USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 684 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 67 THR OG1 : rot 180:sc= 0.201 USER MOD Set 1.2: A 70 SER OG : rot 85:sc=0.000289 USER MOD Set 2.1: A 20 GLN : amide:sc= -0.0915 X(o=-0.092,f=0) USER MOD Set 2.2: A 82 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 10 THR OG1 : rot -29:sc= 2.04 USER MOD Set 3.2: A 30 LYS NZ :NH3+ -168:sc= 1.98 (180deg=0) USER MOD Set 3.3: A 32 HIS : no HE2:sc= 1.68 K(o=5.7,f=-7.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 1.33 (180deg=1.14) USER MOD Single : A 2 SER OG : rot -59:sc= 0.102 USER MOD Single : A 5 LYS NZ :NH3+ -170:sc= 1.27 (180deg=1.07) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 HIS : no HE2:sc= 0.416 K(o=0.42,f=-3!) USER MOD Single : A 14 ASN : amide:sc= -0.217 K(o=-0.22,f=-4.5!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.17) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 172:sc= 2.26 (180deg=2.11) USER MOD Single : A 33 THR OG1 : rot 0:sc= 0.33 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 171:sc= 0 (180deg=-0.155) USER MOD Single : A 40 ASN : amide:sc= 0.854 K(o=0.85,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 84:sc= -0.0193 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -116:sc= -0.0617 (180deg=-1.07) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= 0.987 K(o=0.99,f=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -124:sc= -0.0142 (180deg=-0.168) USER MOD Single : A 78 THR OG1 : rot 54:sc= 0.0428 USER MOD Single : A 83 GLN : amide:sc= -0.403 X(o=-0.4,f=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.070 -13.238 -24.139 1.00 0.00 N ATOM 2 CA MET A 1 8.847 -13.850 -25.477 1.00 0.00 C ATOM 3 C MET A 1 10.050 -13.555 -26.376 1.00 0.00 C ATOM 4 O MET A 1 11.050 -14.265 -26.322 1.00 0.00 O ATOM 5 CB MET A 1 7.496 -13.332 -26.051 1.00 0.00 C ATOM 6 CG MET A 1 7.074 -13.942 -27.403 1.00 0.00 C ATOM 7 SD MET A 1 5.656 -13.079 -28.142 1.00 0.00 S ATOM 8 CE MET A 1 5.887 -13.870 -29.756 1.00 0.00 C ATOM 0 H1 MET A 1 8.304 -13.521 -23.496 1.00 0.00 H new ATOM 0 H2 MET A 1 9.981 -13.562 -23.756 1.00 0.00 H new ATOM 0 H3 MET A 1 9.081 -12.202 -24.229 1.00 0.00 H new ATOM 0 HA MET A 1 8.768 -14.935 -25.411 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.711 -13.530 -25.321 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.560 -12.250 -26.164 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.917 -13.906 -28.093 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.822 -14.993 -27.261 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.123 -13.515 -30.448 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.874 -13.620 -30.146 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.803 -14.951 -29.647 1.00 0.00 H new ATOM 20 N SER A 2 10.020 -12.466 -27.177 1.00 0.00 N ATOM 21 CA SER A 2 11.137 -12.009 -28.004 1.00 0.00 C ATOM 22 C SER A 2 11.611 -10.688 -27.417 1.00 0.00 C ATOM 23 O SER A 2 11.644 -9.639 -28.057 1.00 0.00 O ATOM 24 CB SER A 2 10.675 -11.840 -29.481 1.00 0.00 C ATOM 25 OG SER A 2 11.710 -11.387 -30.363 1.00 0.00 O ATOM 0 H SER A 2 9.194 -11.873 -27.261 1.00 0.00 H new ATOM 0 HA SER A 2 11.952 -12.733 -28.007 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.293 -12.794 -29.844 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.847 -11.132 -29.514 1.00 0.00 H new ATOM 0 HG SER A 2 12.048 -10.521 -30.053 1.00 0.00 H new ATOM 31 N ASP A 3 11.935 -10.709 -26.113 1.00 0.00 N ATOM 32 CA ASP A 3 11.965 -9.519 -25.288 1.00 0.00 C ATOM 33 C ASP A 3 13.328 -9.226 -24.720 1.00 0.00 C ATOM 34 O ASP A 3 13.756 -8.075 -24.695 1.00 0.00 O ATOM 35 CB ASP A 3 11.013 -9.741 -24.094 1.00 0.00 C ATOM 36 CG ASP A 3 9.612 -9.637 -24.606 1.00 0.00 C ATOM 