USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 792 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 83 HIS : no HD1:sc= 0 X(o=-3.9,f=-4.1) USER MOD Set 1.2: A 87 GLN : amide:sc= -3.9 K(o=-3.9,f=-7.2!) USER MOD Set 2.1: A 22 ASN : amide:sc= -1.68! C(o=-1.4!,f=-1.6!) USER MOD Set 2.2: A 80 HIS : no HD1:sc= -0.804 X(o=-1.4,f=-1.7) USER MOD Set 2.3: A 81 THR OG1 : rot 153:sc= 1.06 USER MOD Set 3.1: A 72 ASN : amide:sc= -0.499 K(o=-0.77,f=-6.8!) USER MOD Set 3.2: A 79 LYS NZ :NH3+ 169:sc= -0.274 (180deg=0) USER MOD Set 4.1: A 53 SER OG : rot -38:sc= -2.34! USER MOD Set 4.2: A 56 LYS NZ :NH3+ -135:sc= -0.63! (180deg=-1.18) USER MOD Set 5.1: A 6 ASN : amide:sc= -4.31 K(o=-12,f=-25!) USER MOD Set 5.2: A 48 MET CE :methyl -112:sc= -8.14! (180deg=-9.37!) USER MOD Set 6.1: A 24 HIS : no HD1:sc= -0.686 K(o=-1.3,f=-5.2) USER MOD Set 6.2: A 74 HIS : no HD1:sc= -0.576 K(o=-1.3,f=-2.6) USER MOD Set 7.1: A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 7.2: A 21 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.653) USER MOD Single : A 4 LYS NZ :NH3+ -134:sc= -0.935 (180deg=-3.41!) USER MOD Single : A 13 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.4!) USER MOD Single : A 18 ASN : amide:sc= -0.27 K(o=-0.27,f=-2.5!) USER MOD Single : A 20 HIS : no HD1:sc= -17.7! C(o=-18!,f=-17!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0.0691 X(o=0.069,f=-0.0098) USER MOD Single : A 31 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.48) USER MOD Single : A 35 ASN :FLIP amide:sc= -0.226! F(o=-1.4,f=-0.23!) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -3.73 F(o=-4.8!,f=-3.7) USER MOD Single : A 38 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.2!) USER MOD Single : A 39 ASN : amide:sc= -0.414 K(o=-0.41,f=-0.96) USER MOD Single : A 45 HIS : no HE2:sc= -14! C(o=-14!,f=-16!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.451 X(o=-0.45,f=-0.78) USER MOD Single : A 60 MET CE :methyl 155:sc= -5.55! (180deg=-5.97!) USER MOD Single : A 61 MET CE :methyl -153:sc= -2.56 (180deg=-3.01!) USER MOD Single : A 62 LYS NZ :NH3+ 173:sc= -0.3 (180deg=-0.431) USER MOD Single : A 65 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 66 GLN : amide:sc= -0.345 X(o=-0.34,f=-0.059) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0.33) USER MOD Single : A 76 GLN :FLIP amide:sc= -0.483 F(o=-0.99,f=-0.48) USER MOD Single : A 84 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.27) USER MOD Single : A 88 ASN : amide:sc= -1.93! C(o=-1.9!,f=-1.5!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HE2:sc= -1.02 K(o=-1,f=-2.1) USER MOD Single : A 101 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 41 N GLY A 3 -1.747 -16.196 5.373 1.00 0.00 N ATOM 42 CA GLY A 3 -2.471 -15.069 5.930 1.00 0.00 C ATOM 43 C GLY A 3 -1.636 -14.256 6.898 1.00 0.00 C ATOM 44 O GLY A 3 -2.152 -13.367 7.574 1.00 0.00 O ATOM 0 HA2 GLY A 3 -2.810 -14.424 5.119 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.362 -15.432 6.442 1.00 0.00 H new ATOM 48 N LYS A 4 -0.342 -14.551 6.963 1.00 0.00 N ATOM 49 CA LYS A 4 0.556 -13.821 7.848 1.00 0.00 C ATOM 50 C LYS A 4 1.250 -12.710 7.102 1.00 0.00 C ATOM 51 O LYS A 4 1.706 -11.739 7.706 1.00 0.00 O ATOM 52 CB LYS A 4 1.593 -14.752 8.469 1.00 0.00 C ATOM 53 CG LYS A 4 2.377 -14.115 9.603 1.00 0.00 C ATOM 54 CD LYS A 4 1.467 -13.721 10.756 1.00 0.00 C ATOM 55 CE LYS A 4 2.259 -13.466 12.028 1.00 0.00 C ATOM 56 NZ LYS A 4 3.200 -12.322 11.881 1.00 0.00 N ATOM 0 H LYS A 4 0.106 -15.287 6.416 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.046 -13.390 8.648 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.091 -15.645 8.842 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.288 -15.077 7.695 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.136 -14.812 9.959 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.901 -13.234 9.234 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.907 -12.825 10.489 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.738 -14.512 10.932 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.571 -13.266 12.849 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.818 -14.363 12.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.130 -12.586 12.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.297 -12.080 10.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.831 -11.500 12.401 1.00 0.00 H new ATOM 70 N LEU A 5 1.304 -12.827 5.781 1.00 0.00 N ATOM 71 CA LEU A 5 1.918 -11.789 4.982 1.00 0.00 C ATOM 72 C LEU A 5 1.302 -10.446 5.357 1.00 0.00 C ATOM 73 O LEU A 5 1.915 -9.393 5.178 1.00 0.00 O ATOM 74 CB LEU A 5 1.742 -12.067 3.489 1.00 0.00 C ATOM 75 CG LEU A 5 2.909 -11.597 2.622 1.00 0.00 C ATOM 76 CD1 LEU A 5 3.219 -10.139 2.911 1.00 0.00 C ATOM 77 CD2 LEU A 5 4.141 -12.459 2.869 1.00 0.00 C ATOM 0 H LEU A 5 0.935 -13.618 5.253 1.00 0.00 H new ATOM 0 HA LEU A 5 2.989 -11.768 5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.605 -13.139 3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.830 -11.580 3.145 1.00 0.00 H new ATOM 0 HG LEU A 5 2.625 -11.696 1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.052 -9.814 2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.342 -9.530 2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.486 -10.025 3.962 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.962 -12.109 2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.430 -12.389 3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.914 -13.497 2.624 1.00 0.00 H new ATOM 89 N ASN A 6 0.084 -10.494 5.909 1.00 0.00 N ATOM 90 CA ASN A 6 -0.597 -9.286 6.332 1.00 0.00 C ATOM 91 C ASN A 6 0.218 -8.555 7.389 1.00 0.00 C ATOM 92 O ASN A 6 0.319 -7.328 7.370 1.00 0.00 O ATOM 93 CB ASN A 6 -1.991 -9.594 6.869 1.00 0.00 C ATOM 94 CG ASN A 6 -1.979 -10.671 7.936 1.00 0.00 C ATOM 95 OD1 ASN A 6 -0.945 -11.279 8.209 1.00 0.00 O ATOM 96 ND2 ASN A 6 -3.135 -10.913 8.545 1.00 0.00 N ATOM 0 H ASN A 6 -0.439 -11.355 6.068 1.00 0.00 H new ATOM 0 HA ASN A 6 -0.703 -8.644 5.458 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.427 -8.684 7.281 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.632 -9.910 6.046 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.189 -11.627 9.271 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -3.968 -10.384 8.287 1.00 0.00 H new ATOM 103 N ASP A 7 0.814 -9.315 8.305 1.00 0.00 N ATOM 104 CA ASP A 7 1.636 -8.732 9.359 1.00 0.00 C ATOM 105 C ASP A 7 2.646 -7.762 8.757 1.00 0.00 C ATOM 106 O ASP A 7 3.040 -6.780 9.388 1.00 0.00 O ATOM 107 CB ASP A 7 2.364 -9.828 10.139 1.00 0.00 C ATOM 108 CG ASP A 7 3.188 -9.271 11.284 1.00 0.00 C ATOM 109 OD1 ASP A 7 2.597 -8.918 12.326 1.00 0.00 O ATOM 110 OD2 ASP A 7 4.426 -9.191 11.139 1.00 0.00 O ATOM 0 H ASP A 7 0.743 -10.332 8.338 1.00 0.00 H new ATOM 0 HA ASP A 7 0.986 -8.190 10.046 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.635 -10.537 10.531 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.015 -10.381 9.462 1.00 0.00 H new ATOM 115 N LEU A 8 3.046 -8.043 7.521 1.00 0.00 N ATOM 116 CA LEU A 8 3.994 -7.199 6.808 1.00 0.00 C ATOM 117 C LEU A 8 3.265 -6.049 6.123 1.00 0.00 C ATOM 118 O LEU A 8 3.810 -4.956 5.971 1.00 0.00 O ATOM 119 CB LEU A 8 4.766 -8.025 5.773 1.00 0.00 C ATOM 120 CG LEU A 8 5.724 -7.234 4.874 1.00 0.00 C ATOM 121 CD1 LEU A 8 4.961 -6.509 3.777 1.00 0.00 C ATOM 122 CD2 LEU A 8 6.547 -6.250 5.696 1.00 0.00 C ATOM 0 H LEU A 8 2.725 -8.854 6.991 1.00 0.00 H new ATOM 0 HA LEU A 8 4.702 -6.787 7.527 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.338 -8.790 6.298 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.047 -8.544 5.139 1.00 0.00 H new ATOM 0 HG LEU A 8 6.407 -7.941 4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.661 -5.955 3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.425 -7.235 3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.249 -5.817 4.226 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.220 -5.700 5.038 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.880 -5.551 6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.131 -6.795 6.438 1.00 0.00 H new ATOM 134 N LEU A 9 2.024 -6.302 5.716 1.00 0.00 N ATOM 135 CA LEU A 9 1.218 -5.287 5.052 1.00 0.00 C ATOM 136 C LEU A 9 0.854 -4.171 6.029 1.00 0.00 C ATOM 137 O LEU A 9 0.746 -3.006 5.648 1.00 0.00 O ATOM 138 CB LEU A 9 -0.057 -5.907 4.479 1.00 0.00 C ATOM 139 CG LEU A 9 0.037 -6.332 3.013 1.00 0.00 C ATOM 140 CD1 LEU A 9 -0.727 -7.629 2.779 1.00 0.00 C ATOM 141 CD2 LEU A 9 -0.486 -5.228 2.106 1.00 0.00 C ATOM 0 H LEU A 9 1.557 -7.201 5.835 1.00 0.00 H new ATOM 0 HA LEU A 9 1.805 -4.866 4.236 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.321 -6.778 5.079 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.871 -5.190 4.583 1.00 0.00 H new ATOM 0 HG LEU A 9 1.085 -6.508 2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.648 -7.914 1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.305 -8.417 3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.776 -7.485 3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.412 -5.546 1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.528 -5.021 2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.107 -4.325 2.252 1.00 0.00 H new ATOM 153 N GLU A 10 0.662 -4.540 7.292 1.00 0.00 N ATOM 154 CA GLU A 10 0.302 -3.581 8.334 1.00 0.00 C ATOM 155 C GLU A 10 1.213 -2.358 8.301 1.00 0.00 C ATOM 156 O GLU A 10 0.746 -1.222 8.382 1.00 0.00 O ATOM 157 CB GLU A 10 0.372 -4.244 9.710 1.00 0.00 C ATOM 158 CG GLU A 10 -0.800 -5.168 10.000 1.00 0.00 C ATOM 159 CD GLU A 10 -2.076 -4.413 10.312 1.00 0.00 C ATOM 160 OE1 GLU A 10 -2.549 -3.659 9.436 1.00 0.00 O ATOM 161 OE2 GLU A 10 -2.602 -4.573 11.434 1.00 0.00 O ATOM 0 H GLU A 10 0.750 -5.502 7.621 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.719 -3.250 8.144 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.299 -4.813 9.784 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.412 -3.469 10.476 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.967 -5.817 9.140 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.549 -5.813 10.842 1.00 0.00 H new ATOM 168 N ASP A 11 2.513 -2.597 8.180 1.00 0.00 N ATOM 169 CA ASP A 11 3.488 -1.513 8.135 1.00 0.00 C ATOM 170 C ASP A 11 3.178 -0.553 6.989 1.00 0.00 C ATOM 171 O ASP A 11 3.285 0.663 7.138 1.00 0.00 O ATOM 172 CB ASP A 11 4.904 -2.076 7.980 1.00 0.00 C ATOM 173 CG ASP A 11 5.820 -1.657 9.113 1.00 0.00 C ATOM 174 OD1 ASP A 11 5.407 -1.777 10.286 1.00 0.00 O ATOM 175 OD2 ASP A 11 6.951 -1.209 8.828 1.00 0.00 O ATOM 0 H ASP A 11 2.917 -3.531 8.111 1.00 0.00 H new ATOM 0 HA ASP A 11 3.427 -0.962 9.074 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.857 -3.164 7.938 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.325 -1.739 7.033 1.00 0.00 H new ATOM 180 N LEU A 12 2.791 -1.114 5.850 1.00 0.00 N ATOM 181 CA LEU A 12 2.462 -0.326 4.674 1.00 0.00 C ATOM 182 C LEU A 12 1.318 0.632 4.970 1.00 0.00 C ATOM 183 O LEU A 12 1.486 1.845 4.912 1.00 0.00 O ATOM 184 CB LEU A 12 2.125 -1.262 3.487 1.00 0.00 C ATOM 185 CG LEU A 12 0.747 -1.091 2.810 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.890 -1.064 1.297 1.00 0.00 C ATOM 187 CD2 LEU A 12 -0.199 -2.212 3.216 1.00 0.00 C ATOM 0 H LEU A 12 2.698 -2.121 5.718 1.00 0.00 H new ATOM 0 HA LEU A 12 3.328 0.276 4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.893 -1.128 2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.201 -2.291 3.838 1.00 0.00 H new ATOM 0 HG LEU A 12 0.329 -0.141 3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.092 -0.943 0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.530 -0.231 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.335 -1.999 0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.163 -2.070 2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.223 -3.171 2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.336 -2.199 4.297 1.00 0.00 H new ATOM 199 N GLN A 13 0.157 0.077 5.282 1.00 0.00 N ATOM 200 CA GLN A 13 -1.026 0.882 5.568 1.00 0.00 C ATOM 201 C GLN A 13 -0.719 2.000 6.564 1.00 0.00 C ATOM 202 O GLN A 13 -1.181 3.129 6.400 1.00 0.00 O ATOM 203 CB GLN A 13 -2.153 -0.004 6.104 1.00 0.00 C ATOM 204 CG GLN A 13 -3.516 0.667 6.090 1.00 0.00 C ATOM 205 CD GLN A 13 -4.584 -0.172 6.766 1.00 0.00 C ATOM 