASN A 6 2.965 -9.430 -9.569 1.00 0.00 H new ATOM 0 HA ASN A 6 4.320 -7.078 -9.177 1.00 0.00 H new ATOM 0 HB2 ASN A 6 3.976 -8.891 -11.287 1.00 0.00 H new ATOM 0 HB3 ASN A 6 3.487 -7.358 -11.981 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.408 -6.969 -13.156 1.00 0.00 H new ATOM 0 HD22 ASN A 6 6.974 -6.724 -12.376 1.00 0.00 H new ATOM 103 N ASP A 7 1.297 -6.516 -10.371 1.00 0.00 N ATOM 104 CA ASP A 7 0.298 -5.428 -10.550 1.00 0.00 C ATOM 105 C ASP A 7 0.035 -4.794 -9.186 1.00 0.00 C ATOM 106 O ASP A 7 -0.079 -3.590 -9.057 1.00 0.00 O ATOM 107 CB ASP A 7 -1.000 -6.009 -11.109 1.00 0.00 C ATOM 108 CG ASP A 7 -1.811 -4.897 -11.779 1.00 0.00 C ATOM 109 OD1 ASP A 7 -1.535 -3.742 -11.501 1.00 0.00 O ATOM 110 OD2 ASP A 7 -2.691 -5.220 -12.559 1.00 0.00 O ATOM 0 H ASP A 7 0.952 -7.460 -10.546 1.00 0.00 H new ATOM 0 HA ASP A 7 0.675 -4.679 -11.247 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.778 -6.796 -11.830 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.581 -6.465 -10.308 1.00 0.00 H new ATOM 115 N LEU A 8 -0.035 -5.600 -8.160 1.00 0.00 N ATOM 116 CA LEU A 8 -0.260 -5.052 -6.794 1.00 0.00 C ATOM 117 C LEU A 8 1.025 -4.359 -6.350 1.00 0.00 C ATOM 118 O LEU A 8 1.014 -3.274 -5.803 1.00 0.00 O ATOM 119 CB LEU A 8 -0.562 -6.203 -5.828 1.00 0.00 C ATOM 120 CG LEU A 8 -2.044 -6.220 -5.455 1.00 0.00 C ATOM 121 CD1 LEU A 8 -2.446 -4.867 -4.865 1.00 0.00 C ATOM 122 CD2 LEU A 8 -2.886 -6.511 -6.700 1.00 0.00 C ATOM 0 H LEU A 8 0.054 -6.615 -8.211 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.097 -4.353 -6.798 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.287 -7.152 -6.288 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.044 -6.097 -4.928 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.217 -6.999 -4.713 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.503 -4.885 -4.601 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.852 -4.668 -3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.269 -4.082 -5.601 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.942 -6.522 -6.430 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.710 -5.737 -7.447 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.606 -7.481 -7.110 1.00 0.00 H new ATOM 134 N LEU A 9 2.135 -4.998 -6.590 1.00 0.00 N ATOM 135 CA LEU A 9 3.450 -4.420 -6.201 1.00 0.00 C ATOM 136 C LEU A 9 3.709 -3.133 -6.984 1.00 0.00 C ATOM 137 O LEU A 9 3.777 -2.056 -6.424 1.00 0.00 O ATOM 138 CB LEU A 9 4.550 -5.432 -6.524 1.00 0.00 C ATOM 139 CG LEU A 9 5.734 -5.224 -5.581 1.00 0.00 C ATOM 140 CD1 LEU A 9 6.791 -6.291 -5.854 1.00 0.00 C ATOM 141 CD2 LEU A 9 6.338 -3.839 -5.818 1.00 0.00 C ATOM 0 H LEU A 9 2.187 -5.909 -7.046 1.00 0.00 H new ATOM 0 HA LEU A 9 3.444 -4.195 -5.135 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.165 -6.447 -6.422 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.872 -5.316 -7.559 1.00 0.00 H new ATOM 0 HG LEU A 9 5.395 -5.301 -4.548 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.637 -6.145 -5.183 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.362 -7.279 -5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.130 -6.212 -6.887 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.183 -3.690 -5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.679 -3.762 -6.851 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.584 -3.076 -5.627 1.00 0.00 H new ATOM 153 N GLU A 10 3.868 -3.236 -8.276 1.00 0.00 N ATOM 154 CA GLU A 10 4.139 -2.022 -9.096 1.00 0.00 C ATOM 155 C GLU A 10 3.144 -0.916 -8.737 1.00 0.00 C ATOM 156 O GLU A 10 3.522 0.160 -8.321 1.00 0.00 O ATOM 157 CB GLU A 10 4.005 -2.368 -10.579 1.00 0.00 C ATOM 158 CG GLU A 10 5.139 -3.310 -10.991 1.00 0.00 C ATOM 159 CD GLU A 10 5.429 -3.135 -12.482 1.00 0.00 C ATOM 160 OE1 GLU A 10 4.524 -3.352 -13.271 1.00 0.00 O ATOM 161 OE2 GLU A 10 6.552 -2.787 -12.810 1.00 0.00 O ATOM 0 H GLU A 10 3.822 -4.110 -8.799 1.00 0.00 H new ATOM 0 HA GLU A 10 5.151 -1.672 -8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.040 -2.840 -10.767 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.038 -1.459 -11.179 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.034 -3.096 -10.408 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.862 -4.343 -10.782 1.00 0.00 H new ATOM 168 N ASP A 11 1.875 -1.166 -8.901 1.00 0.00 N ATOM 169 CA ASP A 11 0.869 -0.118 -8.570 1.00 0.00 C ATOM 170 C ASP A 11 1.089 0.362 -7.134 1.00 0.00 C ATOM 171 O ASP A 11 1.250 1.536 -6.882 1.00 0.00 O ATOM 172 CB ASP A 11 -0.538 -0.700 -8.705 1.00 0.00 C ATOM 173 CG ASP A 11 -0.842 -0.964 -10.180 1.00 0.00 C ATOM 174 OD1 ASP A 11 -0.250 -1.876 -10.732 1.00 0.00 O ATOM 175 OD2 ASP A 11 -1.660 -0.248 -10.734 1.00 0.00 O ATOM 0 H ASP A 11 1.492 -2.045 -9.248 1.00 0.00 H new ATOM 0 HA ASP A 11 0.980 0.722 -9.255 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.616 -1.626 -8.135 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.271 -0.008 -8.290 1.00 0.00 H new ATOM 180 N LEU A 12 1.094 -0.541 -6.195 1.00 0.00 N ATOM 181 CA LEU A 12 1.300 -0.150 -4.771 1.00 0.00 C ATOM 182 C LEU A 12 2.546 0.732 -4.635 1.00 0.00 C ATOM 183 O LEU A 12 2.475 1.852 -4.170 1.00 0.00 O ATOM 184 CB LEU A 12 1.476 -1.420 -3.933 1.00 0.00 C ATOM 185 CG LEU A 12 1.848 -1.052 -2.495 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.683 -0.312 -1.837 1.00 0.00 C ATOM 187 CD2 LEU A 12 2.148 -2.331 -1.709 1.00 0.00 C ATOM 0 H LEU A 12 0.963 -1.540 -6.353 1.00 0.00 H new ATOM 0 HA LEU A 12 0.436 0.415 -4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.554 -2.001 -3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.253 -2.048 -4.369 1.00 0.00 H new ATOM 0 HG LEU A 12 2.728 -0.408 -2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.950 -0.051 -0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.466 0.597 -2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.198 -0.954 -1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.414 -2.074 -0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.266 -2.971 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.978 -2.860 -2.177 1.00 0.00 H new ATOM 199 N GLN A 13 3.690 0.232 -5.020 1.00 0.00 N ATOM 200 CA GLN A 13 4.940 1.039 -4.890 1.00 0.00 C ATOM 201 C GLN A 13 4.852 2.304 -5.749 1.00 0.00 C ATOM 202 O GLN A 13 5.594 3.245 -5.550 1.00 0.00 O ATOM 203 CB GLN A 13 6.145 0.195 -5.318 1.00 0.00 C ATOM 204 CG GLN A 13 6.401 0.362 -6.818 1.00 0.00 C ATOM 205 CD GLN A 13 7.514 -0.595 -7.247 1.00 0.00 C ATOM 206 OE1 GLN A 13 8.291 -1.120 -6.339 1.00 0.00 O flip ATOM 207 NE2 GLN A 13 7.680 -0.868 -8.419 1.00 0.00 N flip ATOM 0 H GLN A 13 3.814 -0.699 -5.418 1.00 0.00 H new ATOM 0 HA GLN A 13 5.061 1.337 -3.849 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.028 0.497 -4.755 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.963 -0.855 -5.087 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.490 0.155 -7.380 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.685 1.391 -7.038 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.073 -0.458 -9.129 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.426 -1.507 -8.693 1.00 0.00 H new ATOM 216 N GLU A 14 3.949 2.352 -6.688 1.00 0.00 N ATOM 217 CA GLU A 14 3.826 3.576 -7.527 1.00 0.00 C ATOM 218 C GLU A 14 2.737 4.455 -6.928 1.00 0.00 C ATOM 219 O GLU A 14 2.809 5.667 -6.951 1.00 0.00 O ATOM 220 CB GLU A 14 3.440 3.191 -8.951 1.00 0.00 C ATOM 221 CG GLU A 14 4.647 2.569 -9.657 1.00 0.00 C ATOM 222 CD GLU A 14 4.241 2.122 -11.061 1.00 0.00 C ATOM 223 OE1 GLU A 14 4.035 2.983 -11.900 1.00 0.00 O ATOM 224 OE2 GLU A 14 4.142 0.924 -11.275 1.00 0.00 O ATOM 0 H GLU A 14 3.295 1.602 -6.910 1.00 0.00 H new ATOM 0 HA GLU A 14 4.776 4.109 -7.552 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.610 2.484 -8.936 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.099 4.071 -9.497 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.460 3.292 -9.715 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.017 1.718 -9.086 1.00 0.00 H new ATOM 231 N VAL A 15 1.734 3.836 -6.378 1.00 0.00 N ATOM 232 CA VAL A 15 0.631 4.603 -5.754 1.00 0.00 C ATOM 233 C VAL A 15 1.201 5.381 -4.571 1.00 0.00 C ATOM 234 O VAL A 15 0.677 6.398 -4.164 1.00 0.00 O ATOM 235 CB VAL A 15 -0.455 3.617 -5.295 1.00 0.00 C ATOM 236 CG1 VAL A 15 -0.524 3.553 -3.766 1.00 0.00 C ATOM 237 CG2 VAL A 15 -1.805 4.064 -5.851 1.00 0.00 C ATOM 0 H VAL A 15 1.632 2.822 -6.335 1.00 0.00 H new ATOM 0 HA VAL A 15 0.186 5.305 -6.459 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.207 2.623 -5.668 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.300 2.849 -3.466 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.437 3.224 -3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.759 4.541 -3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.580 3.368 -5.529 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.038 5.063 -5.482 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.763 4.081 -6.940 1.00 0.00 H new ATOM 247 N LEU A 16 2.288 4.908 -4.026 1.00 0.00 N ATOM 248 CA LEU A 16 2.915 5.612 -2.880 1.00 0.00 C ATOM 249 C LEU A 16 3.940 6.614 -3.421 1.00 0.00 C ATOM 250 O LEU A 16 4.338 7.538 -2.741 1.00 0.00 O ATOM 251 CB LEU A 16 3.593 4.585 -1.959 1.00 0.00 C ATOM 252 CG LEU A 16 5.112 4.585 -2.172 1.00 0.00 C ATOM 253 CD1 LEU A 16 5.729 5.800 -1.471 1.00 0.00 C ATOM 254 CD2 LEU A 16 5.706 3.301 -1.584 1.00 0.00 C ATOM 0 H LEU A 16 2.768 4.061 -4.329 1.00 0.00 H new ATOM 0 HA LEU A 16 2.161 6.148 -2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.367 4.817 -0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.193 3.591 -2.158 1.00 0.00 H new ATOM 0 HG LEU A 16 5.330 4.634 -3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.808 5.799 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.305 6.714 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.513 5.753 -0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.786 3.298 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.487 3.254 -0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.268 2.436 -2.082 1.00 0.00 H new ATOM 266 N LYS A 17 4.365 6.443 -4.649 1.00 0.00 N ATOM 267 CA LYS A 17 5.356 7.396 -5.225 1.00 0.00 C ATOM 268 C LYS A 17 4.643 8.697 -5.596 1.00 0.00 C ATOM 269 O LYS A 17 4.990 9.761 -5.125 1.00 0.00 O ATOM 270 CB LYS A 17 5.995 6.784 -6.475 1.00 0.00 C ATOM 271 CG LYS A 17 7.209 5.947 -6.069 1.00 0.00 C ATOM 272 CD LYS A 17 7.792 5.255 -7.304 1.00 0.00 C ATOM 273 CE LYS A 17 8.933 6.100 -7.873 1.00 0.00 C ATOM 274 NZ LYS A 17 10.039 6.178 -6.878 1.00 0.00 N ATOM 0 H LYS A 17 4.070 5.690 -5.271 1.00 0.00 H new ATOM 0 HA LYS A 17 6.135 7.601 -4.491 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.270 6.162 -7.000 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.297 7.572 -7.165 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.963 6.583 -5.606 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.919 5.204 -5.326 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.157 4.263 -7.039 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.016 5.118 -8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.296 5.661 -8.802 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.574 7.101 -8.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.953 6.190 -7.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.939 7.047 -6.