37 OD1 ASP A 3 9.146 -8.494 -24.852 1.00 0.00 O ATOM 38 OD2 ASP A 3 8.956 -10.695 -24.793 1.00 0.00 O ATOM 0 H ASP A 3 12.182 -11.562 -25.612 1.00 0.00 H new ATOM 0 HA ASP A 3 11.674 -8.680 -25.920 1.00 0.00 H new ATOM 0 HB2 ASP A 3 11.185 -10.719 -23.644 1.00 0.00 H new ATOM 0 HB3 ASP A 3 11.193 -8.997 -23.318 1.00 0.00 H new ATOM 43 N GLU A 4 13.993 -10.265 -24.171 1.00 0.00 N ATOM 44 CA GLU A 4 15.288 -10.198 -23.503 1.00 0.00 C ATOM 45 C GLU A 4 15.271 -9.497 -22.142 1.00 0.00 C ATOM 46 O GLU A 4 15.907 -9.952 -21.198 1.00 0.00 O ATOM 47 CB GLU A 4 16.419 -9.710 -24.447 1.00 0.00 C ATOM 48 CG GLU A 4 16.487 -10.568 -25.734 1.00 0.00 C ATOM 49 CD GLU A 4 17.642 -10.232 -26.657 1.00 0.00 C ATOM 50 OE1 GLU A 4 17.707 -9.100 -27.201 1.00 0.00 O ATOM 51 OE2 GLU A 4 18.454 -11.158 -26.936 1.00 0.00 O ATOM 0 H GLU A 4 13.615 -11.212 -24.188 1.00 0.00 H new ATOM 0 HA GLU A 4 15.530 -11.231 -23.251 1.00 0.00 H new ATOM 0 HB2 GLU A 4 16.250 -8.666 -24.712 1.00 0.00 H new ATOM 0 HB3 GLU A 4 17.375 -9.756 -23.926 1.00 0.00 H new ATOM 0 HG2 GLU A 4 16.559 -11.618 -25.451 1.00 0.00 H new ATOM 0 HG3 GLU A 4 15.553 -10.449 -26.284 1.00 0.00 H new ATOM 58 N LYS A 5 14.496 -8.406 -22.005 1.00 0.00 N ATOM 59 CA LYS A 5 14.314 -7.496 -20.880 1.00 0.00 C ATOM 60 C LYS A 5 14.116 -8.033 -19.455 1.00 0.00 C ATOM 61 O LYS A 5 14.222 -7.283 -18.485 1.00 0.00 O ATOM 62 CB LYS A 5 13.113 -6.565 -21.205 1.00 0.00 C ATOM 63 CG LYS A 5 11.727 -7.225 -21.055 1.00 0.00 C ATOM 64 CD LYS A 5 10.643 -6.538 -21.906 1.00 0.00 C ATOM 65 CE LYS A 5 9.260 -7.204 -21.795 1.00 0.00 C ATOM 66 NZ LYS A 5 8.413 -6.814 -22.938 1.00 0.00 N ATOM 0 H LYS A 5 13.911 -8.112 -22.787 1.00 0.00 H new ATOM 0 HA LYS A 5 15.294 -7.024 -20.814 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.158 -5.694 -20.551 1.00 0.00 H new ATOM 0 HB3 LYS A 5 13.219 -6.202 -22.227 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.797 -8.274 -21.342 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.429 -7.200 -20.007 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.560 -5.495 -21.601 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.956 -6.541 -22.950 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.371 -8.288 -21.769 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.781 -6.910 -20.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.436 -7.128 -22.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.431 -5.780 -23.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.774 -7.259 -23.806 1.00 0.00 H new ATOM 80 N LYS A 6 13.782 -9.324 -19.265 1.00 0.00 N ATOM 81 CA LYS A 6 13.480 -9.875 -17.954 1.00 0.00 C ATOM 82 C LYS A 6 14.699 -10.532 -17.311 1.00 0.00 C ATOM 83 O LYS A 6 15.395 -11.355 -17.908 1.00 0.00 O ATOM 84 CB LYS A 6 12.245 -10.818 -18.003 1.00 0.00 C ATOM 85 CG LYS A 6 12.413 -12.141 -18.774 1.00 0.00 C ATOM 86 CD LYS A 6 12.600 -13.352 -17.839 1.00 0.00 C ATOM 87 CE LYS A 6 12.805 -14.678 -18.583 1.00 0.00 C ATOM 88 NZ LYS A 6 12.823 -15.817 -17.642 1.00 0.00 N ATOM 0 H LYS A 6 13.717 -10.004 -20.023 1.00 0.00 H new ATOM 0 HA LYS A 6 13.212 -9.041 -17.305 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.958 -11.056 -16.979 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.415 -10.269 -18.447 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.538 -12.304 -19.403 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.274 -12.063 -19.438 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.459 -13.172 -17.192 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.727 -13.439 -17.192 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.007 -14.817 -19.312 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.742 -14.646 -19.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.963 -16.702 -18.