206 OE1 GLN A 13 -5.511 -0.656 6.119 1.00 0.00 O ATOM 207 NE2 GLN A 13 -4.456 -0.350 8.076 1.00 0.00 N ATOM 0 H GLN A 13 0.006 -0.930 5.344 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.345 1.345 4.634 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.201 -0.916 5.509 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.915 -0.302 7.125 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.447 1.633 6.590 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.811 0.862 5.059 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.671 0.070 8.573 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.143 -0.907 8.585 1.00 0.00 H new ATOM 216 N GLU A 14 0.070 1.687 7.587 1.00 0.00 N ATOM 217 CA GLU A 14 0.443 2.682 8.588 1.00 0.00 C ATOM 218 C GLU A 14 1.414 3.680 7.986 1.00 0.00 C ATOM 219 O GLU A 14 1.438 4.851 8.364 1.00 0.00 O ATOM 220 CB GLU A 14 1.063 2.004 9.813 1.00 0.00 C ATOM 221 CG GLU A 14 0.196 2.085 11.058 1.00 0.00 C ATOM 222 CD GLU A 14 0.217 3.461 11.694 1.00 0.00 C ATOM 223 OE1 GLU A 14 1.263 4.139 11.611 1.00 0.00 O ATOM 224 OE2 GLU A 14 -0.814 3.861 12.277 1.00 0.00 O ATOM 0 H GLU A 14 0.462 0.759 7.745 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.454 3.212 8.909 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.253 0.956 9.580 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.029 2.464 10.022 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.830 1.824 10.799 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.539 1.348 11.784 1.00 0.00 H new ATOM 231 N VAL A 15 2.198 3.209 7.029 1.00 0.00 N ATOM 232 CA VAL A 15 3.156 4.054 6.349 1.00 0.00 C ATOM 233 C VAL A 15 2.434 5.118 5.534 1.00 0.00 C ATOM 234 O VAL A 15 2.981 6.189 5.267 1.00 0.00 O ATOM 235 CB VAL A 15 4.110 3.207 5.483 1.00 0.00 C ATOM 236 CG1 VAL A 15 3.621 3.030 4.051 1.00 0.00 C ATOM 237 CG2 VAL A 15 5.498 3.808 5.528 1.00 0.00 C ATOM 0 H VAL A 15 2.186 2.241 6.707 1.00 0.00 H new ATOM 0 HA VAL A 15 3.768 4.568 7.091 1.00 0.00 H new ATOM 0 HB VAL A 15 4.137 2.202 5.905 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.337 2.425 3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.651 2.532 4.057 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.525 4.006 3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.173 3.210 4.916 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.466 4.827 5.143 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.856 3.820 6.557 1.00 0.00 H new ATOM 247 N LEU A 16 1.186 4.830 5.174 1.00 0.00 N ATOM 248 CA LEU A 16 0.378 5.783 4.431 1.00 0.00 C ATOM 249 C LEU A 16 0.063 6.980 5.317 1.00 0.00 C ATOM 250 O LEU A 16 -0.031 8.110 4.841 1.00 0.00 O ATOM 251 CB LEU A 16 -0.935 5.155 3.971 1.00 0.00 C ATOM 252 CG LEU A 16 -0.856 4.189 2.789 1.00 0.00 C ATOM 253 CD1 LEU A 16 -0.187 4.842 1.596 1.00 0.00 C ATOM 254 CD2 LEU A 16 -0.119 2.929 3.186 1.00 0.00 C ATOM 0 H LEU A 16 0.718 3.949 5.385 1.00 0.00 H new ATOM 0 HA LEU A 16 0.945 6.094 3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.373 4.624 4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.623 5.959 3.709 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.873 3.922 2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.144 4.133 0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.759 5.718 1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.824 5.145 1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.071 2.251 2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.892 3.184 3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.646 2.443 4.007 1.00 0.00 H new ATOM 266 N LYS A 17 -0.101 6.721 6.619 1.00 0.00 N ATOM 267 CA LYS A 17 -0.404 7.778 7.582 1.00 0.00 C ATOM 268 C LYS A 17 0.442 9.008 7.287 1.00 0.00 C ATOM 269 O LYS A 17 -0.047 10.137 7.305 1.00 0.00 O ATOM 270 CB LYS A 17 -0.147 7.295 9.010 1.00 0.00 C ATOM 271 CG LYS A 17 -0.768 8.186 10.073 1.00 0.00 C ATOM 272 CD LYS A 17 -2.286 8.149 10.014 1.00 0.00 C ATOM 273 CE LYS A 17 -2.838 9.241 9.110 1.00 0.00 C ATOM 274 NZ LYS A 17 -3.881 10.054 9.794 1.00 0.00 N ATOM 0 H LYS A 17 -0.029 5.789 7.027 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.458 8.039 7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.540 6.284 9.119 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.929 7.238 9.178 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.433 7.865 11.059 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.423 9.211 9.937 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.613 7.175 9.650 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.693 8.267 11.018 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.025 9.891 8.788 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.260 8.790 8.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.231 10.787 9.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.669 9.438 10.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.472 10.505 10.637 1.00 0.00 H new ATOM 288 N ASN A 18 1.709 8.765 6.979 1.00 0.00 N ATOM 289 CA ASN A 18 2.629 9.842 6.637 1.00 0.00 C ATOM 290 C ASN A 18 2.164 10.510 5.351 1.00 0.00 C ATOM 291 O ASN A 18 2.063 11.733 5.260 1.00 0.00 O ATOM 292 CB ASN A 18 4.048 9.292 6.443 1.00 0.00 C ATOM 293 CG ASN A 18 4.924 9.506 7.661 1.00 0.00 C ATOM 294 OD1 ASN A 18 4.623 10.334 8.521 1.00 0.00 O ATOM 295 ND2 ASN A 18 6.020 8.759 7.740 1.00 0.00 N ATOM 0 H ASN A 18 2.123 7.833 6.959 1.00 0.00 H new ATOM 0 HA ASN A 18 2.642 10.568 7.450 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.994 8.226 6.221 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.507 9.775 5.580 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.650 8.860 8.536 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.232 8.085 7.005 1.00 0.00 H new ATOM 302 N LEU A 19 1.886 9.670 4.360 1.00 0.00 N ATOM 303 CA LEU A 19 1.426 10.109 3.048 1.00 0.00 C ATOM 304 C LEU A 19 0.285 11.123 3.158 1.00 0.00 C ATOM 305 O LEU A 19 0.379 12.230 2.638 1.00 0.00 O ATOM 306 CB LEU A 19 1.004 8.868 2.245 1.00 0.00 C ATOM 307 CG LEU A 19 -0.232 9.004 1.350 1.00 0.00 C ATOM 308 CD1 LEU A 19 -0.038 8.228 0.054 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.465 8.507 2.081 1.00 0.00 C ATOM 0 H LEU A 19 1.974 8.657 4.446 1.00 0.00 H new ATOM 0 HA LEU A 19 2.237 10.622 2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.844 8.568 1.619 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.825 8.055 2.948 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.370 10.057 1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.925 8.335 -0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.829 8.619 -0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.121 7.174 0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.337 8.609 1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.332 7.459 2.348 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.614 9.096 2.986 1.00 0.00 H new ATOM 321 N HIS A 20 -0.792 10.734 3.825 1.00 0.00 N ATOM 322 CA HIS A 20 -1.958 11.603 3.988 1.00 0.00 C ATOM 323 C HIS A 20 -1.579 13.033 4.380 1.00 0.00 C ATOM 324 O HIS A 20 -2.330 13.972 4.114 1.00 0.00 O ATOM 325 CB HIS A 20 -2.898 11.032 5.056 1.00 0.00 C ATOM 326 CG HIS A 20 -3.614 9.774 4.668 1.00 0.00 C ATOM 327 ND1 HIS A 20 -4.970 9.729 4.423 1.00 0.00 N ATOM 328 CD2 HIS A 20 -3.167 8.504 4.532 1.00 0.00 C ATOM 329 CE1 HIS A 20 -5.326 8.484 4.156 1.00 0.00 C ATOM 330 NE2 HIS A 20 -4.250 7.723 4.215 1.00 0.00 N ATOM 0 H HIS A 20 -0.887 9.819 4.265 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.455 11.640 3.019 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.320 10.838 5.960 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.639 11.790 5.308 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.148 8.168 4.651 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -6.327 8.148 3.928 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -4.227 6.716 4.051 1.00 0.00 H new ATOM 339 N LYS A 21 -0.445 13.194 5.050 1.00 0.00 N ATOM 340 CA LYS A 21 -0.017 14.514 5.515 1.00 0.00 C ATOM 341 C LYS A 21 0.926 15.219 4.549 1.00 0.00 C ATOM 342 O LYS A 21 1.089 16.437 4.622 1.00 0.00 O ATOM 343 CB LYS A 21 0.656 14.388 6.880 1.00 0.00 C ATOM 344 CG LYS A 21 0.014 13.341 7.771 1.00 0.00 C ATOM 345 CD LYS A 21 -1.368 13.784 8.236 1.00 0.00 C ATOM 346 CE LYS A 21 -2.435 13.508 7.186 1.00 0.00 C ATOM 347 NZ LYS A 21 -3.797 13.432 7.784 1.00 0.00 N ATOM 0 H LYS A 21 0.194 12.434 5.284 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.917 15.125 5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.707 14.138 6.737 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.623 15.354 7.384 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.067 12.399 7.229 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.650 13.157 8.637 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.624 13.265 9.159 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.350 14.850 8.464 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.413 14.294 6.431 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.209 12.571 6.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.315 12.631 7.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.718 13.297 8.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.311 14.315 7.590 1.00 0.00 H new ATOM 361 N ASN A 22 1.566 14.471 3.661 1.00 0.00 N ATOM 362 CA ASN A 22 2.504 15.075 2.723 1.00 0.00 C ATOM 363 C ASN A 22 2.141 14.793 1.269 1.00 0.00 C ATOM 364 O ASN A 22 2.769 15.330 0.361 1.00 0.00 O ATOM 365 CB ASN A 22 3.922 14.579 3.010 1.00 0.00 C ATOM 366 CG ASN A 22 4.490 15.171 4.286 1.00 0.00 C ATOM 367 OD1 ASN A 22 4.837 14.448 5.220 1.00 0.00 O ATOM 368 ND2 ASN A 22 4.587 16.495 4.333 1.00 0.00 N ATOM 0 H ASN A 22 1.457 13.461 3.570 1.00 0.00 H new ATOM 0 HA ASN A 22 2.451 16.154 2.866 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.916 13.492 3.087 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.571 14.835 2.173 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.961 16.950 5.166 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.288 17.057 3.536 1.00 0.00 H new ATOM 375 N TRP A 23 1.135 13.958 1.039 1.00 0.00 N ATOM 376 CA TRP A 23 0.735 13.638 -0.325 1.00 0.00 C ATOM 377 C TRP A 23 0.315 14.899 -1.080 1.00 0.00 C ATOM 378 O TRP A 23 0.523 15.009 -2.288 1.00 0.00 O ATOM 379 CB TRP A 23 -0.385 12.590 -0.325 1.00 0.00 C ATOM 380 CG TRP A 23 -1.741 13.154 -0.578 1.00 0.00 C ATOM 381 CD1 TRP A 23 -2.729 13.334 0.328 1.00 0.00 C ATOM 382 CD2 TRP A 23 -2.244 13.603 -1.825 1.00 0.00 C ATOM 383 NE1 TRP A 23 -3.829 13.889 -0.273 1.00 0.00 N ATOM 384 CE2 TRP A 23 -3.555 14.061 -1.609 1.00 0.00 C ATOM 385 CE3 TRP A 23 -1.703 13.664 -3.103 1.00 0.00 C ATOM 386 CZ2 TRP A 23 -4.337 14.575 -2.641 1.00 0.00 C ATOM 387 CZ3 TRP A 23 -2.473 14.168 -4.124 1.00 0.00 C ATOM 388 CH2 TRP A 23 -3.780 14.619 -3.892 1.00 0.00 C ATOM 0 H TRP A 23 0.589 13.497 1.767 1.00 0.00 H new ATOM 0 HA TRP A 23 1.594 13.213 -0.845 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -0.167 11.840 -1.085 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -0.389 12.077 0.637 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -2.661 13.077 1.375 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -4.703 14.133 0.193 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -0.696 13.322 -3.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -5.343 14.925 -2.