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.998 5.351 -6.248 1.00 0.00 H new ATOM 288 N HIS A 18 3.641 8.620 -6.429 1.00 0.00 N ATOM 289 CA HIS A 18 2.900 9.852 -6.818 1.00 0.00 C ATOM 290 C HIS A 18 2.379 10.539 -5.556 1.00 0.00 C ATOM 291 O HIS A 18 1.913 11.660 -5.591 1.00 0.00 O ATOM 292 CB HIS A 18 1.721 9.476 -7.714 1.00 0.00 C ATOM 293 CG HIS A 18 2.053 9.785 -9.147 1.00 0.00 C ATOM 294 ND1 HIS A 18 2.886 10.836 -9.505 1.00 0.00 N ATOM 295 CD2 HIS A 18 1.671 9.190 -10.325 1.00 0.00 C ATOM 296 CE1 HIS A 18 2.976 10.843 -10.849 1.00 0.00 C ATOM 297 NE2 HIS A 18 2.255 9.860 -11.393 1.00 0.00 N ATOM 0 H HIS A 18 3.304 7.757 -6.856 1.00 0.00 H new ATOM 0 HA HIS A 18 3.564 10.526 -7.359 1.00 0.00 H new ATOM 0 HB2 HIS A 18 1.492 8.416 -7.604 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.831 10.027 -7.410 1.00 0.00 H new ATOM 0 HD2 HIS A 18 1.018 8.334 -10.408 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.558 11.555 -11.415 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.154 9.646 -12.385 1.00 0.00 H new ATOM 306 N VAL A 19 2.453 9.867 -4.439 1.00 0.00 N ATOM 307 CA VAL A 19 1.962 10.466 -3.167 1.00 0.00 C ATOM 308 C VAL A 19 3.080 11.296 -2.528 1.00 0.00 C ATOM 309 O VAL A 19 2.914 12.466 -2.249 1.00 0.00 O ATOM 310 CB VAL A 19 1.545 9.342 -2.214 1.00 0.00 C ATOM 311 CG1 VAL A 19 1.643 9.825 -0.767 1.00 0.00 C ATOM 312 CG2 VAL A 19 0.103 8.922 -2.514 1.00 0.00 C ATOM 0 H VAL A 19 2.834 8.925 -4.354 1.00 0.00 H new ATOM 0 HA VAL A 19 1.107 11.112 -3.368 1.00 0.00 H new ATOM 0 HB VAL A 19 2.210 8.490 -2.355 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.345 9.021 -0.094 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.670 10.118 -0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.984 10.681 -0.624 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.192 8.122 -1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.560 9.776 -2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.034 8.568 -3.543 1.00 0.00 H new ATOM 322 N ASN A 20 4.217 10.698 -2.295 1.00 0.00 N ATOM 323 CA ASN A 20 5.344 11.452 -1.675 1.00 0.00 C ATOM 324 C ASN A 20 5.563 12.764 -2.433 1.00 0.00 C ATOM 325 O ASN A 20 6.233 13.660 -1.960 1.00 0.00 O ATOM 326 CB ASN A 20 6.617 10.608 -1.742 1.00 0.00 C ATOM 327 CG ASN A 20 6.895 9.990 -0.371 1.00 0.00 C ATOM 328 OD1 ASN A 20 8.121 9.940 0.072 1.00 0.00 O flip ATOM 329 ND2 ASN A 20 5.986 9.546 0.303 1.00 0.00 N flip ATOM 0 H ASN A 20 4.414 9.720 -2.507 1.00 0.00 H new ATOM 0 HA ASN A 20 5.104 11.671 -0.634 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.506 9.823 -2.490 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.460 11.226 -2.051 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.028 9.585 -0.044 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.182 9.134 1.215 1.00 0.00 H new ATOM 336 N GLN A 21 5.003 12.882 -3.605 1.00 0.00 N ATOM 337 CA GLN A 21 5.181 14.136 -4.390 1.00 0.00 C ATOM 338 C GLN A 21 4.018 15.086 -4.104 1.00 0.00 C ATOM 339 O GLN A 21 4.145 16.290 -4.209 1.00 0.00 O ATOM 340 CB GLN A 21 5.208 13.800 -5.883 1.00 0.00 C ATOM 341 CG GLN A 21 5.348 15.089 -6.693 1.00 0.00 C ATOM 342 CD GLN A 21 5.914 14.762 -8.076 1.00 0.00 C ATOM 343 OE1 GLN A 21 7.090 14.943 -8.322 1.00 0.00 O ATOM 344 NE2 GLN A 21 5.122 14.285 -8.996 1.00 0.00 N ATOM 0 H GLN A 21 4.431 12.166 -4.053 1.00 0.00 H new ATOM 0 HA GLN A 21 6.119 14.614 -4.106 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.039 13.129 -6.101 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.294 13.278 -6.166 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.378 15.577 -6.791 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.005 15.787 -6.175 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.135 14.133 -8.790 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.490 14.064 -9.921 1.00 0.00 H new ATOM 353 N HIS A 22 2.883 14.553 -3.743 1.00 0.00 N ATOM 354 CA HIS A 22 1.709 15.422 -3.450 1.00 0.00 C ATOM 355 C HIS A 22 1.389 15.359 -1.956 1.00 0.00 C ATOM 356 O HIS A 22 0.285 15.644 -1.537 1.00 0.00 O ATOM 357 CB HIS A 22 0.500 14.929 -4.248 1.00 0.00 C ATOM 358 CG HIS A 22 0.920 14.638 -5.662 1.00 0.00 C ATOM 359 ND1 HIS A 22 0.663 13.576 -6.495 1.00 0.00 N flip ATOM 360 CD2 HIS A 22 1.717 15.509 -6.392 1.00 0.00 C flip ATOM 361 CE1 HIS A 22 1.291 13.784 -7.716 1.00 0.00 C flip ATOM 362 NE2 HIS A 22 1.912 14.960 -7.605 1.00 0.00 N flip ATOM 0 H HIS A 22 2.718 13.552 -3.638 1.00 0.00 H new ATOM 0 HA HIS A 22 1.938 16.450 -3.731 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.088 14.031 -3.787 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -0.288 15.682 -4.239 1.00 0.00 H new ATOM 0 HD1 HIS A 22 0.099 12.761 -6.254 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.109 16.455 -6.049 1.00 0.00 H new ATOM 0 HE1 HIS A 22 1.279 13.131 -8.576 1.00 0.00 H new ATOM 371 N TRP A 23 2.344 14.987 -1.147 1.00 0.00 N ATOM 372 CA TRP A 23 2.082 14.910 0.316 1.00 0.00 C ATOM 373 C TRP A 23 2.054 16.313 0.906 1.00 0.00 C ATOM 374 O TRP A 23 2.735 17.208 0.447 1.00 0.00 O ATOM 375 CB TRP A 23 3.183 14.109 1.004 1.00 0.00 C ATOM 376 CG TRP A 23 2.729 13.729 2.377 1.00 0.00 C ATOM 377 CD1 TRP A 23 2.584 14.578 3.420 1.00 0.00 C ATOM 378 CD2 TRP A 23 2.360 12.415 2.869 1.00 0.00 C ATOM 379 NE1 TRP A 23 2.150 13.858 4.521 1.00 0.00 N ATOM 380 CE2 TRP A 23 2.001 12.521 4.230 1.00 0.00 C ATOM 381 CE3 TRP A 23 2.308 11.157 2.266 1.00 0.00 C ATOM 382 CZ2 TRP A 23 1.602 11.408 4.969 1.00 0.00 C ATOM 383 CZ3 TRP A 23 1.909 10.030 3.001 1.00 0.00 C ATOM 384 CH2 TRP A 23 1.556 10.156 4.352 1.00 0.00 C ATOM 0 H TRP A 23 3.289 14.735 -1.435 1.00 0.00 H new ATOM 0 HA TRP A 23 1.121 14.420 0.474 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.416 13.216 0.425 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.098 14.699 1.061 1.00 0.00 H new ATOM 0 HD1 TRP A 23 2.775 15.641 3.398 1.00 0.00 H new ATOM 0 HE1 TRP A 23 1.964 14.269 5.436 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.577 11.050 1.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 1.331 11.513 6.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.874 9.062 2.524 1.00 0.00 H new ATOM 0 HH2 TRP A 23 1.249 9.287 4.914 1.00 0.00 H new ATOM 395 N GLN A 24 1.276 16.509 1.929 1.00 0.00 N ATOM 396 CA GLN A 24 1.210 17.858 2.560 1.00 0.00 C ATOM 397 C GLN A 24 0.825 17.725 4.033 1.00 0.00 C ATOM 398 O GLN A 24 0.972 16.679 4.633 1.00 0.00 O ATOM 399 CB GLN A 24 0.178 18.719 1.828 1.00 0.00 C ATOM 400 CG GLN A 24 0.901 19.800 1.021 1.00 0.00 C ATOM 401 CD GLN A 24 -0.076 20.450 0.041 1.00 0.00 C ATOM 402 OE1 GLN A 24 -1.275 20.354 0.207 1.00 0.00 O ATOM 403 NE2 GLN A 24 0.391 21.112 -0.984 1.00 0.00 N ATOM 0 H GLN A 24 0.683 15.798 2.357 1.00 0.00 H new ATOM 0 HA GLN A 24 2.188 18.334 2.491 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.426 18.098 1.166 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.503 19.178 2.544 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.314 20.553 1.692 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.739 19.363 0.478 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.398 21.192 -1.123 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.252 21.548 -1.645 1.00 0.00 H new ATOM 412 N GLY A 25 0.332 18.782 4.622 1.00 0.00 N ATOM 413 CA GLY A 25 -0.064 18.722 6.058 1.00 0.00 C ATOM 414 C GLY A 25 1.144 18.317 6.902 1.00 0.00 C ATOM 415 O GLY A 25 1.885 19.151 7.382 1.00 0.00 O ATOM 0 H GLY A 25 0.187 19.685 4.170 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.440 19.692 6.384 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.873 18.004 6.194 1.00 0.00 H new ATOM 419 N GLY A 26 1.350 17.042 7.087 1.00 0.00 N ATOM 420 CA GLY A 26 2.512 16.587 7.901 1.00 0.00 C ATOM 421 C GLY A 26 3.544 15.923 6.988 1.00 0.00 C ATOM 422 O GLY A 26 3.456 14.750 6.687 1.00 0.00 O ATOM 0 H GLY A 26 0.765 16.297 6.710 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.961 17.434 8.419 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.181 15.884 8.666 1.00 0.00 H new ATOM 426 N GLN A 27 4.523 16.664 6.544 1.00 0.00 N ATOM 427 CA GLN A 27 5.557 16.070 5.650 1.00 0.00 C ATOM 428 C GLN A 27 6.470 15.148 6.461 1.00 0.00 C ATOM 429 O GLN A 27 7.394 14.559 5.938 1.00 0.00 O ATOM 430 CB GLN A 27 6.393 17.185 5.018 1.00 0.00 C ATOM 431 CG GLN A 27 7.379 16.575 4.020 1.00 0.00 C ATOM 432 CD GLN A 27 7.790 17.632 2.994 1.00 0.00 C ATOM 433 OE1 GLN A 27 8.679 18.423 3.243 1.00 0.00 O ATOM 434 NE2 GLN A 27 7.179 17.680 1.842 1.00 0.00 N ATOM 0 H GLN A 27 4.651 17.652 6.761 1.00 0.00 H new ATOM 0 HA GLN A 27 5.065 15.496 4.865 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.744 17.901 4.514 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.932 17.733 5.791 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.258 16.201 4.544 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.922 15.723 3.516 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.433 17.017 1.632 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.447 18.381 1.151 1.00 0.00 H new ATOM 443 N LYS A 28 6.218 15.015 7.734 1.00 0.00 N ATOM 444 CA LYS A 28 7.072 14.126 8.569 1.00 0.00 C ATOM 445 C LYS A 28 6.507 12.707 8.525 1.00 0.00 C ATOM 446 O LYS A 28 7.238 11.736 8.527 1.00 0.00 O ATOM 447 CB LYS A 28 7.080 14.631 10.014 1.00 0.00 C ATOM 448 CG LYS A 28 5.673 14.526 10.602 1.00 0.00 C ATOM 449 CD LYS A 28 5.679 15.054 12.037 1.00 0.00 C ATOM 450 CE LYS A 28 4.571 14.370 12.839 1.00 0.00 C ATOM 451 NZ LYS A 28 4.964 12.962 13.128 1.00 0.00 N ATOM 0 H LYS A 28 5.460 15.482 8.231 1.00 0.00 H new ATOM 0 HA LYS A 28 8.092 14.128 8.184 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.779 14.045 10.611 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.422 15.665 10.046 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.970 15.098 9.996 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.337 13.489 10.586 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.647 14.865 12.501 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.530 16.134 12.039 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.396 14.909 13.770 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.636 14.390 12.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.470 12.632 13.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.706 12.357 12.