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.600 -15.693 -16.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.919 -15.859 -17.130 1.00 0.00 H new ATOM 102 N GLY A 7 15.015 -10.153 -16.058 1.00 0.00 N ATOM 103 CA GLY A 7 16.156 -10.726 -15.356 1.00 0.00 C ATOM 104 C GLY A 7 16.610 -9.875 -14.211 1.00 0.00 C ATOM 105 O GLY A 7 16.536 -8.649 -14.265 1.00 0.00 O ATOM 0 H GLY A 7 14.495 -9.458 -15.523 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.891 -11.716 -14.986 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.981 -10.858 -16.056 1.00 0.00 H new ATOM 109 N GLY A 8 17.102 -10.508 -13.134 1.00 0.00 N ATOM 110 CA GLY A 8 17.696 -9.823 -11.991 1.00 0.00 C ATOM 111 C GLY A 8 16.962 -10.143 -10.721 1.00 0.00 C ATOM 112 O GLY A 8 17.300 -11.107 -10.036 1.00 0.00 O ATOM 0 H GLY A 8 17.095 -11.523 -13.038 1.00 0.00 H new ATOM 0 HA2 GLY A 8 18.742 -10.115 -11.893 1.00 0.00 H new ATOM 0 HA3 GLY A 8 17.680 -8.746 -12.161 1.00 0.00 H new ATOM 116 N GLU A 9 15.946 -9.322 -10.399 1.00 0.00 N ATOM 117 CA GLU A 9 15.059 -9.441 -9.250 1.00 0.00 C ATOM 118 C GLU A 9 15.703 -9.238 -7.884 1.00 0.00 C ATOM 119 O GLU A 9 15.920 -8.099 -7.466 1.00 0.00 O ATOM 120 CB GLU A 9 14.150 -10.696 -9.305 1.00 0.00 C ATOM 121 CG GLU A 9 13.081 -10.607 -10.426 1.00 0.00 C ATOM 122 CD GLU A 9 12.069 -11.728 -10.323 1.00 0.00 C ATOM 123 OE1 GLU A 9 11.489 -11.931 -9.226 1.00 0.00 O ATOM 124 OE2 GLU A 9 11.850 -12.443 -11.339 1.00 0.00 O ATOM 0 H GLU A 9 15.717 -8.512 -10.975 1.00 0.00 H new ATOM 0 HA GLU A 9 14.408 -8.573 -9.355 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.767 -11.580 -9.465 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.653 -10.823 -8.343 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.568 -9.647 -10.365 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.570 -10.646 -11.399 1.00 0.00 H new ATOM 131 N THR A 10 15.986 -10.331 -7.147 1.00 0.00 N ATOM 132 CA THR A 10 16.348 -10.403 -5.725 1.00 0.00 C ATOM 133 C THR A 10 15.117 -10.323 -4.833 1.00 0.00 C ATOM 134 O THR A 10 14.104 -10.967 -5.093 1.00 0.00 O ATOM 135 CB THR A 10 17.544 -9.582 -5.217 1.00 0.00 C ATOM 136 OG1 THR A 10 17.302 -8.183 -5.261 1.00 0.00 O ATOM 137 CG2 THR A 10 18.771 -9.861 -6.092 1.00 0.00 C ATOM 0 H THR A 10 15.964 -11.259 -7.569 1.00 0.00 H new ATOM 0 HA THR A 10 16.782 -11.400 -5.644 1.00 0.00 H new ATOM 0 HB THR A 10 17.708 -9.880 -4.182 1.00 0.00 H new ATOM 0 HG1 THR A 10 16.671 -7.983 -5.984 1.00 0.00 H new ATOM 0 HG21 THR A 10 19.617 -9.277 -5.729 1.00 0.00 H new ATOM 0 HG22 THR A 10 19.016 -10.922 -6.047 1.00 0.00 H new ATOM 0 HG23 THR A 10 18.554 -9.582 -7.123 1.00 0.00 H new ATOM 145 N GLU A 11 15.150 -9.554 -3.728 1.00 0.00 N ATOM 146 CA GLU A 11 14.103 -9.574 -2.720 1.00 0.00 C ATOM 147 C GLU A 11 12.811 -8.847 -3.108 1.00 0.00 C ATOM 148 O GLU A 11 12.626 -7.680 -2.762 1.00 0.00 O ATOM 149 CB GLU A 11 14.627 -8.948 -1.403 1.00 0.00 C ATOM 150 CG GLU A 11 15.830 -9.692 -0.779 1.00 0.00 C ATOM 151 CD GLU A 11 16.289 -9.021 0.505 1.00 0.00 C ATOM 152 OE1 GLU A 11 16.671 -7.823 0.450 1.00 0.00 O ATOM 153 OE2 GLU A 11 16.329 -9.702 1.561 1.00 0.00 O ATOM 0 H GLU A 11 15.909 -8.905 -3.520 1.00 0.00 H new ATOM 0 HA GLU A 11 13.849 -10.628 -2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.914 -7.914 -1.595 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.814 -8.924 -0.677 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.554 -10.726 -0.573 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.654 -9.719 -1.492 1.00 0.00 H new ATOM 160 N HIS A 12 11.877 -9.524 -3.805 1.00 0.00 N ATOM 161 CA HIS A 12 10.539 -9.023 -4.111 1.00 0.00 C ATOM 162 C HIS A 12 9.469 -9.637 -3.209 1.00 0.00 C ATOM 163 