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -2.064 14.217 -5.122 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -4.359 15.009 -4.716 1.00 0.00 H new ATOM 399 N HIS A 24 -0.274 15.845 -0.359 1.00 0.00 N ATOM 400 CA HIS A 24 -0.724 17.099 -0.955 1.00 0.00 C ATOM 401 C HIS A 24 -1.270 18.034 0.115 1.00 0.00 C ATOM 402 O HIS A 24 -0.855 19.188 0.220 1.00 0.00 O ATOM 403 CB HIS A 24 -1.801 16.832 -2.007 1.00 0.00 C ATOM 404 CG HIS A 24 -2.377 18.078 -2.609 1.00 0.00 C ATOM 405 ND1 HIS A 24 -1.634 18.978 -3.343 1.00 0.00 N ATOM 406 CD2 HIS A 24 -3.638 18.572 -2.579 1.00 0.00 C ATOM 407 CE1 HIS A 24 -2.411 19.971 -3.738 1.00 0.00 C ATOM 408 NE2 HIS A 24 -3.632 19.748 -3.288 1.00 0.00 N ATOM 0 H HIS A 24 -0.452 15.768 0.642 1.00 0.00 H new ATOM 0 HA HIS A 24 0.131 17.575 -1.435 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.376 16.218 -2.801 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -2.605 16.253 -1.552 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -4.490 18.124 -2.089 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -2.100 20.820 -4.328 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -4.440 20.351 -3.442 1.00 0.00 H new ATOM 417 N GLY A 25 -2.203 17.525 0.909 1.00 0.00 N ATOM 418 CA GLY A 25 -2.794 18.326 1.962 1.00 0.00 C ATOM 419 C GLY A 25 -4.227 17.941 2.259 1.00 0.00 C ATOM 420 O GLY A 25 -5.056 17.851 1.353 1.00 0.00 O ATOM 0 H GLY A 25 -2.561 16.572 0.842 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.199 18.221 2.869 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.757 19.377 1.677 1.00 0.00 H new ATOM 424 N GLY A 26 -4.518 17.719 3.534 1.00 0.00 N ATOM 425 CA GLY A 26 -5.860 17.348 3.934 1.00 0.00 C ATOM 426 C GLY A 26 -6.215 15.939 3.518 1.00 0.00 C ATOM 427 O GLY A 26 -6.302 15.638 2.327 1.00 0.00 O ATOM 0 H GLY A 26 -3.847 17.790 4.299 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.952 17.439 5.016 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.573 18.045 3.494 1.00 0.00 H new ATOM 431 N LYS A 27 -6.428 15.071 4.500 1.00 0.00 N ATOM 432 CA LYS A 27 -6.781 13.685 4.230 1.00 0.00 C ATOM 433 C LYS A 27 -8.067 13.601 3.407 1.00 0.00 C ATOM 434 O LYS A 27 -8.351 12.574 2.794 1.00 0.00 O ATOM 435 CB LYS A 27 -6.933 12.911 5.544 1.00 0.00 C ATOM 436 CG LYS A 27 -7.667 11.586 5.402 1.00 0.00 C ATOM 437 CD LYS A 27 -7.260 10.602 6.488 1.00 0.00 C ATOM 438 CE LYS A 27 -8.472 10.006 7.185 1.00 0.00 C ATOM 439 NZ LYS A 27 -8.090 8.926 8.137 1.00 0.00 N ATOM 0 H LYS A 27 -6.362 15.304 5.491 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.977 13.233 3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.943 12.723 5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.466 13.535 6.261 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.742 11.758 5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.457 11.156 4.423 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.662 9.803 6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.630 11.107 7.220 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.005 10.791 7.721 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.159 9.606 6.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.945 8.546 8.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.604 8.165 7.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.454 9.313 8.864 1.00 0.00 H new ATOM 453 N ASP A 28 -8.842 14.683 3.398 1.00 0.00 N ATOM 454 CA ASP A 28 -10.092 14.719 2.646 1.00 0.00 C ATOM 455 C ASP A 28 -9.870 14.288 1.198 1.00 0.00 C ATOM 456 O ASP A 28 -10.704 13.596 0.615 1.00 0.00 O ATOM 457 CB ASP A 28 -10.699 16.124 2.688 1.00 0.00 C ATOM 458 CG ASP A 28 -12.190 16.099 2.961 1.00 0.00 C ATOM 459 OD1 ASP A 28 -12.814 15.037 2.755 1.00 0.00 O ATOM 460 OD2 ASP A 28 -12.734 17.142 3.381 1.00 0.00 O ATOM 0 H ASP A 28 -8.627 15.544 3.902 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.786 14.019 3.111 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.200 16.710 3.460 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.514 16.626 1.738 1.00 0.00 H new ATOM 465 N ASN A 29 -8.740 14.693 0.627 1.00 0.00 N ATOM 466 CA ASN A 29 -8.417 14.336 -0.749 1.00 0.00 C ATOM 467 C ASN A 29 -7.780 12.954 -0.805 1.00 0.00 C ATOM 468 O ASN A 29 -8.138 12.128 -1.644 1.00 0.00 O ATOM 469 CB ASN A 29 -7.484 15.377 -1.366 1.00 0.00 C ATOM 470 CG ASN A 29 -8.044 16.782 -1.274 1.00 0.00 C ATOM 471 OD1 ASN A 29 -9.193 17.029 -1.640 1.00 0.00 O ATOM 472 ND2 ASN A 29 -7.233 17.712 -0.784 1.00 0.00 N ATOM 0 H ASN A 29 -8.036 15.266 1.093 1.00 0.00 H new ATOM 0 HA ASN A 29 -9.342 14.315 -1.326 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -6.519 15.340 -0.861 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -7.307 15.127 -2.412 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -7.555 18.676 -0.699 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -6.288 17.462 -0.493 1.00 0.00 H new ATOM 479 N LEU A 30 -6.844 12.700 0.105 1.00 0.00 N ATOM 480 CA LEU A 30 -6.176 11.407 0.165 1.00 0.00 C ATOM 481 C LEU A 30 -7.187 10.308 0.462 1.00 0.00 C ATOM 482 O LEU A 30 -6.996 9.154 0.083 1.00 0.00 O ATOM 483 CB LEU A 30 -5.092 11.414 1.243 1.00 0.00 C ATOM 484 CG LEU A 30 -3.987 10.367 1.070 1.00 0.00 C ATOM 485 CD1 LEU A 30 -4.523 8.976 1.365 1.00 0.00 C ATOM 486 CD2 LEU A 30 -3.388 10.418 -0.330 1.00 0.00 C ATOM 0 H LEU A 30 -6.533 13.371 0.808 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.711 11.215 -0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.633 12.402 1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.566 11.260 2.212 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.195 10.598 1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.725 8.244 1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.890 8.938 2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.338 8.747 0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.607 9.663 -0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.167 10.223 -1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.960 11.405 -0.507 1.00 0.00 H new ATOM 498 N HIS A 31 -8.270 10.679 1.144 1.00 0.00 N ATOM 499 CA HIS A 31 -9.319 9.730 1.494 1.00 0.00 C ATOM 500 C HIS A 31 -9.728 8.910 0.278 1.00 0.00 C ATOM 501 O HIS A 31 -10.030 7.723 0.392 1.00 0.00 O ATOM 502 CB HIS A 31 -10.532 10.468 2.067 1.00 0.00 C ATOM 503 CG HIS A 31 -11.009 9.911 3.373 1.00 0.00 C ATOM 504 ND1 HIS A 31 -10.741 8.622 3.786 1.00 0.00 N ATOM 505 CD2 HIS A 31 -11.742 10.475 4.363 1.00 0.00 C ATOM 506 CE1 HIS A 31 -11.290 8.418 4.971 1.00 0.00 C ATOM 507 NE2 HIS A 31 -11.901 9.527 5.343 1.00 0.00 N ATOM 0 H HIS A 31 -8.441 11.632 1.464 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.930 9.051 2.253 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -10.278 11.519 2.201 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.347 10.427 1.344 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -12.129 11.483 4.378 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -11.246 7.500 5.538 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -12.409 9.659 6.217 1.00 0.00 H new ATOM 516 N ASP A 32 -9.730 9.547 -0.888 1.00 0.00 N ATOM 517 CA ASP A 32 -10.095 8.866 -2.125 1.00 0.00 C ATOM 518 C ASP A 32 -8.961 7.968 -2.609 1.00 0.00 C ATOM 519 O ASP A 32 -9.188 6.990 -3.322 1.00 0.00 O ATOM 520 CB ASP A 32 -10.465 9.885 -3.207 1.00 0.00 C ATOM 521 CG ASP A 32 -11.959 9.944 -3.459 1.00 0.00 C ATOM 522 OD1 ASP A 32 -12.564 8.877 -3.698 1.00 0.00 O ATOM 523 OD2 ASP A 32 -12.526 11.057 -3.418 1.00 0.00 O ATOM 0 H ASP A 32 -9.484 10.530 -1.003 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.963 8.239 -1.922 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.110 10.872 -2.909 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.953 9.628 -4.134 1.00 0.00 H new ATOM 528 N VAL A 33 -7.743 8.307 -2.211 1.00 0.00 N ATOM 529 CA VAL A 33 -6.568 7.537 -2.591 1.00 0.00 C ATOM 530 C VAL A 33 -6.323 6.402 -1.603 1.00 0.00 C ATOM 531 O VAL A 33 -6.273 5.235 -1.988 1.00 0.00 O ATOM 532 CB VAL A 33 -5.331 8.449 -2.673 1.00 0.00 C ATOM 533 CG1 VAL A 33 -4.058 7.719 -2.271 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.188 9.001 -4.073 1.00 0.00 C ATOM 0 H VAL A 33 -7.543 9.115 -1.622 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.749 7.103 -3.575 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.479 9.268 -1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.210 8.400 -2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.151 7.363 -1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.900 6.870 -2.936 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.310 9.645 -4.122 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.074 8.178 -4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.076 9.578 -4.329 1.00 0.00 H new ATOM 544 N ASP A 34 -6.181 6.744 -0.327 1.00 0.00 N ATOM 545 CA ASP A 34 -5.955 5.734 0.695 1.00 0.00 C ATOM 546 C ASP A 34 -7.115 4.741 0.704 1.00 0.00 C ATOM 547 O ASP A 34 -6.945 3.583 1.085 1.00 0.00 O ATOM 548 CB ASP A 34 -5.758 6.383 2.072 1.00 0.00 C ATOM 549 CG ASP A 34 -6.154 5.473 3.223 1.00 0.00 C ATOM 550 OD1 ASP A 34 -5.429 4.487 3.477 1.00 0.00 O ATOM 551 OD2 ASP A 34 -7.188 5.748 3.868 1.00 0.00 O ATOM 0 H ASP A 34 -6.218 7.703 0.020 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.039 5.191 0.462 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.712 6.669 2.186 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.346 7.299 2.122 1.00 0.00 H new ATOM 556 N ASN A 35 -8.288 5.188 0.246 1.00 0.00 N ATOM 557 CA ASN A 35 -9.447 4.308 0.175 1.00 0.00 C ATOM 558 C ASN A 35 -9.103 3.126 -0.713 1.00 0.00 C ATOM 559 O ASN A 35 -9.431 1.979 -0.406 1.00 0.00 O ATOM 560 CB ASN A 35 -10.669 5.047 -0.376 1.00 0.00 C ATOM 561 CG ASN A 35 -11.695 5.351 0.700 1.00 0.00 C ATOM 562 OD1 ASN A 35 -12.855 4.712 0.606 1.00 0.00 O flip ATOM 563 ND2 ASN A 35 -11.448 6.148 1.604 1.00 0.00 N flip ATOM 0 H ASN A 35 -8.455 6.141 -0.076 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.697 3.963 1.178 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.347 5.979 -0.841 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.133 4.444 -1.157 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.543 6.617 1.637 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.148 6.340 2.320 1.00 0.00 H new ATOM 570 N HIS A 36 -8.395 3.419 -1.801 1.00 0.00 N ATOM 571 CA HIS A 36 -7.951 2.386 -2.720 1.00 0.00 C ATOM 572 C HIS A 36 -6.994 1.466 -1.981 1.00 0.00 C ATOM 573 O HIS A 36 -7.152 0.246 -1.987 1.00 0.00 O ATOM 574 CB HIS A 36 -7.258 3.010 -3.934 1.00 0.00 C ATOM 575 CG HIS A 36 -8.164 3.197 -5.111 1.00 0.00 C ATOM 576 ND1 HIS A 36 -7.888 3.453 -6.412 1.00 0.00 N flip ATOM 577 CD2 HIS A 36 -9.539 3.130 -5.020 1.00 0.00 C flip ATOM 578 CE1 HIS A 36 -9.088 3.534 -7.074 1.00 0.00 C flip ATOM 579 NE2 HIS A 36 -10.068 3.335 -6.213 1.00 0.00 N flip ATOM 0 H HIS A 36 -8.119 4.365 -2.064 1.00 0.00 H new ATOM 0 HA HIS A 36 -8.809 1.819 -3.080 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -6.843 3.977 -3.648 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.420 2.378 -4.228 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -10.096 2.940 -4.115 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -9.210 3.729 -8.129 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -11.064 3.339 -6.431 1.00 0.00 H new ATOM 588 N LEU A 37 -6.016 2.076 -1.314 1.00 0.00 N ATOM 589 CA LEU A 37 -5.040 1.329 -0.528 1.00 0.00 C ATOM 590 C LEU A 37 -5.742 0.446 0.498 1.00 0.00 C ATOM 591 O LEU A 37 -5.711 -0.779 0.403 1.00 0.00 O ATOM 592 CB LEU A 37 -4.096 2.289 0.196 1.00 0.00 C ATOM 593 CG LEU A 37 -2.751 1.699 0.637 1.00 0.00 C ATOM 594 CD1 LEU A 37 -2.831 0.188 0.819 1.00 0.00 C ATOM 595 CD2 LEU A 37 -1.667 2.057 -0.367 1.00 0.00 C ATOM 0 H LEU A 37 -5.880 3.087 -1.303 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.466 0.700 -1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.901 3.139 -0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.608 2.676 1.077 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.498 2.133 1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.859 -0.193 1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.575 -0.048 1.580 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.117 -0.277 -0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.717 1.633 -0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.930 1.654 -1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.576 3.141 -0.433 1.00 0.00 H new ATOM 607 N GLN A 38 -6.371 1.084 1.483 1.00 0.00 N ATOM 608 CA GLN A 38 -7.087 0.365 2.535 1.00 0.00 C ATOM 609 C GLN A 38 -7.955 -0.743 1.947 1.00 0.00 C ATOM 610 O GLN A 38 -7.997 -1.857 2.469 1.00 0.00 O ATOM 611 CB GLN A 38 -7.955 1.332 3.344 1.00 0.00 C ATOM 612 CG GLN A 38 -8.061 0.970 4.816 1.00 0.00 C ATOM 613 CD GLN A 38 -9.308 0.169 5.130 1.00 0.00 C ATOM 614 OE1 GLN A 38 -10.360 0.368 4.521 1.00 0.00 O ATOM 615 NE2 GLN A 38 -9.198 -0.746 6.088 1.00 0.00 N ATOM 0 H GLN A 38 -6.399 2.099 1.575 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.348 -0.089 3.195 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.544 2.337 3.255 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.955 