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.991 12.913 13.282 1.00 0.00 H new ATOM 465 N ASN A 29 5.210 12.578 8.476 1.00 0.00 N ATOM 466 CA ASN A 29 4.599 11.223 8.422 1.00 0.00 C ATOM 467 C ASN A 29 4.829 10.625 7.033 1.00 0.00 C ATOM 468 O ASN A 29 4.754 9.429 6.840 1.00 0.00 O ATOM 469 CB ASN A 29 3.098 11.330 8.695 1.00 0.00 C ATOM 470 CG ASN A 29 2.857 12.298 9.855 1.00 0.00 C ATOM 471 OD1 ASN A 29 3.286 13.434 9.814 1.00 0.00 O ATOM 472 ND2 ASN A 29 2.184 11.893 10.898 1.00 0.00 N ATOM 0 H ASN A 29 4.548 13.354 8.471 1.00 0.00 H new ATOM 0 HA ASN A 29 5.056 10.582 9.176 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.579 11.680 7.802 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.691 10.348 8.936 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.019 12.530 11.677 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.823 10.940 10.933 1.00 0.00 H new ATOM 479 N MET A 30 5.113 11.453 6.064 1.00 0.00 N ATOM 480 CA MET A 30 5.353 10.938 4.687 1.00 0.00 C ATOM 481 C MET A 30 6.549 9.986 4.705 1.00 0.00 C ATOM 482 O MET A 30 6.613 9.037 3.949 1.00 0.00 O ATOM 483 CB MET A 30 5.650 12.111 3.752 1.00 0.00 C ATOM 484 CG MET A 30 7.132 12.475 3.845 1.00 0.00 C ATOM 485 SD MET A 30 8.099 11.333 2.826 1.00 0.00 S ATOM 486 CE MET A 30 8.826 12.572 1.727 1.00 0.00 C ATOM 0 H MET A 30 5.189 12.465 6.168 1.00 0.00 H new ATOM 0 HA MET A 30 4.469 10.407 4.335 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.393 11.846 2.726 1.00 0.00 H new ATOM 0 HB3 MET A 30 5.036 12.970 4.023 1.00 0.00 H new ATOM 0 HG2 MET A 30 7.287 13.500 3.509 1.00 0.00 H new ATOM 0 HG3 MET A 30 7.465 12.426 4.882 1.00 0.00 H new ATOM 0 HE1 MET A 30 9.474 12.080 1.001 1.00 0.00 H new ATOM 0 HE2 MET A 30 8.032 13.104 1.203 1.00 0.00 H new ATOM 0 HE3 MET A 30 9.411 13.280 2.314 1.00 0.00 H new ATOM 496 N ASN A 31 7.497 10.230 5.567 1.00 0.00 N ATOM 497 CA ASN A 31 8.687 9.339 5.639 1.00 0.00 C ATOM 498 C ASN A 31 8.338 8.104 6.469 1.00 0.00 C ATOM 499 O ASN A 31 8.613 6.985 6.082 1.00 0.00 O ATOM 500 CB ASN A 31 9.848 10.087 6.295 1.00 0.00 C ATOM 501 CG ASN A 31 9.960 11.486 5.686 1.00 0.00 C ATOM 502 OD1 ASN A 31 10.274 11.612 4.426 1.00 0.00 O flip ATOM 503 ND2 ASN A 31 9.761 12.474 6.364 1.00 0.00 N flip ATOM 0 H ASN A 31 7.498 11.009 6.225 1.00 0.00 H new ATOM 0 HA ASN A 31 8.979 9.035 4.634 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.687 10.158 7.371 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.778 9.538 6.147 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.515 12.376 7.349 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.839 13.402 5.948 1.00 0.00 H new ATOM 510 N LYS A 32 7.729 8.296 7.606 1.00 0.00 N ATOM 511 CA LYS A 32 7.358 7.132 8.455 1.00 0.00 C ATOM 512 C LYS A 32 6.512 6.160 7.633 1.00 0.00 C ATOM 513 O LYS A 32 6.782 4.976 7.583 1.00 0.00 O ATOM 514 CB LYS A 32 6.560 7.617 9.666 1.00 0.00 C ATOM 515 CG LYS A 32 7.524 8.141 10.733 1.00 0.00 C ATOM 516 CD LYS A 32 7.744 7.063 11.797 1.00 0.00 C ATOM 517 CE LYS A 32 6.715 7.236 12.915 1.00 0.00 C ATOM 518 NZ LYS A 32 5.349 7.314 12.323 1.00 0.00 N ATOM 0 H LYS A 32 7.473 9.208 7.983 1.00 0.00 H new ATOM 0 HA LYS A 32 8.259 6.626 8.801 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.868 8.404 9.368 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.960 6.802 10.071 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.475 8.415 10.276 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.119 9.043 11.192 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.651 6.072 11.352 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.753 7.137 12.202 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.774 6.400 13.611 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.929 8.141 13.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.642 7.346 13.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.271 8.173 11.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.180 6.477 11.729 1.00 0.00 H new ATOM 532 N VAL A 33 5.494 6.649 6.976 1.00 0.00 N ATOM 533 CA VAL A 33 4.646 5.747 6.148 1.00 0.00 C ATOM 534 C VAL A 33 5.523 5.091 5.081 1.00 0.00 C ATOM 535 O VAL A 33 5.461 3.899 4.858 1.00 0.00 O ATOM 536 CB VAL A 33 3.536 6.555 5.472 1.00 0.00 C ATOM 537 CG1 VAL A 33 2.611 7.150 6.535 1.00 0.00 C ATOM 538 CG2 VAL A 33 4.157 7.686 4.652 1.00 0.00 C ATOM 0 H VAL A 33 5.215 7.630 6.977 1.00 0.00 H new ATOM 0 HA VAL A 33 4.193 4.983 6.781 1.00 0.00 H new ATOM 0 HB VAL A 33 2.961 5.900 4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.822 7.725 6.050 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.166 6.346 7.122 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.185 7.804 7.192 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.367 8.262 4.170 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.733 8.338 5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.815 7.265 3.891 1.00 0.00 H new ATOM 548 N ASP A 34 6.351 5.863 4.430 1.00 0.00 N ATOM 549 CA ASP A 34 7.244 5.286 3.389 1.00 0.00 C ATOM 550 C ASP A 34 7.942 4.057 3.969 1.00 0.00 C ATOM 551 O ASP A 34 8.295 3.134 3.261 1.00 0.00 O ATOM 552 CB ASP A 34 8.288 6.326 2.976 1.00 0.00 C ATOM 553 CG ASP A 34 9.377 5.655 2.136 1.00 0.00 C ATOM 554 OD1 ASP A 34 10.254 5.041 2.720 1.00 0.00 O ATOM 555 OD2 ASP A 34 9.315 5.766 0.922 1.00 0.00 O ATOM 0 H ASP A 34 6.446 6.868 4.575 1.00 0.00 H new ATOM 0 HA ASP A 34 6.661 5.002 2.513 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.814 7.124 2.405 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.728 6.785 3.861 1.00 0.00 H new ATOM 560 N HIS A 35 8.136 4.038 5.258 1.00 0.00 N ATOM 561 CA HIS A 35 8.799 2.871 5.900 1.00 0.00 C ATOM 562 C HIS A 35 7.754 1.783 6.149 1.00 0.00 C ATOM 563 O HIS A 35 8.061 0.610 6.208 1.00 0.00 O ATOM 564 CB HIS A 35 9.414 3.303 7.232 1.00 0.00 C ATOM 565 CG HIS A 35 10.518 2.354 7.611 1.00 0.00 C ATOM 566 ND1 HIS A 35 11.362 2.595 8.686 1.00 0.00 N ATOM 567 CD2 HIS A 35 10.929 1.161 7.070 1.00 0.00 C ATOM 568 CE1 HIS A 35 12.230 1.567 8.758 1.00 0.00 C ATOM 569 NE2 HIS A 35 12.007 0.669 7.798 1.00 0.00 N ATOM 0 H HIS A 35 7.862 4.785 5.897 1.00 0.00 H new ATOM 0 HA HIS A 35 9.585 2.487 5.249 1.00 0.00 H new ATOM 0 HB2 HIS A 35 9.805 4.317 7.151 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.650 3.317 8.009 1.00 0.00 H new ATOM 0 HD2 HIS A 35 10.484 0.679 6.212 1.00 0.00 H new ATOM 0 HE1 HIS A 35 13.009 1.481 9.501 1.00 0.00 H new ATOM 0 HE2 HIS A 35 12.520 -0.197 7.632 1.00 0.00 H new ATOM 578 N HIS A 36 6.515 2.170 6.292 1.00 0.00 N ATOM 579 CA HIS A 36 5.440 1.168 6.532 1.00 0.00 C ATOM 580 C HIS A 36 5.210 0.360 5.254 1.00 0.00 C ATOM 581 O HIS A 36 5.212 -0.854 5.266 1.00 0.00 O ATOM 582 CB HIS A 36 4.148 1.894 6.918 1.00 0.00 C ATOM 583 CG HIS A 36 4.161 2.191 8.392 1.00 0.00 C ATOM 584 ND1 HIS A 36 3.686 1.289 9.335 1.00 0.00 N ATOM 585 CD2 HIS A 36 4.589 3.286 9.104 1.00 0.00 C ATOM 586 CE1 HIS A 36 3.839 1.851 10.548 1.00 0.00 C ATOM 587 NE2 HIS A 36 4.384 3.066 10.462 1.00 0.00 N ATOM 0 H HIS A 36 6.201 3.140 6.253 1.00 0.00 H new ATOM 0 HA HIS A 36 5.735 0.497 7.339 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.055 2.820 6.350 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.284 1.279 6.668 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.018 4.179 8.675 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.556 1.377 11.476 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.604 3.700 11.230 1.00 0.00 H new ATOM 596 N LEU A 37 5.018 1.029 4.150 1.00 0.00 N ATOM 597 CA LEU A 37 4.791 0.306 2.866 1.00 0.00 C ATOM 598 C LEU A 37 6.080 -0.408 2.451 1.00 0.00 C ATOM 599 O LEU A 37 6.064 -1.558 2.059 1.00 0.00 O ATOM 600 CB LEU A 37 4.395 1.312 1.782 1.00 0.00 C ATOM 601 CG LEU A 37 2.873 1.468 1.738 1.00 0.00 C ATOM 602 CD1 LEU A 37 2.513 2.950 1.731 1.00 0.00 C ATOM 603 CD2 LEU A 37 2.332 0.816 0.466 1.00 0.00 C ATOM 0 H LEU A 37 5.008 2.047 4.082 1.00 0.00 H new ATOM 0 HA LEU A 37 3.994 -0.426 2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.861 2.277 1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.762 0.976 0.812 1.00 0.00 H new ATOM 0 HG LEU A 37 2.435 0.988 2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.429 3.061 1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.900 3.423 2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.952 3.427 0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.248 0.926 0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.772 1.299 -0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.589 -0.243 0.462 1.00 0.00 H new ATOM 615 N GLN A 38 7.195 0.262 2.535 1.00 0.00 N ATOM 616 CA GLN A 38 8.480 -0.384 2.146 1.00 0.00 C ATOM 617 C GLN A 38 8.486 -1.829 2.645 1.00 0.00 C ATOM 618 O GLN A 38 9.021 -2.715 2.007 1.00 0.00 O ATOM 619 CB GLN A 38 9.647 0.374 2.780 1.00 0.00 C ATOM 620 CG GLN A 38 10.196 1.402 1.788 1.00 0.00 C ATOM 621 CD GLN A 38 11.357 2.157 2.436 1.00 0.00 C ATOM 622 OE1 GLN A 38 11.467 2.166 3.737 1.00 0.00 O flip ATOM 623 NE2 GLN A 38 12.172 2.745 1.753 1.00 0.00 N flip ATOM 0 H GLN A 38 7.273 1.227 2.856 1.00 0.00 H new ATOM 0 HA GLN A 38 8.583 -0.367 1.061 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.316 0.874 3.690 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.433 -0.324 3.067 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.533 0.904 0.879 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.411 2.099 1.497 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.086 2.738 0.737 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.942 3.246 2.196 1.00 0.00 H new ATOM 632 N ASN A 39 7.896 -2.073 3.783 1.00 0.00 N ATOM 633 CA ASN A 39 7.869 -3.459 4.325 1.00 0.00 C ATOM 634 C ASN A 39 6.752 -4.255 3.644 1.00 0.00 C ATOM 635 O ASN A 39 6.901 -5.425 3.355 1.00 0.00 O ATOM 636 CB ASN A 39 7.617 -3.412 5.836 1.00 0.00 C ATOM 637 CG ASN A 39 8.789 -4.064 6.572 1.00 0.00 C ATOM 638 OD1 ASN A 39 9.909 -4.039 6.099 1.00 0.00 O ATOM 639 ND2 ASN A 39 8.579 -4.652 7.718 1.00 0.00 N ATOM 0 H ASN A 39 7.432 -1.372 4.360 1.00 0.00 H new ATOM 0 HA ASN A 39 8.827 -3.942 4.131 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.498 -2.379 6.163 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.689 -3.931 6.077 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.354 -5.090 8.216 1.00 0.00 H new ATOM 0 HD22 ASN A 39 7.640 -4.674 8.116 1.00 0.00 H new ATOM 646 N VAL A 40 5.635 -3.632 3.382 1.00 0.00 N ATOM 647 CA VAL A 40 4.520 -4.365 2.718 1.00 0.00 C ATOM 648 C VAL A 40 4.901 -4.658 1.266 1.00 0.00 C ATOM 649 O VAL A 40 4.941 -5.797 0.844 1.00 0.00 O ATOM 650 CB VAL A 40 3.247 -3.517 2.752 1.00 0.00 C ATOM 651 CG1 VAL A 40 2.065 -4.358 2.262 1.00 0.00 C ATOM 652 CG2 VAL A 40 2.982 -3.057 4.186 1.00 0.00 C ATOM 0 H VAL A 40 5.447 -2.653 3.598 1.00 0.00 H new ATOM 0 HA VAL A 40 4.339 -5.301 3.246 1.00 0.00 H new ATOM 0 HB VAL A 40 3.370 -2.647 2.107 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.156 -3.757 2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.254 -4.691 1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.942 -5.226 2.910 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.075 -2.453 4.213 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.857 -3.927 4.830 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.825 -2.463 4.539 1.00 0.00 H new ATOM 662 N ILE A 41 5.189 -3.642 0.496 1.00 0.00 N ATOM 663 CA ILE A 41 5.573 -3.880 -0.923 1.00 0.00 C ATOM 664 C ILE A 41 6.522 -5.075 -0.986 1.00 0.00 C ATOM 665 O ILE A 41 6.493 -5.857 -1.914 1.00 0.00 O ATOM 666 CB ILE A 41 6.273 -2.642 -1.487 1.00 0.00 C ATOM 667 CG1 ILE A 41 5.578 -1.381 -0.959 1.00 0.00 C ATOM 668 CG2 ILE A 41 6.203 -2.678 -3.016 1.00 0.00 C ATOM 669 CD1 ILE A 41 5.565 -0.297 -2.042 1.00 0.00 C ATOM 0 H ILE A 41 5.175 -2.665 0.787 1.00 0.00 H new ATOM 0 HA ILE A 41 4.680 -4.083 -1.514 1.00 0.00 H new ATOM 0 HB ILE A 41 7.317 -2.631 -1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.558 -1.617 -0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.096 -1.015 -0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.700 -1.798 -3.424 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.699 -3.577 -3.382 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.160 -2.685 -3.332 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.070 0.595 -1.658 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.589 -0.051 -2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.027 -0.663 -2.917 1.00 0.00 H new ATOM 681 N GLU A 42 7.356 -5.226 0.006 1.00 0.00 N ATOM 682 CA GLU A 42 8.299 -6.375 0.015 1.00 0.00 C ATOM 683 C GLU A 42 7.500 -7.667 0.181 1.00 0.00 C ATOM 684 O GLU A 42 7.858 -8.704 -0.341 1.00 0.00 O ATOM 685 CB GLU A 42 9.281 -6.222 1.180 1.00 0.00 C ATOM 686 CG GLU A 42 10.696 -6.550 0.703 1.00 0.00 C ATOM 687 CD GLU A 42 11.289 -5.334 -0.012 1.00 0.00 C ATOM 688 OE1 GLU A 42 10.897 -5.085 -1.139 1.00 0.00 O ATOM 689 OE2 GLU A 42 12.125 -4.672 0.581 1.00 0.00 O ATOM 0 H GLU A 42 7.424 -4.602 0.810 1.00 0.00 H new ATOM 0 HA GLU A 42 8.858 -6.405 -0.920 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.244 -5.204 1.569 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.998 -6.886 1.997 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.322 -6.827 1.551 