O HIS A 12 9.671 -10.695 -2.621 1.00 0.00 O ATOM 164 CB HIS A 12 10.136 -9.283 -5.591 1.00 0.00 C ATOM 165 CG HIS A 12 10.713 -8.292 -6.570 1.00 0.00 C ATOM 166 ND1 HIS A 12 10.443 -6.943 -6.511 1.00 0.00 N ATOM 167 CD2 HIS A 12 11.477 -8.470 -7.683 1.00 0.00 C ATOM 168 CE1 HIS A 12 11.054 -6.367 -7.573 1.00 0.00 C ATOM 169 NE2 HIS A 12 11.692 -7.251 -8.317 1.00 0.00 N ATOM 0 H HIS A 12 12.045 -10.459 -4.177 1.00 0.00 H new ATOM 0 HA HIS A 12 10.590 -7.949 -3.932 1.00 0.00 H new ATOM 0 HB2 HIS A 12 10.458 -10.285 -5.873 1.00 0.00 H new ATOM 0 HB3 HIS A 12 9.049 -9.264 -5.669 1.00 0.00 H new ATOM 0 HD1 HIS A 12 9.887 -6.467 -5.801 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.860 -9.420 -8.024 1.00 0.00 H new ATOM 0 HE1 HIS A 12 11.023 -5.309 -7.786 1.00 0.00 H new ATOM 177 N ILE A 13 8.298 -8.968 -3.080 1.00 0.00 N ATOM 178 CA ILE A 13 7.126 -9.493 -2.372 1.00 0.00 C ATOM 179 C ILE A 13 5.847 -9.230 -3.145 1.00 0.00 C ATOM 180 O ILE A 13 5.857 -8.555 -4.173 1.00 0.00 O ATOM 181 CB ILE A 13 6.931 -8.912 -0.974 1.00 0.00 C ATOM 182 CG1 ILE A 13 6.858 -7.368 -0.962 1.00 0.00 C ATOM 183 CG2 ILE A 13 8.072 -9.444 -0.102 1.00 0.00 C ATOM 184 CD1 ILE A 13 6.222 -6.840 0.326 1.00 0.00 C ATOM 0 H ILE A 13 8.148 -8.039 -3.473 1.00 0.00 H new ATOM 0 HA ILE A 13 7.327 -10.561 -2.283 1.00 0.00 H new ATOM 0 HB ILE A 13 5.966 -9.229 -0.578 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.861 -6.956 -1.068 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.280 -7.025 -1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.970 -9.051 0.910 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.032 -10.533 -0.074 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.028 -9.127 -0.520 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.189 -5.751 0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.209 -7.231 0.418 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.815 -7.161 1.183 1.00 0.00 H new ATOM 196 N ASN A 14 4.709 -9.754 -2.637 1.00 0.00 N ATOM 197 CA ASN A 14 3.380 -9.584 -3.195 1.00 0.00 C ATOM 198 C ASN A 14 2.418 -9.111 -2.120 1.00 0.00 C ATOM 199 O ASN A 14 2.148 -9.827 -1.159 1.00 0.00 O ATOM 200 CB ASN A 14 2.806 -10.914 -3.737 1.00 0.00 C ATOM 201 CG ASN A 14 3.512 -11.280 -5.022 1.00 0.00 C ATOM 202 OD1 ASN A 14 2.981 -11.042 -6.110 1.00 0.00 O ATOM 203 ND2 ASN A 14 4.710 -11.891 -4.935 1.00 0.00 N ATOM 0 H ASN A 14 4.709 -10.327 -1.793 1.00 0.00 H new ATOM 0 HA ASN A 14 3.477 -8.859 -4.003 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.936 -11.706 -3.000 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.735 -10.815 -3.913 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.203 -12.170 -5.783 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.124 -12.074 -4.021 1.00 0.00 H new ATOM 210 N LEU A 15 1.853 -7.903 -2.290 1.00 0.00 N ATOM 211 CA LEU A 15 0.866 -7.352 -1.386 1.00 0.00 C ATOM 212 C LEU A 15 -0.539 -7.669 -1.874 1.00 0.00 C ATOM 213 O LEU A 15 -0.825 -7.655 -3.071 1.00 0.00 O ATOM 214 CB LEU A 15 0.994 -5.813 -1.228 1.00 0.00 C ATOM 215 CG LEU A 15 2.347 -5.334 -0.657 1.00 0.00 C ATOM 216 CD1 LEU A 15 3.388 -5.036 -1.749 1.00 0.00 C ATOM 217 CD2 LEU A 15 2.146 -4.084 0.214 1.00 0.00 C ATOM 0 H LEU A 15 2.081 -7.287 -3.071 1.00 0.00 H new ATOM 0 HA LEU A 15 1.049 -7.814 -0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.840 -5.347 -2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.195 -5.460 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 15 2.735 -6.154 -0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.317 -4.704 -1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.575 -5.939 -2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.011 -4.253 -2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.108 -3.758 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.712 -3.286 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.475 -4.320 1.040 1.00 0.00 H new ATOM 229 N LYS A 16 -1.461 -7.951 -0.938 1.00 0.00 N ATOM 230 CA LYS A 16 -2.856 -8.247 -1.200 1.00 0.00 C ATOM 231 C LYS A 16 -3.705 -7.021 -0.914 1.00 0.00 C ATOM 232 O LYS A 16 -3.919 -6.649 0.236 1.00 0.00 O ATOM 233 CB LYS A 16 -3.337 -9.395 -0.279 1.00 0.00 C ATOM 234 CG LYS A 16 -2.773 -10.776 -0.646 1.00 0.00 C ATOM 235 CD LYS A 16 -3.519 -11.427 -1.824 1.00 0.00 C ATOM 236 CE LYS A 16 -3.140 -12.899 -2.001 1.00 0.00 C ATOM 237 NZ LYS A 16 -4.148 -13.621 -2.799 1.00 0.00 N ATOM 0 H LYS A 16 -1.233 -7.977 0.056 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.956 -8.540 -2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.058 -9.162 0.749 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.426 -9.439 -0.311 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.717 -10.677 -0.899 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.832 -11.431 0.223 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.594 -11.347 -1.661 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.294 -10.882 -2.741 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.168 -12.970 -2.489 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.041 -13.371 -1.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.862 -14.616 -2.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.070 -13.573 -2.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.224 -13.184 -3.740 1.00 0.00 H new ATOM 251 N VAL A 17 -4.211 -6.365 -1.972 1.00 0.00 N ATOM 252 CA VAL A 17 -4.968 -5.132 -1.873 1.00 0.00 C ATOM 253 C VAL A 17 -6.458 -5.438 -1.917 1.00 0.00 C ATOM 254 O VAL A 17 -7.043 -5.674 -2.974 1.00 0.00 O ATOM 255 CB VAL A 17 -4.589 -4.164 -2.988 1.00 0.00 C ATOM 256 CG1 VAL A 17 -5.261 -2.798 -2.770 1.00 0.00 C ATOM 257 CG2 VAL A 17 -3.055 -3.996 -3.028 1.00 0.00 C ATOM 0 H VAL A 17 -4.097 -6.693 -2.931 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.729 -4.655 -0.923 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.935 -4.570 -3.939 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.978 -2.121 -3.576 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.344 -2.922 -2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.938 -2.382 -1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.785 -3.304 -3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.707 -3.602 -2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.588 -4.963 -3.214 1.00 0.00 H new ATOM 267 N LEU A 18 -7.111 -5.470 -0.744 1.00 0.00 N ATOM 268 CA LEU A 18 -8.486 -5.901 -0.579 1.00 0.00 C ATOM 269 C LEU A 18 -9.461 -4.727 -0.640 1.00 0.00 C ATOM 270 O LEU A 18 -9.625 -3.970 0.316 1.00 0.00 O ATOM 271 CB LEU A 18 -8.657 -6.632 0.779 1.00 0.00 C ATOM 272 CG LEU A 18 -7.756 -7.871 0.972 1.00 0.00 C ATOM 273 CD1 LEU A 18 -7.809 -8.348 2.430 1.00 0.00 C ATOM 274 CD2 LEU A 18 -8.151 -9.028 0.045 1.00 0.00 C ATOM 0 H LEU A 18 -6.674 -5.186 0.133 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.713 -6.579 -1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.454 -5.925 1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.698 -6.939 0.880 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.741 -7.567 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.169 -9.222 2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.461 -7.550 3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.834 -8.611 2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.488 -9.876 0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.180 -9.324 0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.066 -8.708 -0.993 1.00 0.00 