1.357 2.912 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.182 0.397 5.110 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.060 1.883 5.412 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.307 -0.878 6.567 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -10.004 -1.316 6.344 1.00 0.00 H new ATOM 624 N ASN A 39 -8.638 -0.430 0.851 1.00 0.00 N ATOM 625 CA ASN A 39 -9.494 -1.403 0.186 1.00 0.00 C ATOM 626 C ASN A 39 -8.669 -2.586 -0.304 1.00 0.00 C ATOM 627 O ASN A 39 -9.154 -3.714 -0.362 1.00 0.00 O ATOM 628 CB ASN A 39 -10.233 -0.756 -0.987 1.00 0.00 C ATOM 629 CG ASN A 39 -11.529 -0.096 -0.559 1.00 0.00 C ATOM 630 OD1 ASN A 39 -11.566 0.649 0.420 1.00 0.00 O ATOM 631 ND2 ASN A 39 -12.602 -0.367 -1.293 1.00 0.00 N ATOM 0 H ASN A 39 -8.615 0.488 0.406 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.230 -1.761 0.906 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.587 -0.013 -1.455 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.446 -1.513 -1.741 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.502 0.048 -1.053 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.526 -0.990 -2.097 1.00 0.00 H new ATOM 638 N VAL A 40 -7.413 -2.321 -0.646 1.00 0.00 N ATOM 639 CA VAL A 40 -6.518 -3.367 -1.116 1.00 0.00 C ATOM 640 C VAL A 40 -6.267 -4.386 -0.011 1.00 0.00 C ATOM 641 O VAL A 40 -6.444 -5.583 -0.211 1.00 0.00 O ATOM 642 CB VAL A 40 -5.166 -2.793 -1.591 1.00 0.00 C ATOM 643 CG1 VAL A 40 -4.261 -3.900 -2.110 1.00 0.00 C ATOM 644 CG2 VAL A 40 -5.380 -1.729 -2.657 1.00 0.00 C ATOM 0 H VAL A 40 -6.994 -1.392 -0.606 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.005 -3.850 -1.963 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.675 -2.327 -0.736 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.314 -3.472 -2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.076 -4.622 -1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.744 -4.401 -2.949 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.415 -1.337 -2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.896 -2.168 -3.511 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.982 -0.919 -2.246 1.00 0.00 H new ATOM 654 N ILE A 41 -5.854 -3.895 1.155 1.00 0.00 N ATOM 655 CA ILE A 41 -5.573 -4.756 2.304 1.00 0.00 C ATOM 656 C ILE A 41 -6.639 -5.843 2.472 1.00 0.00 C ATOM 657 O ILE A 41 -6.319 -6.992 2.767 1.00 0.00 O ATOM 658 CB ILE A 41 -5.453 -3.922 3.604 1.00 0.00 C ATOM 659 CG1 ILE A 41 -4.014 -3.430 3.785 1.00 0.00 C ATOM 660 CG2 ILE A 41 -5.894 -4.723 4.826 1.00 0.00 C ATOM 661 CD1 ILE A 41 -3.479 -2.662 2.595 1.00 0.00 C ATOM 0 H ILE A 41 -5.706 -2.901 1.331 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.619 -5.247 2.112 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.117 -3.063 3.512 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.965 -2.794 4.669 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.367 -4.287 3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.796 -4.107 5.720 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.934 -5.026 4.706 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.267 -5.609 4.926 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.455 -2.346 2.796 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.494 -3.302 1.712 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.102 -1.785 2.418 1.00 0.00 H new ATOM 673 N GLU A 42 -7.901 -5.480 2.281 1.00 0.00 N ATOM 674 CA GLU A 42 -8.993 -6.441 2.412 1.00 0.00 C ATOM 675 C GLU A 42 -9.000 -7.400 1.233 1.00 0.00 C ATOM 676 O GLU A 42 -9.422 -8.548 1.355 1.00 0.00 O ATOM 677 CB GLU A 42 -10.341 -5.717 2.537 1.00 0.00 C ATOM 678 CG GLU A 42 -10.860 -5.127 1.232 1.00 0.00 C ATOM 679 CD GLU A 42 -12.298 -5.515 0.949 1.00 0.00 C ATOM 680 OE1 GLU A 42 -12.594 -6.728 0.934 1.00 0.00 O ATOM 681 OE2 GLU A 42 -13.128 -4.605 0.742 1.00 0.00 O ATOM 0 H GLU A 42 -8.194 -4.534 2.036 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.836 -7.020 3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.081 -6.417 2.925 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.243 -4.917 3.270 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.782 -4.041 1.272 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.228 -5.462 0.409 1.00 0.00 H new ATOM 688 N ASP A 43 -8.510 -6.929 0.096 1.00 0.00 N ATOM 689 CA ASP A 43 -8.438 -7.754 -1.095 1.00 0.00 C ATOM 690 C ASP A 43 -7.171 -8.598 -1.065 1.00 0.00 C ATOM 691 O ASP A 43 -7.133 -9.692 -1.615 1.00 0.00 O ATOM 692 CB ASP A 43 -8.464 -6.885 -2.353 1.00 0.00 C ATOM 693 CG ASP A 43 -9.867 -6.698 -2.898 1.00 0.00 C ATOM 694 OD1 ASP A 43 -10.793 -6.476 -2.091 1.00 0.00 O ATOM 695 OD2 ASP A 43 -10.038 -6.775 -4.133 1.00 0.00 O ATOM 0 H ASP A 43 -8.157 -5.980 -0.024 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.305 -8.414 -1.115 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.032 -5.910 -2.127 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.837 -7.341 -3.119 1.00 0.00 H new ATOM 700 N ILE A 44 -6.135 -8.084 -0.407 1.00 0.00 N ATOM 701 CA ILE A 44 -4.871 -8.798 -0.299 1.00 0.00 C ATOM 702 C ILE A 44 -4.881 -9.749 0.895 1.00 0.00 C ATOM 703 O ILE A 44 -4.353 -10.857 0.822 1.00 0.00 O ATOM 704 CB ILE A 44 -3.675 -7.830 -0.159 1.00 0.00 C ATOM 705 CG1 ILE A 44 -3.778 -6.690 -1.174 1.00 0.00 C ATOM 706 CG2 ILE A 44 -2.364 -8.575 -0.345 1.00 0.00 C ATOM 707 CD1 ILE A 44 -3.954 -7.162 -2.602 1.00 0.00 C ATOM 0 H ILE A 44 -6.148 -7.176 0.058 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.755 -9.368 -1.221 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.700 -7.405 0.844 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.619 -6.051 -0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.879 -6.077 -1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.532 -7.878 -0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.278 -9.355 0.411 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.340 -9.027 -1.337 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.020 -6.299 -3.265 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.101 -7.777 -2.890 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.868 -7.750 -2.681 1.00 0.00 H new ATOM 719 N HIS A 45 -5.478 -9.302 1.996 1.00 0.00 N ATOM 720 CA HIS A 45 -5.550 -10.107 3.211 1.00 0.00 C ATOM 721 C HIS A 45 -6.629 -11.176 3.113 1.00 0.00 C ATOM 722 O HIS A 45 -6.459 -12.287 3.614 1.00 0.00 O ATOM 723 CB HIS A 45 -5.802 -9.214 4.424 1.00 0.00 C ATOM 724 CG HIS A 45 -4.740 -8.180 4.614 1.00 0.00 C ATOM 725 ND1 HIS A 45 -4.494 -7.555 5.816 1.00 0.00 N ATOM 726 CD2 HIS A 45 -3.854 -7.665 3.733 1.00 0.00 C ATOM 727 CE1 HIS A 45 -3.500 -6.696 5.666 1.00 0.00 C ATOM 728 NE2 HIS A 45 -3.094 -6.744 4.410 1.00 0.00 N ATOM 0 H HIS A 45 -5.919 -8.386 2.072 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.591 -10.612 3.330 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.767 -8.720 4.311 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.863 -9.833 5.319 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -4.999 -7.727 6.685 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.761 -7.929 2.690 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -3.090 -6.063 6.439 1.00 0.00 H new ATOM 737 N ASP A 46 -7.739 -10.843 2.468 1.00 0.00 N ATOM 738 CA ASP A 46 -8.831 -11.792 2.314 1.00 0.00 C ATOM 739 C ASP A 46 -8.502 -12.814 1.235 1.00 0.00 C ATOM 740 O ASP A 46 -8.989 -13.944 1.271 1.00 0.00 O ATOM 741 CB ASP A 46 -10.131 -11.066 1.968 1.00 0.00 C ATOM 742 CG ASP A 46 -11.346 -11.965 2.100 1.00 0.00 C ATOM 743 OD1 ASP A 46 -11.409 -12.986 1.384 1.00 0.00 O ATOM 744 OD2 ASP A 46 -12.233 -11.647 2.919 1.00 0.00 O ATOM 0 H ASP A 46 -7.906 -9.929 2.046 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.964 -12.313 3.262 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.248 -10.203 2.623 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.072 -10.686 0.948 1.00 0.00 H new ATOM 749 N PHE A 47 -7.674 -12.413 0.274 1.00 0.00 N ATOM 750 CA PHE A 47 -7.294 -13.315 -0.816 1.00 0.00 C ATOM 751 C PHE A 47 -6.064 -14.151 -0.462 1.00 0.00 C ATOM 752 O PHE A 47 -6.023 -15.349 -0.737 1.00 0.00 O ATOM 753 CB PHE A 47 -7.039 -12.540 -2.111 1.00 0.00 C ATOM 754 CG PHE A 47 -8.290 -12.186 -2.878 1.00 0.00 C ATOM 755 CD1 PHE A 47 -9.401 -13.019 -2.859 1.00 0.00 C ATOM 756 CD2 PHE A 47 -8.352 -11.017 -3.621 1.00 0.00 C ATOM 757 CE1 PHE A 47 -10.543 -12.690 -3.564 1.00 0.00 C ATOM 758 CE2 PHE A 47 -9.492 -10.685 -4.327 1.00 0.00 C ATOM 759 CZ PHE A 47 -10.589 -11.523 -4.299 1.00 0.00 C ATOM 0 H PHE A 47 -7.257 -11.483 0.225 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.133 -13.993 -0.969 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.501 -11.623 -1.872 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.388 -13.133 -2.754 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.372 -13.934 -2.287 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.497 -10.357 -3.648 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.400 -13.347 -3.540 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.525 -9.770 -4.901 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.481 -11.266 -4.851 1.00 0.00 H new ATOM 769 N MET A 48 -5.059 -13.516 0.139 1.00 0.00 N ATOM 770 CA MET A 48 -3.827 -14.212 0.515 1.00 0.00 C ATOM 771 C MET A 48 -4.125 -15.536 1.217 1.00 0.00 C ATOM 772 O MET A 48 -3.342 -16.483 1.136 1.00 0.00 O ATOM 773 CB MET A 48 -2.976 -13.329 1.428 1.00 0.00 C ATOM 774 CG MET A 48 -3.635 -13.035 2.762 1.00 0.00 C ATOM 775 SD MET A 48 -2.569 -12.116 3.885 1.00 0.00 S ATOM 776 CE MET A 48 -3.669 -11.931 5.285 1.00 0.00 C ATOM 0 H MET A 48 -5.072 -12.524 0.376 1.00 0.00 H new ATOM 0 HA MET A 48 -3.277 -14.426 -0.402 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.018 -13.817 1.604 1.00 0.00 H new ATOM 0 HB3 MET A 48 -2.766 -12.388 0.919 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.550 -12.467 2.592 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.926 -13.974 3.232 1.00 0.00 H new ATOM 0 HE1 MET A 48 -3.943 -10.882 5.397 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.568 -12.525 5.122 1.00 0.00 H new ATOM 0 HE3 MET A 48 -3.167 -12.273 6.190 1.00 0.00 H new ATOM 786 N GLN A 49 -5.259 -15.594 1.908 1.00 0.00 N ATOM 787 CA GLN A 49 -5.654 -16.799 2.628 1.00 0.00 C ATOM 788 C GLN A 49 -6.004 -17.926 1.662 1.00 0.00 C ATOM 789 O GLN A 49 -5.862 -19.104 1.992 1.00 0.00 O ATOM 790 CB GLN A 49 -6.848 -16.505 3.538 1.00 0.00 C ATOM 791 CG GLN A 49 -6.454 -15.942 4.894 1.00 0.00 C ATOM 792 CD GLN A 49 -7.440 -16.312 5.987 1.00 0.00 C ATOM 793 OE1 GLN A 49 -8.587 -15.867 5.980 1.00 0.00 O ATOM 794 NE2 GLN A 49 -6.994 -17.130 6.933 1.00 0.00 N ATOM 0 H GLN A 49 -5.920 -14.821 1.984 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.808 -17.119 3.237 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.510 -15.798 3.038 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.416 -17.423 3.686 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.464 -16.310 5.163 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.383 -14.856 4.826 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.035 -17.475 6.898 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.611 -17.414 7.694 1.00 0.00 H new ATOM 803 N GLY A 50 -6.461 -17.560 0.471 1.00 0.00 N ATOM 804 CA GLY A 50 -6.823 -18.555 -0.520 1.00 0.00 C ATOM 805 C GLY A 50 -8.066 -18.178 -1.309 1.00 0.00 C ATOM 806 O GLY A 50 -8.368 -18.797 -2.330 1.00 0.00 O ATOM 0 H GLY A 50 -6.587 -16.592 0.174 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.990 -18.694 -1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.990 -19.511 -0.024 1.00 0.00 H new ATOM 810 N GLY A 51 -8.788 -17.163 -0.838 1.00 0.00 N ATOM 811 CA GLY A 51 -9.993 -16.731 -1.523 1.00 0.00 C ATOM 812 C GLY A 51 -9.748 -16.391 -2.982 1.00 0.00 C ATOM 813 O GLY A 51 -10.672 -16.412 -3.795 1.00 0.00 O ATOM 0 H GLY A 51 -8.560 -16.634 0.004 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.744 -17.518 -1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.402 -15.858 -1.014 1.00 0.00 H new ATOM 817 N GLY A 52 -8.500 -16.076 -3.314 1.00 0.00 N ATOM 818 CA GLY A 52 -8.159 -15.734 -4.682 1.00 0.00 C ATOM 819 C GLY A 52 -6.923 -14.860 -4.765 1.00 0.00 C ATOM 820 O GLY A 52 -6.959 -13.775 -5.346 1.00 0.00 O