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.675 -7.407 0.029 1.00 0.00 H new ATOM 696 N ASP A 43 6.411 -7.607 0.898 1.00 0.00 N ATOM 697 CA ASP A 43 5.580 -8.827 1.090 1.00 0.00 C ATOM 698 C ASP A 43 5.025 -9.272 -0.262 1.00 0.00 C ATOM 699 O ASP A 43 5.270 -10.373 -0.712 1.00 0.00 O ATOM 700 CB ASP A 43 4.424 -8.509 2.038 1.00 0.00 C ATOM 701 CG ASP A 43 3.727 -9.808 2.447 1.00 0.00 C ATOM 702 OD1 ASP A 43 3.346 -10.557 1.562 1.00 0.00 O ATOM 703 OD2 ASP A 43 3.589 -10.033 3.638 1.00 0.00 O ATOM 0 H ASP A 43 6.062 -6.766 1.358 1.00 0.00 H new ATOM 0 HA ASP A 43 6.188 -9.625 1.517 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.796 -7.990 2.921 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.714 -7.841 1.551 1.00 0.00 H new ATOM 708 N ILE A 44 4.285 -8.418 -0.919 1.00 0.00 N ATOM 709 CA ILE A 44 3.725 -8.792 -2.247 1.00 0.00 C ATOM 710 C ILE A 44 4.815 -9.470 -3.071 1.00 0.00 C ATOM 711 O ILE A 44 4.643 -10.564 -3.571 1.00 0.00 O ATOM 712 CB ILE A 44 3.254 -7.537 -2.978 1.00 0.00 C ATOM 713 CG1 ILE A 44 2.026 -6.965 -2.274 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.891 -7.899 -4.419 1.00 0.00 C ATOM 715 CD1 ILE A 44 2.010 -5.444 -2.435 1.00 0.00 C ATOM 0 H ILE A 44 4.046 -7.481 -0.593 1.00 0.00 H new ATOM 0 HA ILE A 44 2.882 -9.469 -2.110 1.00 0.00 H new ATOM 0 HB ILE A 44 4.051 -6.793 -2.976 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.118 -7.396 -2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.043 -7.230 -1.217 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.554 -7.006 -4.945 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.767 -8.308 -4.923 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.093 -8.642 -4.418 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.134 -5.034 -1.933 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.912 -5.022 -1.993 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.973 -5.191 -3.494 1.00 0.00 H new ATOM 727 N HIS A 45 5.943 -8.831 -3.210 1.00 0.00 N ATOM 728 CA HIS A 45 7.049 -9.442 -3.990 1.00 0.00 C ATOM 729 C HIS A 45 7.284 -10.856 -3.463 1.00 0.00 C ATOM 730 O HIS A 45 7.620 -11.761 -4.200 1.00 0.00 O ATOM 731 CB HIS A 45 8.322 -8.613 -3.807 1.00 0.00 C ATOM 732 CG HIS A 45 9.019 -8.466 -5.130 1.00 0.00 C ATOM 733 ND1 HIS A 45 9.034 -9.482 -6.075 1.00 0.00 N ATOM 734 CD2 HIS A 45 9.731 -7.428 -5.682 1.00 0.00 C ATOM 735 CE1 HIS A 45 9.733 -9.038 -7.136 1.00 0.00 C ATOM 736 NE2 HIS A 45 10.177 -7.794 -6.946 1.00 0.00 N ATOM 0 H HIS A 45 6.145 -7.912 -2.816 1.00 0.00 H new ATOM 0 HA HIS A 45 6.791 -9.471 -5.049 1.00 0.00 H new ATOM 0 HB2 HIS A 45 8.074 -7.631 -3.403 1.00 0.00 H new ATOM 0 HB3 HIS A 45 8.983 -9.096 -3.087 1.00 0.00 H new ATOM 0 HD1 HIS A 45 8.595 -10.398 -5.982 1.00 0.00 H new ATOM 0 HD2 HIS A 45 9.915 -6.476 -5.207 1.00 0.00 H new ATOM 0 HE1 HIS A 45 9.912 -9.617 -8.030 1.00 0.00 H new ATOM 745 N ASP A 46 7.100 -11.046 -2.186 1.00 0.00 N ATOM 746 CA ASP A 46 7.302 -12.396 -1.591 1.00 0.00 C ATOM 747 C ASP A 46 6.014 -13.212 -1.728 1.00 0.00 C ATOM 748 O ASP A 46 5.944 -14.351 -1.310 1.00 0.00 O ATOM 749 CB ASP A 46 7.653 -12.246 -0.109 1.00 0.00 C ATOM 750 CG ASP A 46 9.171 -12.139 0.048 1.00 0.00 C ATOM 751 OD1 ASP A 46 9.873 -12.794 -0.705 1.00 0.00 O ATOM 752 OD2 ASP A 46 9.605 -11.403 0.919 1.00 0.00 O ATOM 0 H ASP A 46 6.817 -10.321 -1.527 1.00 0.00 H new ATOM 0 HA ASP A 46 8.112 -12.907 -2.111 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.171 -11.359 0.302 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.278 -13.102 0.453 1.00 0.00 H new ATOM 757 N PHE A 47 4.992 -12.640 -2.307 1.00 0.00 N ATOM 758 CA PHE A 47 3.713 -13.384 -2.465 1.00 0.00 C ATOM 759 C PHE A 47 3.736 -14.143 -3.793 1.00 0.00 C ATOM 760 O PHE A 47 2.925 -15.013 -4.040 1.00 0.00 O ATOM 761 CB PHE A 47 2.552 -12.389 -2.444 1.00 0.00 C ATOM 762 CG PHE A 47 1.243 -13.129 -2.291 1.00 0.00 C ATOM 763 CD1 PHE A 47 0.611 -13.681 -3.412 1.00 0.00 C ATOM 764 CD2 PHE A 47 0.661 -13.262 -1.024 1.00 0.00 C ATOM 765 CE1 PHE A 47 -0.602 -14.365 -3.265 1.00 0.00 C ATOM 766 CE2 PHE A 47 -0.551 -13.946 -0.878 1.00 0.00 C ATOM 767 CZ PHE A 47 -1.183 -14.497 -1.998 1.00 0.00 C ATOM 0 H PHE A 47 4.990 -11.689 -2.677 1.00 0.00 H new ATOM 0 HA PHE A 47 3.587 -14.097 -1.650 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.680 -11.685 -1.622 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.545 -11.806 -3.365 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.059 -13.579 -4.389 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.148 -12.836 -0.159 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.090 -14.791 -4.129 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.999 -14.049 0.099 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.119 -15.024 -1.885 1.00 0.00 H new ATOM 777 N MET A 48 4.671 -13.823 -4.647 1.00 0.00 N ATOM 778 CA MET A 48 4.765 -14.529 -5.956 1.00 0.00 C ATOM 779 C MET A 48 5.729 -15.706 -5.816 1.00 0.00 C ATOM 780 O MET A 48 5.771 -16.593 -6.646 1.00 0.00 O ATOM 781 CB MET A 48 5.291 -13.560 -7.019 1.00 0.00 C ATOM 782 CG MET A 48 6.325 -12.625 -6.387 1.00 0.00 C ATOM 783 SD MET A 48 7.158 -11.681 -7.686 1.00 0.00 S ATOM 784 CE MET A 48 8.658 -12.689 -7.773 1.00 0.00 C ATOM 0 H MET A 48 5.375 -13.101 -4.493 1.00 0.00 H new ATOM 0 HA MET A 48 3.781 -14.892 -6.254 1.00 0.00 H new ATOM 0 HB2 MET A 48 5.741 -14.115 -7.842 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.468 -12.981 -7.438 1.00 0.00 H new ATOM 0 HG2 MET A 48 5.838 -11.947 -5.686 1.00 0.00 H new ATOM 0 HG3 MET A 48 7.054 -13.203 -5.818 1.00 0.00 H new ATOM 0 HE1 MET A 48 9.329 -12.279 -8.528 1.00 0.00 H new ATOM 0 HE2 MET A 48 9.156 -12.684 -6.804 1.00 0.00 H new ATOM 0 HE3 MET A 48 8.394 -13.712 -8.040 1.00 0.00 H new ATOM 794 N GLN A 49 6.502 -15.721 -4.766 1.00 0.00 N ATOM 795 CA GLN A 49 7.465 -16.837 -4.561 1.00 0.00 C ATOM 796 C GLN A 49 6.965 -17.736 -3.431 1.00 0.00 C ATOM 797 O GLN A 49 7.004 -18.946 -3.525 1.00 0.00 O ATOM 798 CB GLN A 49 8.832 -16.268 -4.188 1.00 0.00 C ATOM 799 CG GLN A 49 8.677 -15.278 -3.029 1.00 0.00 C ATOM 800 CD GLN A 49 9.120 -15.942 -1.724 1.00 0.00 C ATOM 801 OE1 GLN A 49 10.160 -16.568 -1.670 1.00 0.00 O ATOM 802 NE2 GLN A 49 8.368 -15.832 -0.662 1.00 0.00 N ATOM 0 H GLN A 49 6.508 -15.006 -4.039 1.00 0.00 H new ATOM 0 HA GLN A 49 7.551 -17.417 -5.480 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.507 -17.075 -3.903 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.277 -15.769 -5.049 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.275 -14.386 -3.217 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.639 -14.954 -2.950 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.495 -15.306 -0.707 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.654 -16.272 0.213 1.00 0.00 H new ATOM 811 N GLY A 50 6.491 -17.154 -2.364 1.00 0.00 N ATOM 812 CA GLY A 50 5.985 -17.979 -1.233 1.00 0.00 C ATOM 813 C GLY A 50 5.062 -19.069 -1.776 1.00 0.00 C ATOM 814 O GLY A 50 4.621 -19.940 -1.054 1.00 0.00 O ATOM 0 H GLY A 50 6.433 -16.145 -2.227 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.819 -18.428 -0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.447 -17.352 -0.522 1.00 0.00 H new ATOM 818 N GLY A 51 4.768 -19.027 -3.048 1.00 0.00 N ATOM 819 CA GLY A 51 3.876 -20.064 -3.640 1.00 0.00 C ATOM 820 C GLY A 51 2.451 -19.878 -3.113 1.00 0.00 C ATOM 821 O GLY A 51 1.506 -20.416 -3.656 1.00 0.00 O ATOM 0 H GLY A 51 5.107 -18.321 -3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.885 -19.988 -4.727 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.241 -21.059 -3.387 1.00 0.00 H new ATOM 825 N GLY A 52 2.287 -19.124 -2.061 1.00 0.00 N ATOM 826 CA GLY A 52 0.920 -18.912 -1.506 1.00 0.00 C ATOM 827 C GLY A 52 1.002 -18.849 0.018 1.00 0.00 C ATOM 828 O GLY A 52 0.670 -19.791 0.708 1.00 0.00 O ATOM 0 H GLY A 52 3.038 -18.647 -1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.494 -17.988 -1.898 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.260 -19.723 -1.814 1.00 0.00 H new ATOM 832 N SER A 53 1.450 -17.746 0.547 1.00 0.00 N ATOM 833 CA SER A 53 1.564 -17.622 2.025 1.00 0.00 C ATOM 834 C SER A 53 0.442 -16.726 2.554 1.00 0.00 C ATOM 835 O SER A 53 0.686 -15.748 3.234 1.00 0.00 O ATOM 836 CB SER A 53 2.919 -17.008 2.373 1.00 0.00 C ATOM 837 OG SER A 53 3.809 -17.188 1.279 1.00 0.00 O ATOM 0 H SER A 53 1.742 -16.924 0.019 1.00 0.00 H new ATOM 0 HA SER A 53 1.480 -18.608 2.483 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.805 -15.947 2.593 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.325 -17.478 3.269 1.00 0.00 H new ATOM 0 HG SER A 53 4.724 -16.987 1.565 1.00 0.00 H new ATOM 843 N GLY A 54 -0.785 -17.051 2.250 1.00 0.00 N ATOM 844 CA GLY A 54 -1.919 -16.218 2.741 1.00 0.00 C ATOM 845 C GLY A 54 -1.725 -15.928 4.230 1.00 0.00 C ATOM 846 O GLY A 54 -2.423 -15.123 4.813 1.00 0.00 O ATOM 0 H GLY A 54 -1.051 -17.856 1.683 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.969 -15.285 2.180 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.864 -16.738 2.580 1.00 0.00 H new ATOM 850 N GLY A 55 -0.776 -16.577 4.848 1.00 0.00 N ATOM 851 CA GLY A 55 -0.532 -16.339 6.297 1.00 0.00 C ATOM 852 C GLY A 55 0.460 -15.189 6.457 1.00 0.00 C ATOM 853 O GLY A 55 0.392 -14.422 7.397 1.00 0.00 O ATOM 0 H GLY A 55 -0.159 -17.262 4.411 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.468 -16.100 6.801 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.139 -17.242 6.765 1.00 0.00 H new ATOM 857 N LYS A 56 1.383 -15.062 5.544 1.00 0.00 N ATOM 858 CA LYS A 56 2.378 -13.959 5.642 1.00 0.00 C ATOM 859 C LYS A 56 1.728 -12.649 5.196 1.00 0.00 C ATOM 860 O LYS A 56 2.071 -11.583 5.668 1.00 0.00 O ATOM 861 CB LYS A 56 3.578 -14.267 4.744 1.00 0.00 C ATOM 862 CG LYS A 56 4.729 -13.321 5.092 1.00 0.00 C ATOM 863 CD LYS A 56 5.882 -13.533 4.108 1.00 0.00 C ATOM 864 CE LYS A 56 6.615 -14.833 4.449 1.00 0.00 C ATOM 865 NZ LYS A 56 6.522 -15.773 3.296 1.00 0.00 N ATOM 0 H LYS A 56 1.491 -15.674 4.735 1.00 0.00 H new ATOM 0 HA LYS A 56 2.716 -13.866 6.674 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.890 -15.303 4.878 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.301 -14.151 3.696 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.388 -12.286 5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.069 -13.505 6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.500 -13.576 3.088 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.573 -12.691 4.155 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.660 -14.624 4.678 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.178 -15.287 5.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.020 -16.656 3.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.523 -15.981 3.