H new ATOM 286 N GLY A 19 -10.152 -4.520 -1.777 1.00 0.00 N ATOM 287 CA GLY A 19 -11.098 -3.415 -1.916 1.00 0.00 C ATOM 288 C GLY A 19 -12.473 -3.710 -1.372 1.00 0.00 C ATOM 289 O GLY A 19 -13.054 -4.763 -1.628 1.00 0.00 O ATOM 0 H GLY A 19 -10.068 -5.107 -2.607 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.696 -2.540 -1.404 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.184 -3.155 -2.971 1.00 0.00 H new ATOM 293 N GLN A 20 -13.082 -2.751 -0.634 1.00 0.00 N ATOM 294 CA GLN A 20 -14.470 -2.889 -0.189 1.00 0.00 C ATOM 295 C GLN A 20 -15.463 -2.876 -1.354 1.00 0.00 C ATOM 296 O GLN A 20 -16.480 -3.571 -1.362 1.00 0.00 O ATOM 297 CB GLN A 20 -14.855 -1.847 0.897 1.00 0.00 C ATOM 298 CG GLN A 20 -16.272 -2.103 1.479 1.00 0.00 C ATOM 299 CD GLN A 20 -16.560 -1.383 2.796 1.00 0.00 C ATOM 300 OE1 GLN A 20 -17.320 -0.415 2.872 1.00 0.00 O ATOM 301 NE2 GLN A 20 -15.959 -1.889 3.898 1.00 0.00 N ATOM 0 H GLN A 20 -12.630 -1.885 -0.342 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.536 -3.873 0.276 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -14.122 -1.877 1.703 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.816 -0.846 0.468 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -17.014 -1.795 0.742 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -16.400 -3.175 1.631 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -15.333 -2.690 3.815 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -16.132 -1.469 4.811 1.00 0.00 H new ATOM 310 N ASP A 21 -15.133 -2.126 -2.425 1.00 0.00 N ATOM 311 CA ASP A 21 -15.857 -2.067 -3.680 1.00 0.00 C ATOM 312 C ASP A 21 -15.525 -3.272 -4.588 1.00 0.00 C ATOM 313 O ASP A 21 -15.206 -3.158 -5.773 1.00 0.00 O ATOM 314 CB ASP A 21 -15.505 -0.694 -4.308 1.00 0.00 C ATOM 315 CG ASP A 21 -16.395 -0.335 -5.471 1.00 0.00 C ATOM 316 OD1 ASP A 21 -17.643 -0.438 -5.332 1.00 0.00 O ATOM 317 OD2 ASP A 21 -15.859 0.049 -6.541 1.00 0.00 O ATOM 0 H ASP A 21 -14.312 -1.521 -2.423 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.935 -2.141 -3.534 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.584 0.080 -3.544 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.467 -0.708 -4.642 1.00 0.00 H new ATOM 322 N ASN A 22 -15.604 -4.488 -4.007 1.00 0.00 N ATOM 323 CA ASN A 22 -15.433 -5.793 -4.627 1.00 0.00 C ATOM 324 C ASN A 22 -14.041 -6.155 -5.149 1.00 0.00 C ATOM 325 O ASN A 22 -13.533 -7.233 -4.854 1.00 0.00 O ATOM 326 CB ASN A 22 -16.521 -6.095 -5.694 1.00 0.00 C ATOM 327 CG ASN A 22 -17.911 -6.001 -5.075 1.00 0.00 C ATOM 328 OD1 ASN A 22 -18.708 -5.122 -5.383 1.00 0.00 O ATOM 329 ND2 ASN A 22 -18.222 -6.945 -4.154 1.00 0.00 N ATOM 0 H ASN A 22 -15.806 -4.575 -3.011 1.00 0.00 H new ATOM 0 HA ASN A 22 -15.564 -6.456 -3.771 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -16.435 -5.389 -6.520 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.367 -7.091 -6.108 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -19.136 -6.934 -3.701 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -17.542 -7.667 -3.914 1.00 0.00 H new ATOM 336 N ALA A 23 -13.389 -5.308 -5.960 1.00 0.00 N ATOM 337 CA ALA A 23 -12.163 -5.664 -6.651 1.00 0.00 C ATOM 338 C ALA A 23 -10.920 -5.828 -5.769 1.00 0.00 C ATOM 339 O ALA A 23 -10.450 -4.898 -5.115 1.00 0.00 O ATOM 340 CB ALA A 23 -11.878 -4.627 -7.755 1.00 0.00 C ATOM 0 H ALA A 23 -13.707 -4.357 -6.148 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.348 -6.657 -7.061 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.958 -4.893 -8.275 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.705 -4.615 -8.465 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.769 -3.639 -7.307 1.00 0.00 H new ATOM 346 N VAL A 24 -10.341 -7.046 -5.755 1.00 0.00 N ATOM 