ATOM 0 H GLY A 52 -7.718 -16.052 -2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.994 -16.648 -5.252 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.999 -15.216 -5.145 1.00 0.00 H new ATOM 824 N SER A 53 -5.831 -15.332 -4.176 1.00 0.00 N ATOM 825 CA SER A 53 -4.577 -14.588 -4.176 1.00 0.00 C ATOM 826 C SER A 53 -3.878 -14.674 -5.532 1.00 0.00 C ATOM 827 O SER A 53 -3.026 -13.844 -5.852 1.00 0.00 O ATOM 828 CB SER A 53 -3.650 -15.112 -3.078 1.00 0.00 C ATOM 829 OG SER A 53 -2.790 -14.092 -2.602 1.00 0.00 O ATOM 0 H SER A 53 -5.788 -16.228 -3.691 1.00 0.00 H new ATOM 0 HA SER A 53 -4.811 -13.542 -3.981 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.245 -15.504 -2.253 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.056 -15.940 -3.465 1.00 0.00 H new ATOM 0 HG SER A 53 -2.507 -13.527 -3.351 1.00 0.00 H new ATOM 835 N GLY A 54 -4.237 -15.679 -6.324 1.00 0.00 N ATOM 836 CA GLY A 54 -3.628 -15.846 -7.630 1.00 0.00 C ATOM 837 C GLY A 54 -4.364 -15.086 -8.716 1.00 0.00 C ATOM 838 O GLY A 54 -5.066 -15.680 -9.534 1.00 0.00 O ATOM 0 H GLY A 54 -4.938 -16.380 -6.085 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.593 -15.506 -7.591 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.606 -16.906 -7.884 1.00 0.00 H new ATOM 842 N GLY A 55 -4.203 -13.767 -8.724 1.00 0.00 N ATOM 843 CA GLY A 55 -4.861 -12.942 -9.720 1.00 0.00 C ATOM 844 C GLY A 55 -5.274 -11.588 -9.176 1.00 0.00 C ATOM 845 O GLY A 55 -5.546 -10.662 -9.940 1.00 0.00 O ATOM 0 H GLY A 55 -3.627 -13.254 -8.057 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.191 -12.800 -10.568 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.742 -13.463 -10.094 1.00 0.00 H new ATOM 849 N LYS A 56 -5.324 -11.470 -7.854 1.00 0.00 N ATOM 850 CA LYS A 56 -5.705 -10.218 -7.211 1.00 0.00 C ATOM 851 C LYS A 56 -4.494 -9.323 -6.995 1.00 0.00 C ATOM 852 O LYS A 56 -4.555 -8.120 -7.229 1.00 0.00 O ATOM 853 CB LYS A 56 -6.397 -10.494 -5.875 1.00 0.00 C ATOM 854 CG LYS A 56 -5.533 -11.260 -4.884 1.00 0.00 C ATOM 855 CD LYS A 56 -4.845 -10.324 -3.903 1.00 0.00 C ATOM 856 CE LYS A 56 -3.561 -10.930 -3.361 1.00 0.00 C ATOM 857 NZ LYS A 56 -3.804 -11.765 -2.152 1.00 0.00 N ATOM 0 H LYS A 56 -5.105 -12.227 -7.206 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.400 -9.700 -7.871 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.694 -9.546 -5.427 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.311 -11.059 -6.059 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.150 -11.972 -4.337 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.783 -11.837 -5.424 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.622 -9.378 -4.397 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.520 -10.101 -3.077 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.093 -11.539 -4.134 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.859 -10.133 -3.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.091 -11.544 -1.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.752 -11.564 -1.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.739 -12.771 -2.406 1.00 0.00 H new ATOM 871 N LEU A 57 -3.395 -9.913 -6.546 1.00 0.00 N ATOM 872 CA LEU A 57 -2.180 -9.153 -6.296 1.00 0.00 C ATOM 873 C LEU A 57 -1.613 -8.553 -7.582 1.00 0.00 C ATOM 874 O LEU A 57 -0.706 -7.732 -7.531 1.00 0.00 O ATOM 875 CB LEU A 57 -1.126 -10.029 -5.625 1.00 0.00 C ATOM 876 CG LEU A 57 0.214 -9.342 -5.368 1.00 0.00 C ATOM 877 CD1 LEU A 57 0.016 -8.073 -4.555 1.00 0.00 C ATOM 878 CD2 LEU A 57 1.168 -10.287 -4.657 1.00 0.00 C ATOM 0 H LEU A 57 -3.320 -10.911 -6.348 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.444 -8.333 -5.628 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.523 -10.386 -4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.954 -10.907 -6.248 1.00 0.00 H new ATOM 0 HG LEU A 57 0.651 -9.069 -6.329 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.981 -7.597 -4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.633 -7.388 -5.101 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.443 -8.322 -3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.118 -9.781 -4.482 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.737 -10.590 -3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.335 -11.169 -5.276 1.00 0.00 H new ATOM 890 N GLN A 58 -2.141 -8.956 -8.732 1.00 0.00 N ATOM 891 CA GLN A 58 -1.657 -8.423 -9.999 1.00 0.00 C ATOM 892 C GLN A 58 -2.370 -7.121 -10.348 1.00 0.00 C ATOM 893 O GLN A 58 -1.730 -6.119 -10.665 1.00 0.00 O ATOM 894 CB GLN A 58 -1.822 -9.445 -11.130 1.00 0.00 C ATOM 895 CG GLN A 58 -3.155 -10.176 -11.114 1.00 0.00 C ATOM 896 CD GLN A 58 -3.367 -11.025 -12.352 1.00 0.00 C ATOM 897 OE1 GLN A 58 -2.416 -11.553 -12.929 1.00 0.00 O ATOM 898 NE2 GLN A 58 -4.621 -11.161 -12.769 1.00 0.00 N ATOM 0 H GLN A 58 -2.893 -9.640 -8.813 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.593 -8.214 -9.885 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.711 -8.934 -12.086 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.017 -10.177 -11.064 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.207 -10.810 -10.229 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.963 -9.449 -11.033 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.380 -10.706 -12.261 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.825 -11.720 -13.597 1.00 0.00 H new ATOM 907 N GLU A 59 -3.695 -7.139 -10.276 1.00 0.00 N ATOM 908 CA GLU A 59 -4.490 -5.954 -10.573 1.00 0.00 C ATOM 909 C GLU A 59 -4.650 -5.097 -9.324 1.00 0.00 C ATOM 910 O GLU A 59 -4.771 -3.875 -9.407 1.00 0.00 O ATOM 911 CB GLU A 59 -5.861 -6.355 -11.121 1.00 0.00 C ATOM 912 CG GLU A 59 -5.999 -6.152 -12.621 1.00 0.00 C ATOM 913 CD GLU A 59 -6.238 -4.702 -12.994 1.00 0.00 C ATOM 914 OE1 GLU A 59 -7.048 -4.040 -12.312 1.00 0.00 O ATOM 915 OE2 GLU A 59 -5.615 -4.229 -13.968 1.00 0.00 O ATOM 0 H GLU A 59 -4.241 -7.960 -10.015 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.970 -5.370 -11.332 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.045 -7.403 -10.886 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.631 -5.775 -10.612 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.095 -6.506 -13.116 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.825 -6.759 -12.992 1.00 0.00 H new ATOM 922 N MET A 60 -4.650 -5.749 -8.167 1.00 0.00 N ATOM 923 CA MET A 60 -4.794 -5.049 -6.898 1.00 0.00 C ATOM 924 C MET A 60 -3.482 -4.392 -6.489 1.00 0.00 C ATOM 925 O MET A 60 -3.483 -3.345 -5.841 1.00 0.00 O ATOM 926 CB MET A 60 -5.261 -6.008 -5.801 1.00 0.00 C ATOM 927 CG MET A 60 -5.931 -5.312 -4.629 1.00 0.00 C ATOM 928 SD MET A 60 -7.706 -5.107 -4.868 1.00 0.00 S ATOM 929 CE MET A 60 -7.906 -3.376 -4.456 1.00 0.00 C ATOM 0 H MET A 60 -4.552 -6.761 -8.082 1.00 0.00 H new ATOM 0 HA MET A 60 -5.547 -4.272 -7.029 1.00 0.00 H new ATOM 0 HB2 MET A 60 -5.957 -6.728 -6.232 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.404 -6.573 -5.435 1.00 0.00 H new ATOM 0 HG2 MET A 60 -5.754 -5.887 -3.720 1.00 0.00 H new ATOM 0 HG3 MET A 60 -5.473 -4.334 -4.481 1.00 0.00 H new ATOM 0 HE1 MET A 60 -8.792 -2.983 -4.955 1.00 0.00 H new ATOM 0 HE2 MET A 60 -8.020 -3.270 -3.377 1.00 0.00 H new ATOM 0 HE3 MET A 60 -7.028 -2.820 -4.785 1.00 0.00 H new ATOM 939 N MET A 61 -2.359 -5.002 -6.867 1.00 0.00 N ATOM 940 CA MET A 61 -1.052 -4.441 -6.525 1.00 0.00 C ATOM 941 C MET A 61 -0.939 -3.008 -7.040 1.00 0.00 C ATOM 942 O MET A 61 -0.383 -2.139 -6.370 1.00 0.00 O ATOM 943 CB MET A 61 0.079 -5.307 -7.095 1.00 0.00 C ATOM 944 CG MET A 61 1.430 -4.606 -7.189 1.00 0.00 C ATOM 945 SD MET A 61 1.977 -4.370 -8.892 1.00 0.00 S ATOM 946 CE MET A 61 2.118 -2.587 -8.960 1.00 0.00 C ATOM 0 H MET A 61 -2.326 -5.870 -7.401 1.00 0.00 H new ATOM 0 HA MET A 61 -0.957 -4.430 -5.439 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.188 -6.195 -6.472 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.208 -5.648 -8.090 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.367 -3.637 -6.695 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.176 -5.190 -6.650 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.971 -2.249 -9.986 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.361 -2.137 -8.318 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.108 -2.287 -8.618 1.00 0.00 H new ATOM 956 N LYS A 62 -1.474 -2.772 -8.232 1.00 0.00 N ATOM 957 CA LYS A 62 -1.438 -1.444 -8.833 1.00 0.00 C ATOM 958 C LYS A 62 -2.350 -0.474 -8.082 1.00 0.00 C ATOM 959 O LYS A 62 -2.299 0.736 -8.305 1.00 0.00 O ATOM 960 CB LYS A 62 -1.855 -1.516 -10.304 1.00 0.00 C ATOM 961 CG LYS A 62 -0.772 -2.072 -11.215 1.00 0.00 C ATOM 962 CD LYS A 62 -0.153 -0.982 -12.076 1.00 0.00 C ATOM 963 CE LYS A 62 -0.863 -0.857 -13.414 1.00 0.00 C ATOM 964 NZ LYS A 62 -2.323 -0.613 -13.247 1.00 0.00 N ATOM 0 H LYS A 62 -1.937 -3.481 -8.801 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.415 -1.074 -8.767 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.746 -2.138 -10.391 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.128 -0.518 -10.645 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.003 -2.546 -10.613 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.196 -2.846 -11.855 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.200 -0.030 -11.548 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.901 -1.203 -12.242 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.421 -0.040 -13.985 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.711 -1.768 -13.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.750 -0.416 -14.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.770 -1.455 -12.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.469 0.203 -12.618 1.00 0.00 H new ATOM 978 N GLU A 63 -3.186 -1.011 -7.196 1.00 0.00 N ATOM 979 CA GLU A 63 -4.108 -0.191 -6.421 1.00 0.00 C ATOM 980 C GLU A 63 -3.437 0.374 -5.169 1.00 0.00 C ATOM 981 O GLU A 63 -3.840 1.421 -4.663 1.00 0.00 O ATOM 982 CB GLU A 63 -5.341 -1.008 -6.029 1.00 0.00 C ATOM 983 CG GLU A 63 -6.398 -0.204 -5.293 1.00 0.00 C ATOM 984 CD GLU A 63 -7.340 0.519 -6.236 1.00 0.00 C ATOM 985 OE1 GLU A 63 -6.862 1.053 -7.259 1.00 0.00 O ATOM 986 OE2 GLU A 63 -8.555 0.551 -5.951 1.00 0.00 O ATOM 0 H GLU A 63 -3.242 -2.010 -6.999 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.414 0.647 -7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.784 -1.435 -6.929 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.028 -1.842 -5.400 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.973 -0.870 -4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.910 0.523 -4.644 1.00 0.00 H new ATOM 993 N PHE A 64 -2.414 -0.319 -4.672 1.00 0.00 N ATOM 994 CA PHE A 64 -1.705 0.132 -3.479 1.00 0.00 C ATOM 995 C PHE A 64 -0.583 1.099 -3.845 1.00 0.00 C ATOM 996 O PHE A 64 -0.228 1.978 -3.059 1.00 0.00 O ATOM 997 CB PHE A 64 -1.168 -1.073 -2.681 1.00 0.00 C ATOM 998 CG PHE A 64 0.092 -1.692 -3.229 1.00 0.00 C ATOM 999 CD1 PHE A 64 1.296 -1.004 -3.214 1.00 0.00 C ATOM 1000 CD2 PHE A 64 0.067 -2.976 -3.749 1.00 0.00 C ATOM 1001 CE1 PHE A 64 2.448 -1.584 -3.710 1.00 0.00 C ATOM 1002 CE2 PHE A 64 1.216 -3.560 -4.245 1.00 0.00 C ATOM 1003 CZ PHE A 64 2.407 -2.864 -4.226 1.00 0.00 C ATOM 0 H PHE A 64 -2.061 -1.187 -5.074 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.409 0.670 -2.844 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.982 -0.756 -1.655 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.943 -1.838 -2.642 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.334 -0.003 -2.810 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.862 -3.527 -3.767 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.379 -1.037 -3.694 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.182 -4.562 -4.648 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.306 -3.320 -4.614 1.00 0.00 H new ATOM 1013 N GLN A 65 -0.034 0.941 -5.044 1.00 0.00 N ATOM 1014 CA GLN A 65 1.040 1.811 -5.511 1.00 0.00 C ATOM 1015 C GLN A 65 0.474 3.112 -6.075 1.00 0.00 C ATOM 1016 O GLN A 65 1.116 4.160 -6.006 1.00 0.00 O ATOM 1017 CB GLN A 65 1.883 1.100 -6.573 1.00 0.00 C ATOM 1018 CG GLN A 65 1.139 0.844 -7.875 1.00 0.00 C ATOM 1019 CD GLN A 65 1.705 1.635 -9.038 1.00 0.00 C ATOM 1020 OE1 GLN A 65 1.237 2.868 -9.200 1.00 0.00 O flip ATOM 1021 NE2 GLN A 