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.959 -15.339 2.458 1.00 0.00 H new ATOM 879 N LEU A 57 0.789 -12.719 4.293 1.00 0.00 N ATOM 880 CA LEU A 57 0.114 -11.476 3.821 1.00 0.00 C ATOM 881 C LEU A 57 -0.654 -10.851 4.985 1.00 0.00 C ATOM 882 O LEU A 57 -0.388 -9.739 5.394 1.00 0.00 O ATOM 883 CB LEU A 57 -0.861 -11.818 2.691 1.00 0.00 C ATOM 884 CG LEU A 57 -1.186 -10.550 1.898 1.00 0.00 C ATOM 885 CD1 LEU A 57 -2.234 -10.871 0.832 1.00 0.00 C ATOM 886 CD2 LEU A 57 -1.734 -9.480 2.844 1.00 0.00 C ATOM 0 H LEU A 57 0.460 -13.583 3.861 1.00 0.00 H new ATOM 0 HA LEU A 57 0.860 -10.772 3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.424 -12.569 2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.775 -12.247 3.102 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.279 -10.180 1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.466 -9.968 0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.844 -11.632 0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.140 -11.241 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.965 -8.578 2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.640 -9.849 3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.988 -9.250 3.605 1.00 0.00 H new ATOM 898 N GLN A 58 -1.606 -11.558 5.526 1.00 0.00 N ATOM 899 CA GLN A 58 -2.383 -10.999 6.666 1.00 0.00 C ATOM 900 C GLN A 58 -1.418 -10.369 7.673 1.00 0.00 C ATOM 901 O GLN A 58 -1.823 -9.700 8.602 1.00 0.00 O ATOM 902 CB GLN A 58 -3.175 -12.119 7.343 1.00 0.00 C ATOM 903 CG GLN A 58 -4.576 -12.196 6.732 1.00 0.00 C ATOM 904 CD GLN A 58 -4.478 -12.092 5.209 1.00 0.00 C ATOM 905 OE1 GLN A 58 -4.504 -10.915 4.644 1.00 0.00 O flip ATOM 906 NE2 GLN A 58 -4.378 -13.092 4.525 1.00 0.00 N flip ATOM 0 H GLN A 58 -1.879 -12.495 5.229 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.075 -10.240 6.301 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.659 -13.071 7.217 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.244 -11.933 8.415 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.055 -13.134 7.012 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.199 -11.391 7.122 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.358 -14.012 4.966 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.314 -13.011 3.510 1.00 0.00 H new ATOM 915 N GLU A 59 -0.141 -10.577 7.490 1.00 0.00 N ATOM 916 CA GLU A 59 0.852 -9.988 8.433 1.00 0.00 C ATOM 917 C GLU A 59 1.164 -8.551 8.009 1.00 0.00 C ATOM 918 O GLU A 59 1.082 -7.631 8.798 1.00 0.00 O ATOM 919 CB GLU A 59 2.134 -10.822 8.411 1.00 0.00 C ATOM 920 CG GLU A 59 2.710 -10.908 9.826 1.00 0.00 C ATOM 921 CD GLU A 59 4.232 -11.029 9.753 1.00 0.00 C ATOM 922 OE1 GLU A 59 4.703 -12.031 9.241 1.00 0.00 O ATOM 923 OE2 GLU A 59 4.902 -10.118 10.211 1.00 0.00 O ATOM 0 H GLU A 59 0.256 -11.128 6.729 1.00 0.00 H new ATOM 0 HA GLU A 59 0.441 -9.986 9.443 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.924 -11.822 8.031 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.862 -10.371 7.737 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.432 -10.022 10.397 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.291 -11.768 10.348 1.00 0.00 H new ATOM 930 N MET A 60 1.513 -8.346 6.766 1.00 0.00 N ATOM 931 CA MET A 60 1.816 -6.963 6.306 1.00 0.00 C ATOM 932 C MET A 60 0.509 -6.176 6.219 1.00 0.00 C ATOM 933 O MET A 60 0.501 -4.961 6.240 1.00 0.00 O ATOM 934 CB MET A 60 2.482 -7.012 4.927 1.00 0.00 C ATOM 935 CG MET A 60 1.580 -7.761 3.945 1.00 0.00 C ATOM 936 SD MET A 60 0.149 -6.733 3.531 1.00 0.00 S ATOM 937 CE MET A 60 0.072 -7.145 1.771 1.00 0.00 C ATOM 0 H MET A 60 1.600 -9.072 6.055 1.00 0.00 H new ATOM 0 HA MET A 60 2.494 -6.479 7.009 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.668 -6.000 4.566 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.450 -7.508 4.997 1.00 0.00 H new ATOM 0 HG2 MET A 60 2.136 -8.009 3.041 1.00 0.00 H new ATOM 0 HG3 MET A 60 1.250 -8.702 4.384 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.953 -7.034 1.416 1.00 0.00 H new ATOM 0 HE2 MET A 60 0.725 -6.475 1.212 1.00 0.00 H new ATOM 0 HE3 MET A 60 0.398 -8.175 1.624 1.00 0.00 H new ATOM 947 N MET A 61 -0.600 -6.860 6.130 1.00 0.00 N ATOM 948 CA MET A 61 -1.906 -6.151 6.051 1.00 0.00 C ATOM 949 C MET A 61 -1.957 -5.091 7.150 1.00 0.00 C ATOM 950 O MET A 61 -2.491 -4.016 6.966 1.00 0.00 O ATOM 951 CB MET A 61 -3.052 -7.153 6.234 1.00 0.00 C ATOM 952 CG MET A 61 -3.395 -7.293 7.719 1.00 0.00 C ATOM 953 SD MET A 61 -4.372 -5.864 8.252 1.00 0.00 S ATOM 954 CE MET A 61 -4.920 -6.542 9.839 1.00 0.00 C ATOM 0 H MET A 61 -0.656 -7.878 6.109 1.00 0.00 H new ATOM 0 HA MET A 61 -2.012 -5.674 5.076 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.929 -6.819 5.680 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.767 -8.122 5.826 1.00 0.00 H new ATOM 0 HG2 MET A 61 -3.955 -8.213 7.889 1.00 0.00 H new ATOM 0 HG3 MET A 61 -2.481 -7.362 8.309 1.00 0.00 H new ATOM 0 HE1 MET A 61 -5.267 -5.732 10.480 1.00 0.00 H new ATOM 0 HE2 MET A 61 -5.734 -7.247 9.672 1.00 0.00 H new ATOM 0 HE3 MET A 61 -4.089 -7.056 10.322 1.00 0.00 H new ATOM 964 N LYS A 62 -1.390 -5.381 8.291 1.00 0.00 N ATOM 965 CA LYS A 62 -1.392 -4.384 9.394 1.00 0.00 C ATOM 966 C LYS A 62 -0.691 -3.119 8.902 1.00 0.00 C ATOM 967 O LYS A 62 -1.295 -2.073 8.768 1.00 0.00 O ATOM 968 CB LYS A 62 -0.644 -4.954 10.604 1.00 0.00 C ATOM 969 CG LYS A 62 -1.519 -6.000 11.301 1.00 0.00 C ATOM 970 CD LYS A 62 -0.751 -6.608 12.478 1.00 0.00 C ATOM 971 CE LYS A 62 -1.493 -7.845 12.989 1.00 0.00 C ATOM 972 NZ LYS A 62 -0.614 -8.597 13.931 1.00 0.00 N ATOM 0 H LYS A 62 -0.927 -6.265 8.504 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.415 -4.153 9.690 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.295 -5.405 10.284 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.393 -4.153 11.299 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.442 -5.540 11.654 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.802 -6.781 10.595 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.258 -6.879 12.166 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.651 -5.875 13.278 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.414 -7.548 13.492 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.778 -8.483 12.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.117 -9.438 14.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.252 -8.892 13.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.364 -7.986 14.735 1.00 0.00 H new ATOM 986 N GLU A 63 0.579 -3.212 8.614 1.00 0.00 N ATOM 987 CA GLU A 63 1.317 -2.029 8.113 1.00 0.00 C ATOM 988 C GLU A 63 0.608 -1.492 6.866 1.00 0.00 C ATOM 989 O GLU A 63 0.648 -0.314 6.574 1.00 0.00 O ATOM 990 CB GLU A 63 2.743 -2.445 7.754 1.00 0.00 C ATOM 991 CG GLU A 63 3.103 -3.743 8.484 1.00 0.00 C ATOM 992 CD GLU A 63 2.816 -3.582 9.979 1.00 0.00 C ATOM 993 OE1 GLU A 63 3.132 -2.531 10.512 1.00 0.00 O ATOM 994 OE2 GLU A 63 2.287 -4.513 10.563 1.00 0.00 O ATOM 0 H GLU A 63 1.135 -4.062 8.706 1.00 0.00 H new ATOM 0 HA GLU A 63 1.347 -1.254 8.878 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.830 -2.586 6.677 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.442 -1.656 8.030 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.525 -4.573 8.079 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.155 -3.981 8.328 1.00 0.00 H new ATOM 1001 N PHE A 64 -0.046 -2.354 6.132 1.00 0.00 N ATOM 1002 CA PHE A 64 -0.766 -1.903 4.907 1.00 0.00 C ATOM 1003 C PHE A 64 -1.980 -1.067 5.317 1.00 0.00 C ATOM 1004 O PHE A 64 -2.115 0.083 4.946 1.00 0.00 O ATOM 1005 CB PHE A 64 -1.246 -3.125 4.119 1.00 0.00 C ATOM 1006 CG PHE A 64 -1.200 -2.837 2.634 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -1.403 -1.535 2.157 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -0.947 -3.879 1.732 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -1.353 -1.277 0.782 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -0.900 -3.621 0.357 1.00 0.00 C ATOM 1011 CZ PHE A 64 -1.103 -2.320 -0.117 1.00 0.00 C ATOM 0 H PHE A 64 -0.112 -3.353 6.329 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.095 -1.307 4.289 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.619 -3.986 4.350 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.263 -3.383 4.416 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.598 -0.730 2.850 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.788 -4.883 2.098 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.507 -0.273 0.415 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.707 -4.425 -0.338 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.067 -2.121 -1.178 1.00 0.00 H new ATOM 1021 N GLN A 65 -2.867 -1.645 6.083 1.00 0.00 N ATOM 1022 CA GLN A 65 -4.080 -0.903 6.526 1.00 0.00 C ATOM 1023 C GLN A 65 -3.680 0.193 7.516 1.00 0.00 C ATOM 1024 O GLN A 65 -4.509 0.940 7.995 1.00 0.00 O ATOM 1025 CB GLN A 65 -5.045 -1.878 7.204 1.00 0.00 C ATOM 1026 CG GLN A 65 -6.132 -1.095 7.943 1.00 0.00 C ATOM 1027 CD GLN A 65 -5.663 -0.786 9.365 1.00 0.00 C ATOM 1028 OE1 GLN A 65 -4.400 -0.914 9.664 1.00 0.00 O flip ATOM 1029 NE2 GLN A 65 -6.455 -0.424 10.213 1.00 0.00 N flip ATOM 0 H GLN A 65 -2.801 -2.605 6.422 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.565 -0.447 5.663 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.497 -2.534 6.460 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.503 -2.515 7.903 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.352 -0.169 7.412 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.056 -1.673 7.971 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.443 -0.324 9.979 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.132 -0.220 11.159 1.00 0.00 H new ATOM 1038 N GLN A 66 -2.418 0.298 7.825 1.00 0.00 N ATOM 1039 CA GLN A 66 -1.971 1.348 8.782 1.00 0.00 C ATOM 1040 C GLN A 66 -1.593 2.609 8.005 1.00 0.00 C ATOM 1041 O GLN A 66 -1.613 3.704 8.529 1.00 0.00 O ATOM 1042 CB GLN A 66 -0.755 0.847 9.563 1.00 0.00 C ATOM 1043 CG GLN A 66 -1.190 -0.245 10.542 1.00 0.00 C ATOM 1044 CD GLN A 66 -1.314 0.347 11.948 1.00 0.00 C ATOM 1045 OE1 GLN A 66 -2.405 0.546 12.441 1.00 0.00 O ATOM 1046 NE2 GLN A 66 -0.231 0.640 12.617 1.00 0.00 N ATOM 0 H GLN A 66 -1.677 -0.298 7.456 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.778 1.574 9.479 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.004 0.456 8.876 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.292 1.672 10.105 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.144 -0.669 10.229 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.464 -1.058 10.541 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.686 0.473 12.202 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.302 1.036 13.554 1.00 0.00 H new ATOM 1055 N VAL A 67 -1.249 2.461 6.755 1.00 0.00 N ATOM 1056 CA VAL A 67 -0.870 3.650 5.943 1.00 0.00 C ATOM 1057 C VAL A 67 -2.137 4.297 5.389 1.00 0.00 C ATOM 1058 O VAL A 67 -2.424 5.450 5.645 1.00 0.00 O ATOM 1059 CB VAL A 67 0.021 3.199 4.783 1.00 0.00 C ATOM 1060 CG1 VAL A 67 1.137 4.219 4.529 1.00 0.00 C ATOM 1061 CG2 VAL A 67 0.646 1.848 5.126 1.00 0.00 C ATOM 0 H VAL A 67 -1.214 1.569 6.262 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.331 4.368 6.560 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.590 3.116 3.884 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.759 3.879 3.701 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.697 5.185 4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.749 4.319 5.425 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.282 1.522 4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.245 1.944 6.032 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.142 1.113 5.289 1.00 0.00 H new ATOM 1071 N LEU A 68 -2.901 3.559 4.629 1.00 0.00 N ATOM 1072 CA LEU A 68 -4.151 4.124 4.055 1.00 0.00 C ATOM 1073 C LEU A 68 -4.864 4.968 5.113 1.00 0.00 C ATOM 1074 O LEU A 68 -5.523 5.941 4.805 1.00 0.00 O ATOM 1075 CB LEU A 68 -5.063 2.981 3.596 1.00 0.00 C ATOM 1076 CG LEU A 68 -5.933 2.500 4.762 1.00 0.00 C ATOM 1077 CD1 LEU A 68 -7.099 3.470 4.973 1.00 0.00 C ATOM 1078 CD2 LEU A 68 -6.484 1.108 4.443 1.00 0.00 C ATOM 0 H LEU A 68 -2.711 2.588 4.382 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.909 4.755 3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.696 3.318 2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.461 2.155 3.217 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.329 2.459 5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.715 