347 CA VAL A 24 -9.078 -7.339 -5.094 1.00 0.00 C ATOM 348 C VAL A 24 -7.925 -7.260 -6.092 1.00 0.00 C ATOM 349 O VAL A 24 -7.960 -7.865 -7.166 1.00 0.00 O ATOM 350 CB VAL A 24 -9.110 -8.705 -4.412 1.00 0.00 C ATOM 351 CG1 VAL A 24 -7.762 -9.034 -3.742 1.00 0.00 C ATOM 352 CG2 VAL A 24 -10.227 -8.701 -3.350 1.00 0.00 C ATOM 0 H VAL A 24 -10.754 -7.858 -6.213 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.921 -6.588 -4.320 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.301 -9.467 -5.167 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.821 -10.013 -3.267 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.974 -9.043 -4.495 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.536 -8.279 -2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.261 -9.671 -2.854 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.025 -7.924 -2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.185 -8.505 -3.831 1.00 0.00 H new ATOM 362 N VAL A 25 -6.861 -6.500 -5.762 1.00 0.00 N ATOM 363 CA VAL A 25 -5.720 -6.227 -6.637 1.00 0.00 C ATOM 364 C VAL A 25 -4.444 -6.727 -5.956 1.00 0.00 C ATOM 365 O VAL A 25 -4.418 -6.941 -4.744 1.00 0.00 O ATOM 366 CB VAL A 25 -5.641 -4.729 -6.980 1.00 0.00 C ATOM 367 CG1 VAL A 25 -4.548 -4.424 -8.026 1.00 0.00 C ATOM 368 CG2 VAL A 25 -7.003 -4.262 -7.537 1.00 0.00 C ATOM 0 H VAL A 25 -6.777 -6.049 -4.851 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.842 -6.757 -7.582 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.388 -4.197 -6.063 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.532 -3.354 -8.234 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.577 -4.733 -7.638 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.762 -4.969 -8.945 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.952 -3.201 -7.781 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.243 -4.830 -8.436 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.778 -4.425 -6.788 1.00 0.00 H new ATOM 378 N GLN A 26 -3.349 -6.991 -6.697 1.00 0.00 N ATOM 379 CA GLN A 26 -2.059 -7.342 -6.117 1.00 0.00 C ATOM 380 C GLN A 26 -0.957 -6.423 -6.622 1.00 0.00 C ATOM 381 O GLN A 26 -0.917 -6.065 -7.798 1.00 0.00 O ATOM 382 CB GLN A 26 -1.631 -8.805 -6.412 1.00 0.00 C ATOM 383 CG GLN A 26 -2.555 -9.878 -5.792 1.00 0.00 C ATOM 384 CD GLN A 26 -3.834 -10.081 -6.599 1.00 0.00 C ATOM 385 OE1 GLN A 26 -3.828 -10.387 -7.793 1.00 0.00 O ATOM 386 NE2 GLN A 26 -4.996 -9.926 -5.931 1.00 0.00 N ATOM 0 H GLN A 26 -3.346 -6.964 -7.717 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.193 -7.228 -5.041 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.599 -8.951 -7.492 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.618 -8.956 -6.040 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.016 -10.823 -5.726 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.813 -9.587 -4.774 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.986 -9.673 -4.943 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.884 -10.062 -6.414 1.00 0.00 H new ATOM 395 N PHE A 27 -0.015 -6.027 -5.741 1.00 0.00 N ATOM 396 CA PHE A 27 1.125 -5.196 -6.110 1.00 0.00 C ATOM 397 C PHE A 27 2.429 -5.902 -5.769 1.00 0.00 C ATOM 398 O PHE A 27 2.513 -6.631 -4.782 1.00 0.00 O ATOM 399 CB PHE A 27 1.147 -3.829 -5.362 1.00 0.00 C ATOM 400 CG PHE A 27 -0.017 -2.911 -5.650 1.00 0.00 C ATOM 401 CD1 PHE A 27 -0.735 -2.909 -6.862 1.00 0.00 C ATOM 402 CD2 PHE A 27 -0.370 -1.971 -4.665 1.00 0.00 C ATOM 403 CE1 PHE A 27 -1.809 -2.031 -7.060 1.00 0.00 C ATOM 404 CE2 PHE A 27 -1.431 -1.078 -4.866 1.00 0.00 C ATOM 405 CZ PHE A 27 -2.159 -1.117 -6.060 1.00 0.00 C ATOM 0 H PHE A 27 -0.034 -6.281 -4.753 1.00 0.00 H new ATOM 0 HA PHE A 27 1.025 -5.021 -7.181 