65 2.553 1.144 -9.783 1.00 0.00 N flip ATOM 0 H GLN A 65 -0.314 0.220 -5.709 1.00 0.00 H new ATOM 0 HA GLN A 65 1.677 2.050 -4.660 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.768 1.700 -6.783 1.00 0.00 H new ATOM 0 HB3 GLN A 65 2.231 0.149 -6.171 1.00 0.00 H new ATOM 0 HG2 GLN A 65 1.181 -0.220 -8.110 1.00 0.00 H new ATOM 0 HG3 GLN A 65 0.088 1.100 -7.744 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.884 0.193 -9.622 1.00 0.00 H new ATOM 0 HE22 GLN A 65 2.924 1.688 -10.562 1.00 0.00 H new ATOM 1030 N GLN A 66 -0.733 3.036 -6.629 1.00 0.00 N ATOM 1031 CA GLN A 66 -1.387 4.207 -7.204 1.00 0.00 C ATOM 1032 C GLN A 66 -1.558 5.303 -6.155 1.00 0.00 C ATOM 1033 O GLN A 66 -1.541 6.490 -6.474 1.00 0.00 O ATOM 1034 CB GLN A 66 -2.749 3.822 -7.785 1.00 0.00 C ATOM 1035 CG GLN A 66 -3.416 4.944 -8.566 1.00 0.00 C ATOM 1036 CD GLN A 66 -3.675 4.573 -10.014 1.00 0.00 C ATOM 1037 OE1 GLN A 66 -3.408 5.358 -10.924 1.00 0.00 O ATOM 1038 NE2 GLN A 66 -4.200 3.373 -10.233 1.00 0.00 N ATOM 0 H GLN A 66 -1.278 2.176 -6.692 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.755 4.591 -8.005 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.625 2.959 -8.439 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.408 3.514 -6.973 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.360 5.204 -8.087 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.785 5.832 -8.530 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.405 2.755 -9.448 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.398 3.069 -11.186 1.00 0.00 H new ATOM 1047 N VAL A 67 -1.719 4.891 -4.901 1.00 0.00 N ATOM 1048 CA VAL A 67 -1.886 5.831 -3.799 1.00 0.00 C ATOM 1049 C VAL A 67 -0.698 6.789 -3.726 1.00 0.00 C ATOM 1050 O VAL A 67 -0.854 8.002 -3.861 1.00 0.00 O ATOM 1051 CB VAL A 67 -2.046 5.072 -2.463 1.00 0.00 C ATOM 1052 CG1 VAL A 67 -1.822 5.990 -1.267 1.00 0.00 C ATOM 1053 CG2 VAL A 67 -3.415 4.411 -2.396 1.00 0.00 C ATOM 0 H VAL A 67 -1.737 3.910 -4.623 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.789 6.414 -3.979 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.282 4.296 -2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.943 5.422 -0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.814 6.403 -1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.549 6.802 -1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.516 3.879 -1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.191 5.173 -2.469 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.520 3.707 -3.221 1.00 0.00 H new ATOM 1063 N LEU A 68 0.492 6.228 -3.539 1.00 0.00 N ATOM 1064 CA LEU A 68 1.718 7.016 -3.478 1.00 0.00 C ATOM 1065 C LEU A 68 1.936 7.765 -4.795 1.00 0.00 C ATOM 1066 O LEU A 68 2.736 8.696 -4.863 1.00 0.00 O ATOM 1067 CB LEU A 68 2.895 6.099 -3.155 1.00 0.00 C ATOM 1068 CG LEU A 68 2.972 5.687 -1.680 1.00 0.00 C ATOM 1069 CD1 LEU A 68 2.485 4.251 -1.483 1.00 0.00 C ATOM 1070 CD2 LEU A 68 4.392 5.844 -1.159 1.00 0.00 C ATOM 0 H LEU A 68 0.634 5.224 -3.426 1.00 0.00 H new ATOM 0 HA LEU A 68 1.635 7.762 -2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.824 5.202 -3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.822 6.602 -3.431 1.00 0.00 H new ATOM 0 HG LEU A 68 2.316 6.345 -1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.551 3.986 -0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.450 4.169 -1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.107 3.573 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.430 5.548 -0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.064 5.212 -1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.701 6.885 -1.253 1.00 0.00 H new ATOM 1082 N ASP A 69 1.187 7.378 -5.833 1.00 0.00 N ATOM 1083 CA ASP A 69 1.276 8.049 -7.123 1.00 0.00 C ATOM 1084 C ASP A 69 0.747 9.470 -6.976 1.00 0.00 C ATOM 1085 O ASP A 69 1.429 10.439 -7.312 1.00 0.00 O ATOM 1086 CB ASP A 69 0.475 7.290 -8.184 1.00 0.00 C ATOM 1087 CG ASP A 69 1.155 7.299 -9.539 1.00 0.00 C ATOM 1088 OD1 ASP A 69 1.698 8.356 -9.924 1.00 0.00 O ATOM 1089 OD2 ASP A 69 1.146 6.249 -10.215 1.00 0.00 O ATOM 0 H ASP A 69 0.518 6.608 -5.801 1.00 0.00 H new ATOM 0 HA ASP A 69 2.317 8.075 -7.446 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.332 6.259 -7.859 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.516 7.736 -8.275 1.00 0.00 H new ATOM 1094 N GLU A 70 -0.463 9.584 -6.426 1.00 0.00 N ATOM 1095 CA GLU A 70 -1.076 10.887 -6.177 1.00 0.00 C ATOM 1096 C GLU A 70 -0.170 11.691 -5.262 1.00 0.00 C ATOM 1097 O GLU A 70 -0.080 12.916 -5.352 1.00 0.00 O ATOM 1098 CB GLU A 70 -2.439 10.714 -5.496 1.00 0.00 C ATOM 1099 CG GLU A 70 -3.403 11.857 -5.757 1.00 0.00 C ATOM 1100 CD GLU A 70 -4.480 11.495 -6.760 1.00 0.00 C ATOM 1101 OE1 GLU A 70 -4.152 10.846 -7.775 1.00 0.00 O ATOM 1102 OE2 GLU A 70 -5.652 11.859 -6.530 1.00 0.00 O ATOM 0 H GLU A 70 -1.037 8.789 -6.145 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.214 11.402 -7.128 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.891 9.784 -5.840 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.288 10.617 -4.421 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.871 12.154 -4.818 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.847 12.720 -6.123 1.00 0.00 H new ATOM 1109 N LEU A 71 0.491 10.963 -4.373 1.00 0.00 N ATOM 1110 CA LEU A 71 1.398 11.535 -3.402 1.00 0.00 C ATOM 1111 C LEU A 71 2.596 12.200 -4.068 1.00 0.00 C ATOM 1112 O LEU A 71 2.771 13.414 -3.987 1.00 0.00 O ATOM 1113 CB LEU A 71 1.878 10.429 -2.472 1.00 0.00 C ATOM 1114 CG LEU A 71 2.656 10.912 -1.261 1.00 0.00 C ATOM 1115 CD1 LEU A 71 1.840 10.727 -0.003 1.00 0.00 C ATOM 1116 CD2 LEU A 71 3.975 10.180 -1.151 1.00 0.00 C ATOM 0 H LEU A 71 0.408 9.948 -4.309 1.00 0.00 H new ATOM 0 HA LEU A 71 0.865 12.304 -2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.013 9.861 -2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.506 9.742 -3.040 1.00 0.00 H new ATOM 0 HG LEU A 71 2.863 11.975 -1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.411 11.078 0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.915 11.299 -0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.604 9.671 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.519 10.539 -0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.790 9.111 -1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.568 10.362 -2.047 1.00 0.00 H new ATOM 1128 N ASN A 72 3.424 11.389 -4.716 1.00 0.00 N ATOM 1129 CA ASN A 72 4.620 11.884 -5.391 1.00 0.00 C ATOM 1130 C ASN A 72 4.306 13.071 -6.298 1.00 0.00 C ATOM 1131 O ASN A 72 5.185 13.878 -6.603 1.00 0.00 O ATOM 1132 CB ASN A 72 5.265 10.763 -6.207 1.00 0.00 C ATOM 1133 CG ASN A 72 6.687 11.092 -6.621 1.00 0.00 C ATOM 1134 OD1 ASN A 72 7.608 11.050 -5.807 1.00 0.00 O ATOM 1135 ND2 ASN A 72 6.870 11.422 -7.894 1.00 0.00 N ATOM 0 H ASN A 72 3.289 10.381 -4.789 1.00 0.00 H new ATOM 0 HA ASN A 72 5.316 12.224 -4.624 1.00 0.00 H new ATOM 0 HB2 ASN A 72 5.264 9.844 -5.621 1.00 0.00 H new ATOM 0 HB3 ASN A 72 4.665 10.574 -7.097 1.00 0.00 H new ATOM 0 HD21 ASN A 72 7.804 11.654 -8.232 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.076 11.444 -8.534 1.00 0.00 H new ATOM 1142 N ASN A 73 3.055 13.170 -6.733 1.00 0.00 N ATOM 1143 CA ASN A 73 2.640 14.254 -7.612 1.00 0.00 C ATOM 1144 C ASN A 73 2.257 15.510 -6.830 1.00 0.00 C ATOM 1145 O ASN A 73 1.936 16.538 -7.428 1.00 0.00 O ATOM 1146 CB ASN A 73 1.463 13.807 -8.480 1.00 0.00 C ATOM 1147 CG ASN A 73 1.912 13.199 -9.794 1.00 0.00 C ATOM 1148 OD1 ASN A 73 2.040 11.981 -9.917 1.00 0.00 O ATOM 1149 ND2 ASN A 73 2.153 14.048 -10.787 1.00 0.00 N ATOM 0 H ASN A 73 2.313 12.514 -6.491 1.00 0.00 H new ATOM 0 HA ASN A 73 3.491 14.503 -8.246 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.866 13.079 -7.931 1.00 0.00 H new ATOM 0 HB3 ASN A 73 0.817 14.662 -8.680 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.457 13.697 -11.695 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.034 15.050 -10.641 1.00 0.00 H new ATOM 1156 N HIS A 74 2.277 15.439 -5.498 1.00 0.00 N ATOM 1157 CA HIS A 74 1.914 16.596 -4.685 1.00 0.00 C ATOM 1158 C HIS A 74 2.628 16.599 -3.343 1.00 0.00 C ATOM 1159 O HIS A 74 2.066 17.030 -2.337 1.00 0.00 O ATOM 1160 CB HIS A 74 0.401 16.634 -4.471 1.00 0.00 C ATOM 1161 CG HIS A 74 -0.343 17.305 -5.583 1.00 0.00 C ATOM 1162 ND1 HIS A 74 -0.176 18.636 -5.906 1.00 0.00 N ATOM 1163 CD2 HIS A 74 -1.262 16.822 -6.453 1.00 0.00 C ATOM 1164 CE1 HIS A 74 -0.960 18.942 -6.925 1.00 0.00 C ATOM 1165 NE2 HIS A 74 -1.629 17.858 -7.276 1.00 0.00 N ATOM 0 H HIS A 74 2.536 14.607 -4.968 1.00 0.00 H new ATOM 0 HA HIS A 74 2.230 17.487 -5.227 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.032 15.614 -4.361 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.187 17.153 -3.537 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.637 15.810 -6.492 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -1.040 19.913 -7.391 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -2.308 17.800 -8.035 1.00 0.00 H new ATOM 1174 N LEU A 75 3.877 16.152 -3.330 1.00 0.00 N ATOM 1175 CA LEU A 75 4.646 16.153 -2.098 1.00 0.00 C ATOM 1176 C LEU A 75 4.920 17.582 -1.682 1.00 0.00 C ATOM 1177 O LEU A 75 5.957 18.155 -2.012 1.00 0.00 O ATOM 1178 CB LEU A 75 5.949 15.390 -2.259 1.00 0.00 C ATOM 1179 CG LEU A 75 6.013 14.120 -1.425 1.00 0.00 C ATOM 1180 CD1 LEU A 75 5.786 14.437 0.043 1.00 0.00 C ATOM 1181 CD2 LEU A 75 4.972 13.133 -1.905 1.00 0.00 C ATOM 0 H LEU A 75 4.371 15.790 -4.146 1.00 0.00 H new ATOM 0 HA LEU A 75 4.066 15.651 -1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.083 15.133 -3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.779 16.040 -1.981 1.00 0.00 H new ATOM 0 HG LEU A 75 7.003 13.679 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.835 13.517 0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.555 15.127 0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.805 14.894 0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.025 12.226 -1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.980 13.575 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.160 12.885 -2.950 1.00 0.00 H new ATOM 1193 N GLN A 76 3.964 18.155 -0.975 1.00 0.00 N ATOM 1194 CA GLN A 76 4.067 19.532 -0.524 1.00 0.00 C ATOM 1195 C GLN A 76 5.164 19.682 0.528 1.00 0.00 C ATOM 1196 O GLN A 76 4.889 19.985 1.689 1.00 0.00 O ATOM 1197 CB GLN A 76 2.727 20.005 0.044 1.00 0.00 C ATOM 1198 CG GLN A 76 1.846 20.701 -0.980 1.00 0.00 C ATOM 1199 CD GLN A 76 2.478 21.965 -1.528 1.00 0.00 C ATOM 1200 OE1 GLN A 76 3.199 21.834 -2.636 1.00 0.00 O flip ATOM 1201 NE2 GLN A 76 2.320 23.049 -0.963 1.00 0.00 N flip ATOM 0 H GLN A 76 3.102 17.685 -0.699 1.00 0.00 H new ATOM 0 HA GLN A 76 4.328 20.151 -1.382 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.191 19.147 0.450 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.914 20.686 0.874 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.640 20.016 -1.802 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.888 20.947 -0.522 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.758 23.104 -0.114 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.751 23.891 -1.345 1.00 0.00 H new ATOM 1210 N GLY A 77 6.409 19.464 0.116 1.00 0.00 N ATOM 1211 CA GLY A 77 7.524 19.575 1.038 1.00 0.00 C ATOM 1212 C GLY A 77 7.501 18.500 2.107 1.00 0.00 C ATOM 1213 O GLY A 77 7.537 18.802 3.301 1.00 0.00 O ATOM 0 H GLY A 77 6.665 19.213 -0.839 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.459 19.510 0.482 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.503 20.556 1.513 1.00 0.00 H new ATOM 1217 N GLY A 78 7.440 17.243 1.679 1.00 0.00 N ATOM 1218 CA GLY A 78 7.411 16.139 2.621 1.00 0.00 C ATOM 1219 C GLY A 78 7.957 14.854 2.029 1.00 0.00 C ATOM 1220 O GLY A 78 7.557 13.760 2.428 1.00 0.00 O ATOM 0 H GLY A 78 7.410 16.969 0.697 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.993 16.404 3.504 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.385 15.975 2.952 1.00 0.00 H new ATOM 1224 N LYS A 79 8.874 14.989 1.073 1.00 0.00 N ATOM 1225 CA LYS A 79 9.487 13.837 0.409 1.00 0.00 C ATOM 1226 C LYS A 79 9.857 12.735 1.403 1.00 0.00 C ATOM 1227 O LYS A 79 9.901 11.557 1.047 1.00 0.00 O ATOM 1228 CB LYS A 79 10.735 14.276 -0.358 1.00 0.00 C ATOM 1229 CG LYS A 79 10.428 15.034 -1.639 1.00 0.00 C ATOM 1230 CD LYS A 79 10.375 14.099 -2.837 1.00 0.00 C ATOM 1231 CE LYS A 79 9.022 13.418 -2.950 1.00 0.00 C ATOM 1232 NZ LYS A 79 8.895 12.642 -4.214 1.00 0.00 N ATOM 0 H LYS A 79 9.212 15.891 0.738 1.00 0.00 H new ATOM 0 HA LYS A 79 8.751 13.430 -0.284 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.346 14.906 0.289 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.330 13.396 -0.601 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.474 15.552 -1.537 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.189 15.797 -1.804 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.578 14.661 -3.748 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.157 13.345 -2.747 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.879 12.752 -2.099 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.233 14.168 -2.