3.124 5.803 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.710 4.463 5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.703 3.515 4.067 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.103 0.763 5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.085 1.154 3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.656 0.414 4.296 1.00 0.00 H new ATOM 1090 N ASP A 69 -4.737 4.606 6.359 1.00 0.00 N ATOM 1091 CA ASP A 69 -5.407 5.391 7.433 1.00 0.00 C ATOM 1092 C ASP A 69 -4.535 6.590 7.807 1.00 0.00 C ATOM 1093 O ASP A 69 -5.027 7.670 8.068 1.00 0.00 O ATOM 1094 CB ASP A 69 -5.615 4.506 8.664 1.00 0.00 C ATOM 1095 CG ASP A 69 -6.855 4.975 9.424 1.00 0.00 C ATOM 1096 OD1 ASP A 69 -7.888 5.131 8.794 1.00 0.00 O ATOM 1097 OD2 ASP A 69 -6.752 5.172 10.625 1.00 0.00 O ATOM 0 H ASP A 69 -4.199 3.801 6.680 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.374 5.742 7.074 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.733 3.465 8.362 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.739 4.553 9.311 1.00 0.00 H new ATOM 1102 N GLU A 70 -3.243 6.412 7.834 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.343 7.545 8.191 1.00 0.00 C ATOM 1104 C GLU A 70 -2.486 8.654 7.150 1.00 0.00 C ATOM 1105 O GLU A 70 -2.565 9.820 7.482 1.00 0.00 O ATOM 1106 CB GLU A 70 -0.893 7.057 8.227 1.00 0.00 C ATOM 1107 CG GLU A 70 0.018 8.201 8.675 1.00 0.00 C ATOM 1108 CD GLU A 70 -0.104 8.387 10.189 1.00 0.00 C ATOM 1109 OE1 GLU A 70 0.535 7.640 10.912 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -0.834 9.274 10.600 1.00 0.00 O ATOM 0 H GLU A 70 -2.772 5.532 7.625 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.617 7.931 9.173 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.799 6.213 8.911 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.592 6.703 7.241 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.052 7.983 8.407 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.257 9.122 8.161 1.00 0.00 H new ATOM 1117 N ILE A 71 -2.530 8.305 5.895 1.00 0.00 N ATOM 1118 CA ILE A 71 -2.678 9.352 4.850 1.00 0.00 C ATOM 1119 C ILE A 71 -4.098 9.911 4.908 1.00 0.00 C ATOM 1120 O ILE A 71 -4.307 11.104 4.822 1.00 0.00 O ATOM 1121 CB ILE A 71 -2.412 8.754 3.464 1.00 0.00 C ATOM 1122 CG1 ILE A 71 -2.089 7.261 3.608 1.00 0.00 C ATOM 1123 CG2 ILE A 71 -1.227 9.473 2.813 1.00 0.00 C ATOM 1124 CD1 ILE A 71 -1.645 6.699 2.256 1.00 0.00 C ATOM 0 H ILE A 71 -2.470 7.347 5.550 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.958 10.151 5.029 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.296 8.878 2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.302 7.119 4.348 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.966 6.722 3.967 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.039 9.046 1.828 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.456 10.534 2.712 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.341 9.351 3.436 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.416 5.638 2.360 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.446 6.827 1.528 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.756 7.230 1.915 1.00 0.00 H new ATOM 1136 N LYS A 72 -5.077 9.061 5.067 1.00 0.00 N ATOM 1137 CA LYS A 72 -6.478 9.557 5.144 1.00 0.00 C ATOM 1138 C LYS A 72 -6.494 10.854 5.952 1.00 0.00 C ATOM 1139 O LYS A 72 -7.199 11.790 5.631 1.00 0.00 O ATOM 1140 CB LYS A 72 -7.358 8.510 5.833 1.00 0.00 C ATOM 1141 CG LYS A 72 -8.570 9.197 6.468 1.00 0.00 C ATOM 1142 CD LYS A 72 -9.635 8.151 6.810 1.00 0.00 C ATOM 1143 CE LYS A 72 -10.964 8.539 6.159 1.00 0.00 C ATOM 1144 NZ LYS A 72 -11.566 9.683 6.901 1.00 0.00 N ATOM 0 H LYS A 72 -4.967 8.050 5.146 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.864 9.739 4.141 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.687 7.764 5.110 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.785 7.983 6.596 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.267 9.730 7.369 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.981 9.938 5.782 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.320 7.168 6.459 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.755 8.080 7.891 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.804 8.812 5.116 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.646 7.689 6.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.469 9.947 6.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.732 9.407 7.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.917 10.495 6.873 1.00 0.00 H new ATOM 1158 N GLN A 73 -5.710 10.919 6.993 1.00 0.00 N ATOM 1159 CA GLN A 73 -5.668 12.158 7.815 1.00 0.00 C ATOM 1160 C GLN A 73 -5.018 13.273 6.997 1.00 0.00 C ATOM 1161 O GLN A 73 -5.503 14.387 6.951 1.00 0.00 O ATOM 1162 CB GLN A 73 -4.848 11.909 9.082 1.00 0.00 C ATOM 1163 CG GLN A 73 -4.702 13.219 9.859 1.00 0.00 C ATOM 1164 CD GLN A 73 -3.413 13.923 9.433 1.00 0.00 C ATOM 1165 OE1 GLN A 73 -2.605 13.358 8.722 1.00 0.00 O ATOM 1166 NE2 GLN A 73 -3.184 15.141 9.839 1.00 0.00 N ATOM 0 H GLN A 73 -5.097 10.167 7.309 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.681 12.447 8.097 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -5.336 11.158 9.703 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.865 11.517 8.821 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.560 13.864 9.671 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.683 13.019 10.930 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.862 15.616 10.436 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.327 15.619 9.560 1.00 0.00 H new ATOM 1175 N GLN A 74 -3.925 12.984 6.345 1.00 0.00 N ATOM 1176 CA GLN A 74 -3.254 14.033 5.525 1.00 0.00 C ATOM 1177 C GLN A 74 -4.312 14.798 4.729 1.00 0.00 C ATOM 1178 O GLN A 74 -4.209 15.993 4.527 1.00 0.00 O ATOM 1179 CB GLN A 74 -2.258 13.383 4.560 1.00 0.00 C ATOM 1180 CG GLN A 74 -0.891 14.054 4.712 1.00 0.00 C ATOM 1181 CD GLN A 74 -0.395 13.885 6.148 1.00 0.00 C ATOM 1182 OE1 GLN A 74 0.669 14.532 6.540 1.00 0.00 O flip ATOM 1183 NE2 GLN A 74 -0.982 13.157 6.925 1.00 0.00 N flip ATOM 0 H GLN A 74 -3.469 12.072 6.344 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.717 14.718 6.181 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.177 12.316 4.768 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.612 13.482 3.534 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -0.178 13.612 4.016 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.965 15.113 4.464 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.813 12.651 6.621 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -0.643 13.053 7.881 1.00 0.00 H new ATOM 1192 N LEU A 75 -5.329 14.118 4.273 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.396 14.803 3.490 1.00 0.00 C ATOM 1194 C LEU A 75 -7.157 15.764 4.403 1.00 0.00 C ATOM 1195 O LEU A 75 -8.353 15.942 4.276 1.00 0.00 O ATOM 1196 CB LEU A 75 -7.368 13.763 2.924 1.00 0.00 C ATOM 1197 CG LEU A 75 -6.649 12.872 1.906 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -5.918 13.741 0.881 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -5.640 11.981 2.630 1.00 0.00 C ATOM 0 H LEU A 75 -5.467 13.117 4.409 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.942 15.358 2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.772 13.153 3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.212 14.263 2.449 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.383 12.250 1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.409 13.102 0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.638 14.373 0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.186 14.368 1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.129 11.347 1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.910 12.604 3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.161 11.356 3.355 1.00 0.00 H new ATOM 1211 N GLN A 76 -6.476 16.386 5.323 1.00 0.00 N ATOM 1212 CA GLN A 76 -7.159 17.338 6.241 1.00 0.00 C ATOM 1213 C GLN A 76 -7.400 18.662 5.513 1.00 0.00 C ATOM 1214 O GLN A 76 -8.223 19.462 5.913 1.00 0.00 O ATOM 1215 CB GLN A 76 -6.277 17.579 7.467 1.00 0.00 C ATOM 1216 CG GLN A 76 -7.025 18.452 8.475 1.00 0.00 C ATOM 1217 CD GLN A 76 -6.083 18.822 9.621 1.00 0.00 C ATOM 1218 OE1 GLN A 76 -4.877 18.773 9.472 1.00 0.00 O ATOM 1219 NE2 GLN A 76 -6.583 19.193 10.769 1.00 0.00 N ATOM 0 H GLN A 76 -5.474 16.276 5.479 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.115 16.921 6.558 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.006 16.628 7.925 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.348 18.065 7.169 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.395 19.354 7.988 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.894 17.919 8.861 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.594 19.235 10.895 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.962 19.441 11.539 1.00 0.00 H new ATOM 1228 N GLY A 77 -6.690 18.897 4.442 1.00 0.00 N ATOM 1229 CA GLY A 77 -6.878 20.168 3.686 1.00 0.00 C ATOM 1230 C GLY A 77 -5.569 20.555 2.996 1.00 0.00 C ATOM 1231 O GLY A 77 -4.761 21.280 3.540 1.00 0.00 O ATOM 0 H GLY A 77 -5.988 18.264 4.059 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -7.669 20.049 2.946 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.192 20.962 4.363 1.00 0.00 H new ATOM 1235 N GLY A 78 -5.353 20.078 1.800 1.00 0.00 N ATOM 1236 CA GLY A 78 -4.096 20.421 1.077 1.00 0.00 C ATOM 1237 C GLY A 78 -3.768 19.323 0.064 1.00 0.00 C ATOM 1238 O GLY A 78 -3.938 19.493 -1.127 1.00 0.00 O ATOM 0 H GLY A 78 -5.992 19.466 1.293 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.208 21.378 0.567 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.276 20.532 1.786 1.00 0.00 H new ATOM 1242 N ASP A 79 -3.293 18.199 0.527 1.00 0.00 N ATOM 1243 CA ASP A 79 -2.948 17.092 -0.410 1.00 0.00 C ATOM 1244 C ASP A 79 -4.227 16.521 -1.031 1.00 0.00 C ATOM 1245 O ASP A 79 -4.697 15.470 -0.645 1.00 0.00 O ATOM 1246 CB ASP A 79 -2.219 15.985 0.358 1.00 0.00 C ATOM 1247 CG ASP A 79 -2.616 16.040 1.835 1.00 0.00 C ATOM 1248 OD1 ASP A 79 -3.792 15.883 2.119 1.00 0.00 O ATOM 1249 OD2 ASP A 79 -1.737 16.236 2.657 1.00 0.00 O ATOM 0 H ASP A 79 -3.129 17.999 1.514 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.304 17.477 -1.201 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.471 15.011 -0.061 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.141 16.107 0.256 1.00 0.00 H new ATOM 1254 N ASN A 80 -4.791 17.202 -1.993 1.00 0.00 N ATOM 1255 CA ASN A 80 -6.035 16.689 -2.638 1.00 0.00 C ATOM 1256 C ASN A 80 -5.670 15.601 -3.646 1.00 0.00 C ATOM 1257 O ASN A 80 -6.516 14.860 -4.106 1.00 0.00 O ATOM 1258 CB ASN A 80 -6.749 17.832 -3.361 1.00 0.00 C ATOM 1259 CG ASN A 80 -5.735 18.911 -3.743 1.00 0.00 C ATOM 1260 OD1 ASN A 80 -5.732 19.986 -3.177 1.00 0.00 O ATOM 1261 ND2 ASN A 80 -4.867 18.668 -4.686 1.00 0.00 N ATOM 0 H ASN A 80 -4.445 18.089 -2.359 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.695 16.276 -1.875 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.248 17.455 -4.254 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.521 18.256 -2.719 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.186 19.381 -4.948 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.869 17.765 -5.161 1.00 0.00 H new ATOM 1268 N SER A 81 -4.413 15.479 -3.977 1.00 0.00 N ATOM 1269 CA SER A 81 -4.003 14.421 -4.932 1.00 0.00 C ATOM 1270 C SER A 81 -4.091 13.094 -4.198 1.00 0.00 C ATOM 1271 O SER A 81 -4.481 12.084 -4.748 1.00 0.00 O ATOM 1272 CB SER A 81 -2.566 14.664 -5.393 1.00 0.00 C ATOM 1273 OG SER A 81 -2.359 14.022 -6.645 