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.043 12.046 -4.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.819 13.298 -5.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.733 12.039 -4.337 1.00 0.00 H new ATOM 1246 N HIS A 80 10.120 13.122 2.646 1.00 0.00 N ATOM 1247 CA HIS A 80 10.484 12.164 3.687 1.00 0.00 C ATOM 1248 C HIS A 80 9.394 11.110 3.848 1.00 0.00 C ATOM 1249 O HIS A 80 9.675 9.920 3.996 1.00 0.00 O ATOM 1250 CB HIS A 80 10.724 12.883 5.018 1.00 0.00 C ATOM 1251 CG HIS A 80 9.485 13.478 5.614 1.00 0.00 C ATOM 1252 ND1 HIS A 80 8.707 12.821 6.544 1.00 0.00 N ATOM 1253 CD2 HIS A 80 8.890 14.677 5.410 1.00 0.00 C ATOM 1254 CE1 HIS A 80 7.688 13.589 6.885 1.00 0.00 C ATOM 1255 NE2 HIS A 80 7.776 14.721 6.211 1.00 0.00 N ATOM 0 H HIS A 80 10.088 14.092 2.959 1.00 0.00 H new ATOM 0 HA HIS A 80 11.407 11.668 3.388 1.00 0.00 H new ATOM 0 HB2 HIS A 80 11.156 12.178 5.729 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.459 13.673 4.866 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.229 15.454 4.741 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.914 13.334 7.594 1.00 0.00 H new ATOM 0 HE2 HIS A 80 7.122 15.501 6.275 1.00 0.00 H new ATOM 1264 N THR A 81 8.147 11.562 3.799 1.00 0.00 N ATOM 1265 CA THR A 81 6.995 10.676 3.916 1.00 0.00 C ATOM 1266 C THR A 81 7.029 9.629 2.823 1.00 0.00 C ATOM 1267 O THR A 81 6.938 8.436 3.098 1.00 0.00 O ATOM 1268 CB THR A 81 5.711 11.499 3.828 1.00 0.00 C ATOM 1269 OG1 THR A 81 5.386 12.058 5.089 1.00 0.00 O ATOM 1270 CG2 THR A 81 4.505 10.717 3.352 1.00 0.00 C ATOM 0 H THR A 81 7.906 12.546 3.678 1.00 0.00 H new ATOM 0 HA THR A 81 7.026 10.167 4.879 1.00 0.00 H new ATOM 0 HB THR A 81 5.927 12.270 3.089 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.868 12.880 4.959 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.636 11.374 3.318 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.699 10.320 2.356 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.311 9.894 4.039 1.00 0.00 H new ATOM 1278 N VAL A 82 7.164 10.078 1.581 1.00 0.00 N ATOM 1279 CA VAL A 82 7.207 9.150 0.466 1.00 0.00 C ATOM 1280 C VAL A 82 8.340 8.165 0.639 1.00 0.00 C ATOM 1281 O VAL A 82 8.116 6.967 0.715 1.00 0.00 O ATOM 1282 CB VAL A 82 7.348 9.825 -0.909 1.00 0.00 C ATOM 1283 CG1 VAL A 82 6.514 9.063 -1.931 1.00 0.00 C ATOM 1284 CG2 VAL A 82 6.941 11.285 -0.853 1.00 0.00 C ATOM 0 H VAL A 82 7.244 11.062 1.326 1.00 0.00 H new ATOM 0 HA VAL A 82 6.242 8.643 0.479 1.00 0.00 H new ATOM 0 HB VAL A 82 8.396 9.798 -1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.611 9.538 -2.907 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.866 8.033 -1.992 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.468 9.072 -1.626 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.053 11.732 -1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.901 11.361 -0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.577 11.813 -0.142 1.00 0.00 H new ATOM 1294 N HIS A 83 9.563 8.677 0.713 1.00 0.00 N ATOM 1295 CA HIS A 83 10.729 7.821 0.888 1.00 0.00 C ATOM 1296 C HIS A 83 10.446 6.739 1.925 1.00 0.00 C ATOM 1297 O HIS A 83 10.834 5.586 1.755 1.00 0.00 O ATOM 1298 CB HIS A 83 11.943 8.651 1.310 1.00 0.00 C ATOM 1299 CG HIS A 83 13.234 7.892 1.259 1.00 0.00 C ATOM 1300 ND1 HIS A 83 13.674 7.086 2.288 1.00 0.00 N ATOM 1301 CD2 HIS A 83 14.180 7.818 0.293 1.00 0.00 C ATOM 1302 CE1 HIS A 83 14.837 6.551 1.958 1.00 0.00 C ATOM 1303 NE2 HIS A 83 15.166 6.979 0.753 1.00 0.00 N ATOM 0 H HIS A 83 9.772 9.674 0.655 1.00 0.00 H new ATOM 0 HA HIS A 83 10.949 7.341 -0.066 1.00 0.00 H new ATOM 0 HB2 HIS A 83 12.019 9.524 0.662 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.787 9.019 2.324 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.163 8.324 -0.661 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.419 5.878 2.570 1.00 0.00 H new ATOM 0 HE2 HIS A 83 16.015 6.728 0.246 1.00 0.00 H new ATOM 1312 N HIS A 84 9.750 7.122 2.992 1.00 0.00 N ATOM 1313 CA HIS A 84 9.394 6.184 4.051 1.00 0.00 C ATOM 1314 C HIS A 84 8.237 5.281 3.623 1.00 0.00 C ATOM 1315 O HIS A 84 8.296 4.061 3.779 1.00 0.00 O ATOM 1316 CB HIS A 84 9.020 6.941 5.326 1.00 0.00 C ATOM 1317 CG HIS A 84 9.360 6.203 6.583 1.00 0.00 C ATOM 1318 ND1 HIS A 84 10.553 5.537 6.768 1.00 0.00 N ATOM 1319 CD2 HIS A 84 8.653 6.028 7.725 1.00 0.00 C ATOM 1320 CE1 HIS A 84 10.567 4.985 7.968 1.00 0.00 C ATOM 1321 NE2 HIS A 84 9.426 5.268 8.569 1.00 0.00 N ATOM 0 H HIS A 84 9.422 8.075 3.146 1.00 0.00 H new ATOM 0 HA HIS A 84 10.263 5.556 4.248 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.531 7.904 5.330 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.950 7.149 5.315 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.666 6.414 7.933 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.374 4.402 8.386 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.161 4.970 9.508 1.00 0.00 H new ATOM 1330 N ILE A 85 7.181 5.897 3.096 1.00 0.00 N ATOM 1331 CA ILE A 85 5.993 5.168 2.656 1.00 0.00 C ATOM 1332 C ILE A 85 6.234 4.438 1.326 1.00 0.00 C ATOM 1333 O ILE A 85 5.486 3.533 0.972 1.00 0.00 O ATOM 1334 CB ILE A 85 4.778 6.125 2.529 1.00 0.00 C ATOM 1335 CG1 ILE A 85 3.485 5.359 2.229 1.00 0.00 C ATOM 1336 CG2 ILE A 85 5.072 7.159 1.489 1.00 0.00 C ATOM 1337 CD1 ILE A 85 2.483 6.084 1.344 1.00 0.00 C ATOM 0 H ILE A 85 7.124 6.907 2.963 1.00 0.00 H new ATOM 0 HA ILE A 85 5.774 4.417 3.415 1.00 0.00 H new ATOM 0 HB ILE A 85 4.618 6.627 3.483 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.746 4.414 1.753 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.999 5.117 3.174 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.221 7.834 1.396 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.956 7.727 1.780 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.254 6.671 0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.606 5.454 1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.183 7.016 1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.941 6.302 0.379 1.00 0.00 H new ATOM 1349 N GLU A 86 7.289 4.818 0.601 1.00 0.00 N ATOM 1350 CA GLU A 86 7.616 4.173 -0.674 1.00 0.00 C ATOM 1351 C GLU A 86 8.609 3.039 -0.454 1.00 0.00 C ATOM 1352 O GLU A 86 8.428 1.944 -0.979 1.00 0.00 O ATOM 1353 CB GLU A 86 8.160 5.183 -1.692 1.00 0.00 C ATOM 1354 CG GLU A 86 9.446 5.866 -1.276 1.00 0.00 C ATOM 1355 CD GLU A 86 10.584 5.610 -2.243 1.00 0.00 C ATOM 1356 OE1 GLU A 86 10.565 4.556 -2.916 1.00 0.00 O ATOM 1357 OE2 GLU A 86 11.494 6.460 -2.329 1.00 0.00 O ATOM 0 H GLU A 86 7.928 5.565 0.873 1.00 0.00 H new ATOM 0 HA GLU A 86 6.696 3.757 -1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.326 4.671 -2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.401 5.944 -1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.274 6.940 -1.200 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.733 5.518 -0.284 1.00 0.00 H new ATOM 1364 N GLN A 87 9.634 3.279 0.363 1.00 0.00 N ATOM 1365 CA GLN A 87 10.595 2.227 0.670 1.00 0.00 C ATOM 1366 C GLN A 87 9.854 1.106 1.384 1.00 0.00 C ATOM 1367 O GLN A 87 10.265 -0.054 1.365 1.00 0.00 O ATOM 1368 CB GLN A 87 11.729 2.754 1.557 1.00 0.00 C ATOM 1369 CG GLN A 87 12.962 3.206 0.785 1.00 0.00 C ATOM 1370 CD GLN A 87 12.621 3.991 -0.467 1.00 0.00 C ATOM 1371 OE1 GLN A 87 12.578 5.221 -0.449 1.00 0.00 O ATOM 1372 NE2 GLN A 87 12.380 3.281 -1.564 1.00 0.00 N ATOM 0 H GLN A 87 9.817 4.175 0.815 1.00 0.00 H new ATOM 0 HA GLN A 87 11.044 1.864 -0.254 1.00 0.00 H new ATOM 0 HB2 GLN A 87 11.356 3.591 2.147 1.00 0.00 H new ATOM 0 HB3 GLN A 87 12.019 1.973 2.260 1.00 0.00 H new ATOM 0 HG2 GLN A 87 13.586 3.821 1.434 1.00 0.00 H new ATOM 0 HG3 GLN A 87 13.553 2.332 0.510 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.427 2.263 -1.533 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.148 3.754 -2.437 1.00 0.00 H new ATOM 1381 N ASN A 88 8.738 1.487 1.999 1.00 0.00 N ATOM 1382 CA ASN A 88 7.881 0.566 2.716 1.00 0.00 C ATOM 1383 C ASN A 88 6.947 -0.142 1.745 1.00 0.00 C ATOM 1384 O ASN A 88 6.954 -1.367 1.639 1.00 0.00 O ATOM 1385 CB ASN A 88 7.062 1.336 3.751 1.00 0.00 C ATOM 1386 CG ASN A 88 7.744 1.394 5.104 1.00 0.00 C ATOM 1387 OD1 ASN A 88 7.121 1.149 6.137 1.00 0.00 O ATOM 1388 ND2 ASN A 88 9.031 1.719 5.104 1.00 0.00 N ATOM 0 H ASN A 88 8.406 2.451 2.010 1.00 0.00 H new ATOM 0 HA ASN A 88 8.497 -0.179 3.219 1.00 0.00 H new ATOM 0 HB2 ASN A 88 6.889 2.350 3.391 1.00 0.00 H new ATOM 0 HB3 ASN A 88 6.085 0.865 3.860 1.00 0.00 H new ATOM 0 HD21 ASN A 88 9.543 1.774 5.984 1.00 0.00 H new ATOM 0 HD22 ASN A 88 9.508 1.914 4.224 1.00 0.00 H new ATOM 1395 N ILE A 89 6.140 0.646 1.040 1.00 0.00 N ATOM 1396 CA ILE A 89 5.192 0.103 0.079 1.00 0.00 C ATOM 1397 C ILE A 89 5.901 -0.571 -1.079 1.00 0.00 C ATOM 1398 O ILE A 89 5.581 -1.705 -1.437 1.00 0.00 O ATOM 1399 CB ILE A 89 4.229 1.195 -0.447 1.00 0.00 C ATOM 1400 CG1 ILE A 89 2.826 0.907 0.057 1.00 0.00 C ATOM 1401 CG2 ILE A 89 4.234 1.285 -1.972 1.00 0.00 C ATOM 1402 CD1 ILE A 89 2.168 2.092 0.738 1.00 0.00 C ATOM 0 H ILE A 89 6.126 1.663 1.118 1.00 0.00 H new ATOM 0 HA ILE A 89 4.603 -0.648 0.604 1.00 0.00 H new ATOM 0 HB ILE A 89 4.573 2.158 -0.071 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.206 0.591 -0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.865 0.072 0.757 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.543 2.065 -2.293 1.00 0.00 H new ATOM 0 HG22 ILE A 89 5.239 1.525 -2.319 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.923 0.329 -2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.169 1.811 1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.766 2.396 1.598 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.096 2.922 0.035 1.00 0.00 H new ATOM 1414 N LYS A 90 6.862 0.119 -1.668 1.00 0.00 N ATOM 1415 CA LYS A 90 7.596 -0.446 -2.781 1.00 0.00 C ATOM 1416 C LYS A 90 8.266 -1.747 -2.355 1.00 0.00 C ATOM 1417 O LYS A 90 8.485 -2.641 -3.170 1.00 0.00 O ATOM 1418 CB LYS A 90 8.632 0.544 -3.314 1.00 0.00 C ATOM 1419 CG LYS A 90 9.004 0.312 -4.770 1.00 0.00 C ATOM 1420 CD LYS A 90 7.914 0.807 -5.707 1.00 0.00 C ATOM 1421 CE LYS A 90 7.744 -0.118 -6.901 1.00 0.00 C ATOM 1422 NZ LYS A 90 6.570 -1.021 -6.741 1.00 0.00 N ATOM 0 H LYS A 90 7.148 1.060 -1.397 1.00 0.00 H new ATOM 0 HA LYS A 90 6.893 -0.658 -3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.245 1.557 -3.204 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.532 0.479 -2.703 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.939 0.825 -4.994 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.175 -0.751 -4.938 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.971 0.879 -5.164 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.160 1.810 -6.055 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.624 0.477 -7.807 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.647 -0.715 -7.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.489 -1.636 -7.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.696 -1.607 -5.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.705 -0.452 -6.644 1.00 0.00 H new ATOM 1436 N GLU A 91 8.564 -1.849 -1.064 1.00 0.00 N ATOM 1437 CA GLU A 91 9.177 -3.048 -0.511 1.00 0.00 C ATOM 1438 C GLU A 91 8.099 -4.023 -0.037 1.00 0.00 C ATOM 1439 O GLU A 91 8.400 -5.142 0.379 1.00 0.00 O ATOM 1440 CB GLU A 91 10.106 -2.688 0.650 1.00 0.00 C ATOM 1441 CG GLU A 91 10.879 -3.875 1.200 1.00 0.00 C ATOM 1442 CD GLU A 91 12.201 -3.471 1.822 1.00 0.00 C ATOM 1443 OE1 GLU A 91 12.789 -2.468 1.367 1.00 0.00 O ATOM 1444 OE2 GLU A 91 12.647 -4.158 2.766 1.00 0.00 O ATOM 0 H GLU A 91 8.390 -1.112 -0.380 1.00 0.00 H new ATOM 0 HA GLU A 91 9.766 -3.526 -1.293 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.812 -1.928 0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.516 -2.245 1.453 1.00 0.00 H new ATOM 0 HG2 GLU A 91 10.271 -4.385 1.947 1.00 0.00 H new ATOM 0 HG3 GLU A 91 11.062 -4.588 0.397 1.00 0.00 H new ATOM 1451 N ILE A 92 6.837 -3.591 -0.112 1.00 0.00 N ATOM 1452 CA ILE A 92 5.717 -4.418 0.295 1.00 0.00 C ATOM 1453 C ILE A 92 5.402 -5.428 -0.797 1.00 0.00 C ATOM 1454 O ILE A 92 5.262 -6.621 -0.534 1.00 0.00 O ATOM 1455 CB ILE A 92 4.469 -3.562 0.629 1.00 0.00 C ATOM 1456 CG1 ILE A 92 4.211 -3.596 2.134 1.00 0.00 C ATOM 1457 CG2 ILE A 92 3.234 -4.033 -0.126 1.00 0.00 C ATOM 1458 CD1 ILE A 92 5.376 -3.092 2.954 1.00 0.00 C ATOM 0 H ILE A 92 6.573 -2.667 -0.454 1.00 0.00 H new ATOM 0 HA ILE A 92 5.996 -4.950 1.204 1.00 0.00 H new ATOM 0 HB ILE A 92 4.671 -2.539 0.312 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.331 -2.993 2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.981 -4.619 2.433 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.384 -3.404 0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.415 -3.965 -1.199 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.017 -5.068 0.140 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.125 -3.144 4.013 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.253 -3.709 2.758 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.592 -2.059 2.682 1.00 0.00 H new ATOM 1470 N PHE A 93 5.316 -4.938 -2.032 1.00 0.00 N ATOM 1471 CA PHE A 93 5.038 -5.796 -3.174 1.00 0.00 C ATOM 1472 C PHE A 93 5.943 -7.032 -3.148 1.00 0.00 C ATOM 1473 O PHE A 93 5.582 -8.090 -3.659 1.00 0.00 O ATOM 1474 CB PHE A 93 5.244 -5.020 -4.482 1.00 0.00 C ATOM 1475 CG PHE A 93 6.600 -5.241 -5.080 1.00 0.00 C ATOM 1476 CD1 PHE A 93 7.732 -4.991 -4.332 1.00 0.00 C ATOM 1477 CD2 PHE A 93 6.742 -5.728 -6.366 1.00 0.00 C ATOM 1478 CE1 PHE A 93 8.986 -5.216 -4.850 1.00 0.00 C ATOM 1479 CE2 PHE A 93 7.996 -5.960 -6.895 1.00 0.00 C ATOM 1480 CZ PHE A 93 9.123 -5.705 -6.135 1.00 0.00 C ATOM 0 H PHE A 93 5.435 -3.952 -2.264 1.00 0.00 H new ATOM 0 HA PHE A 93 4.000 -6.123 -3.117 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.482 -5.320 -5.201 1.00 0.00 H new ATOM 0 HB3 PHE A 93 5.104 -3.956 -4.294 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.632 -4.613 -3.325 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.864 -5.929 -6.962 1.00 0.00 H new ATOM 0 HE1 PHE A 93 9.862 -5.011 -4.253 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.097 -6.340 -7.901 1.00 0.00 H new ATOM 0 HZ PHE A 93 10.106 -5.887 -6.544 1.00 0.00 H new ATOM 1490 N HIS A 94 7.127 -6.879 -2.550 1.00 0.00 N ATOM 1491 CA HIS A 94 8.086 -7.973 -2.460 1.00 0.00 C ATOM 1492 C HIS A 94 7.500 -9.110 -1.647 1.00 0.00 C ATOM 1493 O HIS A 94 7.267 -10.201 -2.164 1.00 0.00 O ATOM 1494 CB HIS A 94 9.392 -7.491 -1.824 1.00 0.00 C ATOM 1495 CG HIS A 94 10.496 -8.499 -1.892 1.00 0.00 C ATOM 1496 ND1 HIS A 94 11.017 -9.122 -0.776 1.00 0.00 N ATOM 1497 CD2 HIS A 94 11.181 -8.995 -2.950 1.00 0.00 C ATOM 1498 CE1 HIS A 94 11.974 -9.955 -1.145 1.00 0.00 C ATOM 1499 NE2 HIS A 94 12.092 -9.897 -2.459 1.00 0.00 N ATOM 0 H HIS A 94 7.441 -6.008 -2.123 1.00 0.00 H new ATOM 0 HA HIS A 94 8.302 -8.330 -3.467 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.714 -6.577 -2.323 1.00 0.00 H new ATOM 0 HB3 HIS A 94 9.207 -7.237 -0.780 1.00 0.00 H new ATOM 0 HD2 HIS A 94 11.037 -8.730 -3.987 1.00 0.00 H new ATOM 0 HE1 HIS A 94 12.560 -10.577 -0.485 1.00 0.00 H new ATOM 0 HE2 HIS A 94 12.753 -10.435 -3.019 1.00 0.00 H new ATOM 1508 N HIS A 95 7.233 -8.838 -0.377 1.00 0.00 N ATOM 1509 CA HIS A 95 6.641 -9.833 0.499 1.00 0.00 C ATOM 1510 C HIS A 95 5.226 -10.168 0.035 1.00 0.00 C ATOM 1511 O HIS A 95 4.611 -11.113 0.529 1.00 0.00 O ATOM 1512 CB HIS A 95 6.616 -9.328 1.942 1.00 0.00 C ATOM 1513 CG HIS A 95 7.927 -9.475 2.651 1.00 0.00 C ATOM 1514 ND1 HIS A 95 8.691 -10.621 2.588 1.00 0.00 N ATOM 1515 CD2 HIS A 95 8.610 -8.614 3.442 1.00 0.00 C ATOM 1516 CE1 HIS A 95 9.787 -10.459 3.310 1.00 0.00 C ATOM 1517 NE2 HIS A 95 9.760 -9.249 3.838 1.00 0.00 N ATOM 0 H HIS A 95 7.417 -7.938 0.067 1.00 0.00 H new ATOM 0 HA HIS A 95 7.249 -10.737 0.458 1.00 0.00 H new ATOM 0 HB2 HIS A 95 6.326 -8.277 1.945 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.850 -9.872 2.495 1.00 0.00 H new ATOM 0 HD1 HIS A 95 8.449 -11.463 2.066 1.00 0.00 H new ATOM 0 HD2 HIS A 95 8.306 -7.613 3.711 1.00 0.00 H new ATOM 0 HE1 HIS A 95 10.570 -11.191 3.445 1.00 0.00 H new ATOM 1526 N LEU A 96 4.712 -9.394 -0.927 1.00 0.00 N ATOM 1527 CA LEU A 96 3.374 -9.631 -1.452 1.00 0.00 C ATOM 1528 C LEU A 96 3.434 -10.602 -2.618 1.00 0.00 C ATOM 1529 O LEU A 96 2.849 -11.685 -2.572 1.00 0.00 O ATOM 1530 CB LEU A 96 2.735 -8.317 -1.892 1.00 0.00 C ATOM 1531 CG LEU A 96 2.337 -7.383 -0.755 1.00 0.00 C ATOM 1532 CD1 LEU A 96 1.467 -6.250 -1.278 1.00 0.00 C ATOM 1533 CD2 LEU A 96 1.613 -8.138 0.352 1.00 0.00 C ATOM 0 H LEU A 96 5.202 -8.606 -1.351 1.00 0.00 H new ATOM 0 HA LEU A 96 2.762 -10.067 -0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.431 -7.793 -2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.848 -8.542 -2.485 1.00 0.00 H new ATOM 0 HG LEU A 96 3.249 -6.961 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.192 -5.592 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.020 -5.682 -2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.565 -6.663 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.342 -7.445 1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.711 -8.598 -0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.267 -8.913 0.752 1.00 0.00 H new ATOM 1545 N GLU A 97 4.167 -10.218 -3.653 1.00 0.00 N ATOM 1546 CA GLU A 97 4.330 -11.069 -4.820 1.00 0.00 C ATOM 1547 C GLU A 97 5.170 -12.286 -4.459 1.00 0.00 C ATOM 1548 O GLU A 97 5.238 -13.252 -5.218 1.00 0.00 O ATOM 1549 CB GLU A 97 4.987 -10.293 -5.963 1.00 0.00 C ATOM 1550 CG GLU A 97 4.229 -9.037 -6.362 1.00 0.00 C ATOM 1551 CD GLU A 97 4.908 -8.278 -7.485 1.00 0.00 C ATOM 1552 OE1 GLU A 97 6.123 -8.484 -7.691 1.00 0.00 O ATOM 1553 OE2 GLU A 97 4.225 -7.479 -8.160 1.00 0.00 O ATOM 0 H GLU A 97 4.657 -9.325 -3.708 1.00 0.00 H new ATOM 0 HA GLU A 97 3.346 -11.401 -5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.000 -10.018 -5.669 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.074 -10.946 -6.831 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.220 -9.309 -6.671 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.132 -8.385 -5.494 1.00 0.00 H new ATOM 1560 N GLU A 98 5.803 -12.238 -3.286 1.00 0.00 N ATOM 1561 CA GLU A 98 6.628 -13.349 -2.823 1.00 0.00 C ATOM 1562 C GLU A 98 5.775 -14.387 -2.100 1.00 0.00 C ATOM 1563 O GLU A 98 6.154 -15.554 -1.996 1.00 0.00 O ATOM 1564 CB GLU A 98 7.736 -12.844 -1.896 1.00 0.00 C ATOM 1565 CG GLU A 98 8.646 -13.946 -1.379 1.00 0.00 C ATOM 1566 CD GLU A 98 8.534 -14.141 0.121 1.00 0.00 C ATOM 1567 OE1 GLU A 98 8.443 -13.128 0.846 1.00 0.00 O ATOM 1568 OE2 GLU A 98 8.537 -15.306 0.570 1.00 0.00 O ATOM 0 H GLU A 98 5.759 -11.446 -2.645 1.00 0.00 H new ATOM 0 HA GLU A 98 7.085 -13.819 -3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.337 -12.108 -2.430 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.283 -12.331 -1.048 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.400 -14.881 -1.882 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.679 -13.709 -1.634 1.00 0.00 H new ATOM 1575 N LEU A 99 4.620 -13.953 -1.604 1.00 0.00 N ATOM 1576 CA LEU A 99 3.710 -14.840 -0.892 1.00 0.00 C ATOM 1577 C LEU A 99 2.974 -15.756 -1.862 1.00 0.00 C ATOM 1578 O LEU A 99 3.082 -16.979 -1.782 1.00 0.00 O ATOM 1579 CB LEU A 99 2.697 -14.025 -0.088 1.00 0.00 C ATOM 1580 CG LEU A 99 1.766 -14.849 0.801 1.00 0.00 C ATOM 1581 CD1 LEU A 99 2.528 -15.412 1.989 1.00 0.00 C ATOM 1582 CD2 LEU A 99 0.588 -14.006 1.266 1.00 0.00 C ATOM 0 H LEU A 99 4.293 -12.990 -1.683 1.00 0.00 H new ATOM 0 HA LEU A 99 4.301 -15.454 -0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.239 -13.315 0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.091 -13.441 -0.781 1.00 0.00 H new ATOM 0 HG LEU A 99 1.378 -15.683 0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.851 -15.996 2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.336 -16.051 1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.945 -14.593 2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.064 -14.609 1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.954 -13.151 1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.029 -13.653 0.400 1.00 0.00 H new ATOM 1594 N VAL A 100 2.220 -15.154 -2.774 1.00 0.00 N ATOM 1595 CA VAL A 100 1.457 -15.914 -3.757 1.00 0.00 C ATOM 1596 C VAL A 100 2.369 -16.778 -4.622 1.00 0.00 C ATOM 1597 O VAL A 100 2.046 -17.926 -4.926 1.00 0.00 O ATOM 1598 CB VAL A 100 0.632 -14.986 -4.665 1.00 0.00 C ATOM 1599 CG1 VAL A 100 -0.305 -15.795 -5.549 1.00 0.00 C ATOM 1600 CG2 VAL A 100 -0.145 -13.983 -3.827 1.00 0.00 C ATOM 0 H VAL A 100 2.120 -14.142 -2.853 1.00 0.00 H new ATOM 0 HA VAL A 100 0.780 -16.560 -3.198 1.00 0.00 H new ATOM 0 HB VAL A 100 1.315 -14.436 -5.313 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.880 -15.120 -6.184 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.278 -16.472 -6.173 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.986 -16.373 -4.924 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.724 -13.333 -4.482 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.819 -14.515 -3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.551 -13.382 -3.242 1.00 0.00 H new ATOM 1610 N HIS A 101 3.509 -16.220 -5.017 1.00 0.00 N ATOM 1611 CA HIS A 101 4.465 -16.945 -5.846 1.00 0.00 C ATOM 1612 C HIS A 101 4.977 -18.189 -5.126 1.00 0.00 C ATOM 1613 O HIS A 101 5.309 -19.191 -5.758 1.00 0.00 O ATOM 1614 CB HIS A 101 5.638 -16.039 -6.222 1.00 0.00 C ATOM 1615 CG HIS A 101 5.375 -15.189 -7.427 1.00 0.00 C ATOM 1616 ND1 HIS A 101 4.106 -14.895 -7.879 1.00 0.00 N ATOM 1617 CD2 HIS A 101 6.229 -14.569 -8.277 1.00 0.00 C ATOM 1618 CE1 HIS A 101 4.190 -14.132 -8.956 1.00 0.00 C ATOM 1619 NE2 HIS A 101 5.467 -13.920 -9.216 1.00 0.00 N ATOM 0 H HIS A 101 3.793 -15.270 -4.777 1.00 0.00 H new ATOM 0 HA HIS A 101 3.953 -17.259 -6.756 1.00 0.00 H new ATOM 0 HB2 HIS A 101 5.873 -15.393 -5.376 1.00 0.00 H new ATOM 0 HB3 HIS A 101 6.518 -16.655 -6.407 1.00 0.00 H new ATOM 0 HD2 HIS A 101 7.308 -14.583 -8.225 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.357 -13.748 -9.525 1.00 0.00 H new ATOM 0 HE2 HIS A 101 5.829 -13.363 -9.990 1.00 0.00 H new ATOM 1628 N ARG A 102 5.038 -18.116 -3.800 1.00 0.00 N ATOM 1629 CA ARG A 102 5.511 -19.236 -2.994 1.00 0.00 C ATOM 1630 C ARG A 102 4.573 -20.432 -3.124 1.00 0.00 C ATOM 1631 O ARG A 102 4.711 -21.379 -2.321 1.00 0.00 O ATOM 1632 CB ARG A 102 5.630 -18.820 -1.527 1.00 0.00 C ATOM 1633 CG ARG A 102 6.931 -19.260 -0.874 1.00 0.00 C ATOM 1634 CD ARG A 102 6.827 -19.252 0.644 1.00 0.00 C ATOM 1635 NE ARG A 102 7.347 -20.482 1.235 1.00 0.00 N ATOM 1636 CZ ARG A 102 8.623 -20.855 1.166 1.00 0.00 C ATOM 1637 NH1 ARG A 102 9.511 -20.096 0.536 1.00 0.00 N ATOM 1638 NH2 ARG A 102 9.013 -21.990 1.730 1.00 0.00 N ATOM 1639 OXT ARG A 102 3.711 -20.413 -4.026 1.00 0.00 O ATOM 0 H ARG A 102 4.766 -17.294 -3.261 1.00 0.00 H new ATOM 0 HA ARG A 102 6.495 -19.528 -3.361 1.00 0.00 H new ATOM 0 HB2 ARG A 102 5.547 -17.735 -1.458 1.00 0.00 H new ATOM 0 HB3 ARG A 102 4.793 -19.240 -0.970 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.190 -20.262 -1.216 1.00 0.00 H new ATOM 0 HG3 ARG A 102 7.738 -18.598 -1.187 1.00 0.00 H new ATOM 0 HD2 ARG A 102 7.377 -18.399 1.040 1.00 0.00 H new ATOM 0 HD3 ARG A 102 5.785 -19.122 0.935 1.00 0.00 H new ATOM 0 HE ARG A 102 6.695 -21.091 1.729 1.00 0.00 H new ATOM 0 HH11 ARG A 102 9.217 -19.221 0.101 1.00 0.00 H new ATOM 0 HH12 ARG A 102 10.487 -20.387 0.487 1.00 0.00 H new ATOM 0 HH21 ARG A 102 8.335 -22.577 2.216 1.00 0.00 H new ATOM 0 HH22 ARG A 102 9.991 -22.276 1.677 1.00 0.00 H new