1.00 0.00 O ATOM 0 H SER A 81 -3.657 16.067 -3.626 1.00 0.00 H new ATOM 0 HA SER A 81 -4.648 14.422 -5.811 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.377 15.734 -5.484 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.864 14.278 -4.653 1.00 0.00 H new ATOM 0 HG SER A 81 -1.408 13.809 -6.750 1.00 0.00 H new ATOM 1279 N LEU A 82 -3.755 13.102 -2.937 1.00 0.00 N ATOM 1280 CA LEU A 82 -3.845 11.857 -2.142 1.00 0.00 C ATOM 1281 C LEU A 82 -5.292 11.383 -2.180 1.00 0.00 C ATOM 1282 O LEU A 82 -5.575 10.214 -2.348 1.00 0.00 O ATOM 1283 CB LEU A 82 -3.432 12.136 -0.700 1.00 0.00 C ATOM 1284 CG LEU A 82 -1.940 11.846 -0.536 1.00 0.00 C ATOM 1285 CD1 LEU A 82 -1.141 12.734 -1.488 1.00 0.00 C ATOM 1286 CD2 LEU A 82 -1.519 12.143 0.901 1.00 0.00 C ATOM 0 H LEU A 82 -3.422 13.921 -2.427 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.183 11.094 -2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.643 13.174 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.012 11.515 -0.017 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.748 10.798 -0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.077 12.528 -1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.440 12.527 -2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.335 13.782 -1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.455 11.936 1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.712 13.192 1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.089 11.513 1.585 1.00 0.00 H new ATOM 1298 N HIS A 83 -6.217 12.297 -2.043 1.00 0.00 N ATOM 1299 CA HIS A 83 -7.649 11.910 -2.090 1.00 0.00 C ATOM 1300 C HIS A 83 -7.851 10.978 -3.280 1.00 0.00 C ATOM 1301 O HIS A 83 -8.751 10.163 -3.305 1.00 0.00 O ATOM 1302 CB HIS A 83 -8.521 13.155 -2.256 1.00 0.00 C ATOM 1303 CG HIS A 83 -9.836 12.938 -1.556 1.00 0.00 C ATOM 1304 ND1 HIS A 83 -10.186 11.715 -1.002 1.00 0.00 N ATOM 1305 CD2 HIS A 83 -10.896 13.777 -1.314 1.00 0.00 C ATOM 1306 CE1 HIS A 83 -11.411 11.851 -0.458 1.00 0.00 C ATOM 1307 NE2 HIS A 83 -11.884 13.087 -0.622 1.00 0.00 N ATOM 0 H HIS A 83 -6.039 13.291 -1.901 1.00 0.00 H new ATOM 0 HA HIS A 83 -7.932 11.409 -1.164 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -8.014 14.026 -1.841 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -8.688 13.358 -3.314 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -10.953 14.813 -1.615 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -11.943 11.059 0.047 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -12.783 13.450 -0.306 1.00 0.00 H new ATOM 1316 N ASN A 84 -7.002 11.092 -4.266 1.00 0.00 N ATOM 1317 CA ASN A 84 -7.120 10.210 -5.458 1.00 0.00 C ATOM 1318 C ASN A 84 -6.174 9.020 -5.290 1.00 0.00 C ATOM 1319 O ASN A 84 -6.474 7.915 -5.693 1.00 0.00 O ATOM 1320 CB ASN A 84 -6.742 10.991 -6.718 1.00 0.00 C ATOM 1321 CG ASN A 84 -7.741 12.129 -6.936 1.00 0.00 C ATOM 1322 OD1 ASN A 84 -8.901 12.008 -6.597 1.00 0.00 O ATOM 1323 ND2 ASN A 84 -7.336 13.237 -7.493 1.00 0.00 N ATOM 0 H ASN A 84 -6.231 11.760 -4.295 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.147 9.856 -5.553 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.734 11.393 -6.620 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.738 10.327 -7.582 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -7.994 14.002 -7.644 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.362 13.338 -7.778 1.00 0.00 H new ATOM 1330 N VAL A 85 -5.032 9.235 -4.690 1.00 0.00 N ATOM 1331 CA VAL A 85 -4.078 8.114 -4.494 1.00 0.00 C ATOM 1332 C VAL A 85 -4.411 7.398 -3.186 1.00 0.00 C ATOM 1333 O VAL A 85 -4.531 6.190 -3.140 1.00 0.00 O ATOM 1334 CB VAL A 85 -2.656 8.665 -4.428 1.00 0.00 C ATOM 1335 CG1 VAL A 85 -1.679 7.612 -4.944 1.00 0.00 C ATOM 1336 CG2 VAL A 85 -2.552 9.921 -5.296 1.00 0.00 C ATOM 0 H VAL A 85 -4.723 10.138 -4.330 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.155 7.413 -5.325 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.413 8.915 -3.395 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.663 8.004 -4.897 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.751 6.716 -4.327 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.925 7.363 -5.976 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.536 10.313 -5.248 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.796 9.671 -6.329 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.250 10.675 -4.931 1.00 0.00 H new ATOM 1346 N HIS A 86 -4.571 8.135 -2.121 1.00 0.00 N ATOM 1347 CA HIS A 86 -4.909 7.496 -0.820 1.00 0.00 C ATOM 1348 C HIS A 86 -6.134 6.601 -1.012 1.00 0.00 C ATOM 1349 O HIS A 86 -6.248 5.549 -0.415 1.00 0.00 O ATOM 1350 CB HIS A 86 -5.213 8.583 0.218 1.00 0.00 C ATOM 1351 CG HIS A 86 -6.194 8.056 1.230 1.00 0.00 C ATOM 1352 ND1 HIS A 86 -7.283 8.801 1.664 1.00 0.00 N ATOM 1353 CD2 HIS A 86 -6.267 6.859 1.901 1.00 0.00 C ATOM 1354 CE1 HIS A 86 -7.957 8.051 2.557 1.00 0.00 C ATOM 1355 NE2 HIS A 86 -7.379 6.862 2.734 1.00 0.00 N ATOM 0 H HIS A 86 -4.482 9.151 -2.097 1.00 0.00 H new ATOM 0 HA HIS A 86 -4.070 6.895 -0.469 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.294 8.892 0.715 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -5.622 9.465 -0.274 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -7.528 9.744 1.362 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.568 6.042 1.797 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -8.854 8.372 3.066 1.00 0.00 H new ATOM 1364 N GLU A 87 -7.049 7.010 -1.848 1.00 0.00 N ATOM 1365 CA GLU A 87 -8.264 6.183 -2.088 1.00 0.00 C ATOM 1366 C GLU A 87 -7.877 4.956 -2.915 1.00 0.00 C ATOM 1367 O GLU A 87 -8.455 3.896 -2.777 1.00 0.00 O ATOM 1368 CB GLU A 87 -9.301 7.010 -2.852 1.00 0.00 C ATOM 1369 CG GLU A 87 -10.560 7.174 -1.997 1.00 0.00 C ATOM 1370 CD GLU A 87 -11.534 8.122 -2.701 1.00 0.00 C ATOM 1371 OE1 GLU A 87 -11.123 9.222 -3.033 1.00 0.00 O ATOM 1372 OE2 GLU A 87 -12.673 7.732 -2.898 1.00 0.00 O ATOM 0 H GLU A 87 -7.007 7.882 -2.375 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.688 5.865 -1.136 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.889 7.988 -3.101 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.550 6.520 -3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.032 6.205 -1.835 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.297 7.568 -1.015 1.00 0.00 H new ATOM 1379 N ASN A 88 -6.902 5.091 -3.773 1.00 0.00 N ATOM 1380 CA ASN A 88 -6.479 3.930 -4.604 1.00 0.00 C ATOM 1381 C ASN A 88 -5.881 2.854 -3.698 1.00 0.00 C ATOM 1382 O ASN A 88 -6.032 1.672 -3.938 1.00 0.00 O ATOM 1383 CB ASN A 88 -5.428 4.382 -5.621 1.00 0.00 C ATOM 1384 CG ASN A 88 -5.981 5.543 -6.449 1.00 0.00 C ATOM 1385 OD1 ASN A 88 -7.171 5.787 -6.456 1.00 0.00 O ATOM 1386 ND2 ASN A 88 -5.161 6.274 -7.152 1.00 0.00 N ATOM 0 H ASN A 88 -6.382 5.954 -3.933 1.00 0.00 H new ATOM 0 HA ASN A 88 -7.342 3.527 -5.133 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.518 4.690 -5.106 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.159 3.552 -6.274 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -5.519 7.051 -7.708 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -4.162 6.069 -7.146 1.00 0.00 H new ATOM 1393 N ILE A 89 -5.205 3.253 -2.655 1.00 0.00 N ATOM 1394 CA ILE A 89 -4.601 2.252 -1.733 1.00 0.00 C ATOM 1395 C ILE A 89 -5.686 1.284 -1.256 1.00 0.00 C ATOM 1396 O ILE A 89 -5.531 0.083 -1.323 1.00 0.00 O ATOM 1397 CB ILE A 89 -3.981 2.972 -0.532 1.00 0.00 C ATOM 1398 CG1 ILE A 89 -2.539 3.359 -0.865 1.00 0.00 C ATOM 1399 CG2 ILE A 89 -3.989 2.045 0.686 1.00 0.00 C ATOM 1400 CD1 ILE A 89 -1.616 2.169 -0.592 1.00 0.00 C ATOM 0 H ILE A 89 -5.045 4.228 -2.402 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.824 1.694 -2.255 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.561 3.867 -0.308 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.464 3.659 -1.910 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.233 4.216 -0.264 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.547 2.561 1.539 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.015 1.765 0.923 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.410 1.148 0.465 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.588 2.444 -0.829 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.684 1.890 0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.918 1.325 -1.212 1.00 0.00 H new ATOM 1412 N LYS A 90 -6.787 1.797 -0.778 1.00 0.00 N ATOM 1413 CA LYS A 90 -7.875 0.897 -0.303 1.00 0.00 C ATOM 1414 C LYS A 90 -8.134 -0.183 -1.357 1.00 0.00 C ATOM 1415 O LYS A 90 -7.922 -1.356 -1.122 1.00 0.00 O ATOM 1416 CB LYS A 90 -9.152 1.710 -0.077 1.00 0.00 C ATOM 1417 CG LYS A 90 -8.797 3.026 0.616 1.00 0.00 C ATOM 1418 CD LYS A 90 -10.071 3.696 1.135 1.00 0.00 C ATOM 1419 CE LYS A 90 -9.700 4.949 1.930 1.00 0.00 C ATOM 1420 NZ LYS A 90 -10.450 4.960 3.218 1.00 0.00 N ATOM 0 H LYS A 90 -6.979 2.795 -0.696 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.577 0.428 0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.644 1.908 -1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.855 1.143 0.533 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.110 2.840 1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.284 3.689 -0.081 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.721 3.961 0.301 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.628 3.003 1.766 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.627 4.967 2.121 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.936 5.843 1.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.198 5.812 3.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.472 4.962 3.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.204 4.114 3.770 1.00 0.00 H new ATOM 1434 N GLU A 91 -8.586 0.204 -2.520 1.00 0.00 N ATOM 1435 CA GLU A 91 -8.847 -0.804 -3.585 1.00 0.00 C ATOM 1436 C GLU A 91 -7.583 -1.634 -3.813 1.00 0.00 C ATOM 1437 O GLU A 91 -7.594 -2.843 -3.698 1.00 0.00 O ATOM 1438 CB GLU A 91 -9.233 -0.089 -4.882 1.00 0.00 C ATOM 1439 CG GLU A 91 -10.078 1.142 -4.552 1.00 0.00 C ATOM 1440 CD GLU A 91 -10.651 1.731 -5.843 1.00 0.00 C ATOM 1441 OE1 GLU A 91 -10.979 0.960 -6.729 1.00 0.00 O ATOM 1442 OE2 GLU A 91 -10.754 2.945 -5.923 1.00 0.00 O ATOM 0 H GLU A 91 -8.785 1.171 -2.777 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.663 -1.458 -3.279 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.337 0.207 -5.427 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.792 -0.764 -5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.887 0.870 -3.874 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.469 1.887 -4.039 1.00 0.00 H new ATOM 1449 N ILE A 92 -6.492 -0.993 -4.128 1.00 0.00 N ATOM 1450 CA ILE A 92 -5.224 -1.742 -4.356 1.00 0.00 C ATOM 1451 C ILE A 92 -4.973 -2.675 -3.168 1.00 0.00 C ATOM 1452 O ILE A 92 -4.941 -3.881 -3.298 1.00 0.00 O ATOM 1453 CB ILE A 92 -4.063 -0.745 -4.471 1.00 0.00 C ATOM 1454 CG1 ILE A 92 -3.834 -0.384 -5.944 1.00 0.00 C ATOM 1455 CG2 ILE A 92 -2.789 -1.359 -3.881 1.00 0.00 C ATOM 1456 CD1 ILE A 92 -3.023 -1.483 -6.633 1.00 0.00 C ATOM 0 H ILE A 92 -6.423 0.019 -4.238 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.299 -2.326 -5.274 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.312 0.159 -3.916 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.792 -0.257 -6.449 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.307 0.567 -6.016 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.969 -0.646 -3.966 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.954 -1.600 -2.831 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.537 -2.269 -4.426 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.865 -1.218 -7.678 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.059 -1.589 -6.136 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.566 -2.426 -6.576 1.00 0.00 H new ATOM 1468 N PHE A 93 -4.790 -2.108 -2.012 1.00 0.00 N ATOM 1469 CA PHE A 93 -4.533 -2.926 -0.797 1.00 0.00 C ATOM 1470 C PHE A 93 -5.562 -4.051 -0.708 1.00 0.00 C ATOM 1471 O PHE A 93 -5.226 -5.195 -0.474 1.00 0.00 O ATOM 1472 CB PHE A 93 -4.645 -2.025 0.432 1.00 0.00 C ATOM 1473 CG PHE A 93 -4.782 -2.862 1.677 1.00 0.00 C ATOM 1474 CD1 PHE A 93 -3.986 -4.001 1.851 1.00 0.00 C ATOM 1475 CD2 PHE A 93 -5.704 -2.495 2.661 1.00 0.00 C ATOM 1476 CE1 PHE A 93 -4.114 -4.770 3.010 1.00 0.00 C ATOM 1477 CE2 PHE A 93 -5.834 -3.264 3.820 1.00 0.00 C ATOM 1478 CZ PHE A 93 -5.038 -4.404 3.997 1.00 0.00 C ATOM 0 H PHE A 93 -4.808 -1.100 -1.855 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.536 -3.363 -0.846 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.763 -1.389 0.508 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -5.507 -1.365 0.331 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.274 -4.284 1.090 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -6.317 -1.616 2.525 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.500 -5.648 3.145 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -6.548 -2.980 4.579 1.00 0.00 H new ATOM 0 HZ PHE A 93 -5.137 -4.999 4.893 1.00 0.00 H new ATOM 1488 N HIS A 94 -6.812 -3.738 -0.894 1.00 0.00 N ATOM 1489 CA HIS A 94 -7.852 -4.796 -0.821 1.00 0.00 C ATOM 1490 C HIS A 94 -7.774 -5.659 -2.080 1.00 0.00 C ATOM 1491 O HIS A 94 -8.567 -6.558 -2.279 1.00 0.00 O ATOM 1492 CB HIS A 94 -9.235 -4.151 -0.721 1.00 0.00 C ATOM 1493 CG HIS A 94 -9.635 -4.051 0.727 1.00 0.00 C ATOM 1494 ND1 HIS A 94 -10.231 -2.914 1.254 1.00 0.00 N ATOM 1495 CD2 HIS A 94 -9.527 -4.937 1.771 1.00 0.00 C ATOM 1496 CE1 HIS A 94 -10.459 -3.144 2.561 1.00 0.00 C ATOM 1497 NE2 HIS A 94 -10.047 -4.360 2.924 1.00 0.00 N ATOM 0 H HIS A 94 -7.157 -2.799 -1.093 1.00 0.00 H new ATOM 0 HA HIS A 94 -7.685 -5.417 0.059 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.220 -3.160 -1.175 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.966 -4.743 -1.272 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.104 -5.928 1.706 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -10.918 -2.433 3.232 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -10.102 -4.778 3.853 1.00 0.00 H new ATOM 1506 N HIS A 95 -6.814 -5.401 -2.928 1.00 0.00 N ATOM 1507 CA HIS A 95 -6.678 -6.217 -4.167 1.00 0.00 C ATOM 1508 C HIS A 95 -5.784 -7.420 -3.869 1.00 0.00 C ATOM 1509 O HIS A 95 -5.941 -8.481 -4.442 1.00 0.00 O ATOM 1510 CB HIS A 95 -6.053 -5.372 -5.280 1.00 0.00 C ATOM 1511 CG HIS A 95 -6.732 -5.682 -6.586 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -6.201 -6.578 -7.505 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -7.900 -5.222 -7.145 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -7.040 -6.627 -8.557 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -8.089 -5.821 -8.385 1.00 0.00 N ATOM 0 H HIS A 95 -6.120 -4.662 -2.816 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.661 -6.557 -4.493 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.155 -4.312 -5.047 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -4.986 -5.581 -5.354 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -8.568 -4.505 -6.691 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -6.883 -7.242 -9.431 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -8.867 -5.675 -9.029 1.00 0.00 H new ATOM 1524 N LEU A 96 -4.855 -7.269 -2.965 1.00 0.00 N ATOM 1525 CA LEU A 96 -3.964 -8.409 -2.617 1.00 0.00 C ATOM 1526 C LEU A 96 -4.779 -9.441 -1.839 1.00 0.00 C ATOM 1527 O LEU A 96 -4.877 -10.589 -2.223 1.00 0.00 O ATOM 1528 CB LEU A 96 -2.808 -7.910 -1.748 1.00 0.00 C ATOM 1529 CG LEU A 96 -1.498 -8.573 -2.181 1.00 0.00 C ATOM 1530 CD1 LEU A 96 -0.455 -8.384 -1.082 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.717 -10.072 -2.409 1.00 0.00 C ATOM 0 H LEU A 96 -4.675 -6.405 -2.453 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.559 -8.857 -3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.721 -6.827 -1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.008 -8.133 -0.700 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.155 -8.115 -3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.481 -8.854 -1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.290 -7.319 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.811 -8.843 -0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.779 -10.534 -2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.063 -10.534 -1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.465 -10.216 -3.188 1.00 0.00 H new ATOM 1543 N GLU A 97 -5.370 -9.036 -0.749 1.00 0.00 N ATOM 1544 CA GLU A 97 -6.184 -9.990 0.054 1.00 0.00 C ATOM 1545 C GLU A 97 -7.161 -10.722 -0.872 1.00 0.00 C ATOM 1546 O GLU A 97 -7.772 -11.701 -0.494 1.00 0.00 O ATOM 1547 CB GLU A 97 -6.967 -9.219 1.119 1.00 0.00 C ATOM 1548 CG GLU A 97 -7.392 -10.170 2.244 1.00 0.00 C ATOM 1549 CD GLU A 97 -6.828 -9.670 3.575 1.00 0.00 C ATOM 1550 OE1 GLU A 97 -5.761 -9.079 3.559 1.00 0.00 O ATOM 1551 OE2 GLU A 97 -7.472 -9.886 4.589 1.00 0.00 O ATOM 0 H GLU A 97 -5.324 -8.086 -0.380 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.530 -10.714 0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.353 -8.415 1.524 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.846 -8.755 0.672 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -8.479 -10.226 2.296 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.030 -11.178 2.039 1.00 0.00 H new ATOM 1558 N GLU A 98 -7.308 -10.257 -2.084 1.00 0.00 N ATOM 1559 CA GLU A 98 -8.239 -10.931 -3.032 1.00 0.00 C ATOM 1560 C GLU A 98 -7.481 -12.025 -3.786 1.00 0.00 C ATOM 1561 O GLU A 98 -8.019 -13.073 -4.082 1.00 0.00 O ATOM 1562 CB GLU A 98 -8.793 -9.906 -4.025 1.00 0.00 C ATOM 1563 CG GLU A 98 -9.361 -10.631 -5.246 1.00 0.00 C ATOM 1564 CD GLU A 98 -10.631 -9.919 -5.718 1.00 0.00 C ATOM 1565 OE1 GLU A 98 -10.506 -8.866 -6.323 1.00 0.00 O ATOM 1566 OE2 GLU A 98 -11.706 -10.438 -5.467 1.00 0.00 O ATOM 0 H GLU A 98 -6.824 -9.441 -2.457 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.067 -11.375 -2.480 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -9.571 -9.308 -3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -8.005 -9.219 -4.332 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.622 -10.649 -6.047 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.585 -11.668 -4.995 1.00 0.00 H new ATOM 1573 N LEU A 99 -6.230 -11.795 -4.090 1.00 0.00 N ATOM 1574 CA LEU A 99 -5.443 -12.833 -4.811 1.00 0.00 C ATOM 1575 C LEU A 99 -5.212 -14.014 -3.872 1.00 0.00 C ATOM 1576 O LEU A 99 -4.655 -15.027 -4.250 1.00 0.00 O ATOM 1577 CB LEU A 99 -4.093 -12.249 -5.234 1.00 0.00 C ATOM 1578 CG LEU A 99 -4.212 -11.631 -6.628 1.00 0.00 C ATOM 1579 CD1 LEU A 99 -3.469 -10.295 -6.660 1.00 0.00 C ATOM 1580 CD2 LEU A 99 -3.592 -12.581 -7.658 1.00 0.00 C ATOM 0 H LEU A 99 -5.723 -10.937 -3.871 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.986 -13.161 -5.697 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.772 -11.493 -4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.333 -13.030 -5.236 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.263 -11.468 -6.865 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.554 -9.855 -7.654 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.905 -9.618 -5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.417 -10.458 -6.424 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.675 -12.143 -8.653 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.541 -12.741 -7.419 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.118 -13.535 -7.636 1.00 0.00 H new ATOM 1592 N VAL A 100 -5.636 -13.886 -2.647 1.00 0.00 N ATOM 1593 CA VAL A 100 -5.448 -14.990 -1.666 1.00 0.00 C ATOM 1594 C VAL A 100 -6.814 -15.514 -1.227 1.00 0.00 C ATOM 1595 O VAL A 100 -6.927 -16.572 -0.640 1.00 0.00 O ATOM 1596 CB VAL A 100 -4.680 -14.459 -0.457 1.00 0.00 C ATOM 1597 CG1 VAL A 100 -3.878 -13.231 -0.874 1.00 0.00 C ATOM 1598 CG2 VAL A 100 -5.658 -14.060 0.644 1.00 0.00 C ATOM 0 H VAL A 100 -6.108 -13.059 -2.281 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.884 -15.803 -2.123 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.012 -15.236 -0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.327 -12.847 -0.015 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.176 -13.505 -1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.556 -12.462 -1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.104 -13.682 1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -6.326 -13.283 0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.243 -14.929 0.943 1.00 0.00 H new ATOM 1608 N HIS A 101 -7.852 -14.775 -1.497 1.00 0.00 N ATOM 1609 CA HIS A 101 -9.205 -15.224 -1.083 1.00 0.00 C ATOM 1610 C HIS A 101 -9.607 -16.460 -1.893 1.00 0.00 C ATOM 1611 O HIS A 101 -10.631 -17.066 -1.648 1.00 0.00 O ATOM 1612 CB HIS A 101 -10.215 -14.101 -1.329 1.00 0.00 C ATOM 1613 CG HIS A 101 -11.437 -14.330 -0.484 1.00 0.00 C ATOM 1614 ND1 HIS A 101 -11.813 -15.378 0.320 1.00 0.00 N flip ATOM 1615 CD2 HIS A 101 -12.461 -13.398 -0.399 1.00 0.00 C flip ATOM 1616 CE1 HIS A 101 -13.049 -15.100 0.894 1.00 0.00 C flip ATOM 1617 NE2 HIS A 101 -13.397 -13.898 0.430 1.00 0.00 N flip ATOM 0 H HIS A 101 -7.820 -13.880 -1.986 1.00 0.00 H new ATOM 0 HA HIS A 101 -9.193 -15.475 -0.022 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -9.768 -13.137 -1.087 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.490 -14.069 -2.383 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -11.270 -16.228 0.472 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -12.500 -12.445 -0.905 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -13.610 -15.726 1.573 1.00 0.00 H new ATOM 1626 N ARG A 102 -8.813 -16.835 -2.858 1.00 0.00 N ATOM 1627 CA ARG A 102 -9.156 -18.030 -3.682 1.00 0.00 C ATOM 1628 C ARG A 102 -8.456 -19.264 -3.111 1.00 0.00 C ATOM 1629 O ARG A 102 -8.084 -19.227 -1.949 1.00 0.00 O ATOM 1630 CB ARG A 102 -8.697 -17.805 -5.123 1.00 0.00 C ATOM 1631 CG ARG A 102 -7.337 -17.103 -5.123 1.00 0.00 C ATOM 1632 CD ARG A 102 -6.388 -17.819 -6.086 1.00 0.00 C ATOM 1633 NE ARG A 102 -5.726 -18.953 -5.382 1.00 0.00 N ATOM 1634 CZ ARG A 102 -4.575 -18.776 -4.789 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -4.004 -17.602 -4.809 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -3.997 -19.771 -4.174 1.00 0.00 N ATOM 1637 OXT ARG A 102 -8.305 -20.226 -3.846 1.00 0.00 O ATOM 0 H ARG A 102 -7.943 -16.367 -3.112 1.00 0.00 H new ATOM 0 HA ARG A 102 -10.235 -18.184 -3.664 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -8.626 -18.759 -5.646 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -9.429 -17.201 -5.659 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -7.455 -16.061 -5.420 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -6.917 -17.102 -4.117 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -6.940 -18.187 -6.951 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.638 -17.122 -6.460 1.00 0.00 H new ATOM 0 HE ARG A 102 -6.172 -19.870 -5.363 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.456 -16.823 -5.287 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -3.106 -17.464 -4.346 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -4.444 -20.688 -4.156 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.099 -19.632 -3.711 1.00 0.00 H new TER 1651 ARG A 102