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.178 -4.022 -4.290 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.070 -3.309 -5.619 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.454 -3.593 -7.649 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.185 -1.937 -3.739 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.367 -2.060 -7.984 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.686 -0.361 -4.100 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.989 -0.443 -6.210 1.00 0.00 H new ATOM 415 N LYS A 28 3.497 -5.682 -6.567 1.00 0.00 N ATOM 416 CA LYS A 28 4.836 -6.177 -6.278 1.00 0.00 C ATOM 417 C LYS A 28 5.784 -5.014 -5.987 1.00 0.00 C ATOM 418 O LYS A 28 5.745 -3.976 -6.644 1.00 0.00 O ATOM 419 CB LYS A 28 5.414 -7.039 -7.439 1.00 0.00 C ATOM 420 CG LYS A 28 4.677 -8.377 -7.632 1.00 0.00 C ATOM 421 CD LYS A 28 5.322 -9.311 -8.684 1.00 0.00 C ATOM 422 CE LYS A 28 4.720 -10.727 -8.642 1.00 0.00 C ATOM 423 NZ LYS A 28 5.427 -11.697 -9.498 1.00 0.00 N ATOM 0 H LYS A 28 3.440 -5.149 -7.435 1.00 0.00 H new ATOM 0 HA LYS A 28 4.752 -6.816 -5.399 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.363 -6.468 -8.366 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.468 -7.238 -7.244 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.637 -8.898 -6.676 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.648 -8.173 -7.927 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.184 -8.887 -9.679 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.396 -9.368 -8.508 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.732 -11.087 -7.613 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.676 -10.678 -8.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.968 -12.627 -9.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.394 -11.376 -10.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.418 -11.773 -9.191 1.00 0.00 H new ATOM 437 N ILE A 29 6.672 -5.159 -4.981 1.00 0.00 N ATOM 438 CA ILE A 29 7.672 -4.154 -4.624 1.00 0.00 C ATOM 439 C ILE A 29 8.919 -4.909 -4.166 1.00 0.00 C ATOM 440 O ILE A 29 8.921 -6.139 -4.199 1.00 0.00 O ATOM 441 CB ILE A 29 7.133 -3.164 -3.580 1.00 0.00 C ATOM 442 CG1 ILE A 29 7.900 -1.814 -3.568 1.00 0.00 C ATOM 443 CG2 ILE A 29 6.993 -3.834 -2.193 1.00 0.00 C ATOM 444 CD1 ILE A 29 7.447 -0.850 -2.467 1.00 0.00 C ATOM 0 H ILE A 29 6.708 -5.991 -4.392 1.00 0.00 H new ATOM 0 HA ILE A 29 7.927 -3.529 -5.480 1.00 0.00 H new ATOM 0 HB ILE A 29 6.123 -2.885 -3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.965 -2.014 -3.446 1.00 0.00 H new ATOM 0 HG13 ILE A 29 7.775 -1.328 -4.536 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.610 -3.109 -1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.303 -4.675 -2.263 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.968 -4.192 -1.862 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.030 0.069 -2.525 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.390 -0.618 -2.599 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.598 -1.314 -1.492 1.00 0.00 H new ATOM 456 N LYS A 30 10.023 -4.245 -3.748 1.00 0.00 N ATOM 457 CA LYS A 30 11.149 -4.913 -3.111 1.00 0.00 C ATOM 458 C LYS A 30 11.062 -4.783 -1.588 1.00 0.00 C ATOM 459 O LYS A 30 10.383 -3.917 -1.044 1.00 0.00 O ATOM 460 CB LYS A 30 12.542 -4.392 -3.570 1.00 0.00 C ATOM 461 CG LYS A 30 12.880 -4.628 -5.055 1.00 0.00 C ATOM 462 CD LYS A 30 14.387 -4.464 -5.349 1.00 0.00 C ATOM 463 CE LYS A 30 15.209 -5.704 -4.962 1.00 0.00 C ATOM 464 NZ LYS A 30 16.663 -5.432 -5.001 1.00 0.00 N ATOM 0 H LYS A 30 10.144 -3.237 -3.849 1.00 0.00 H new ATOM 0 HA LYS A 30 11.072 -5.955 -3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.595 -3.322 -3.368 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.309 -4.870 -2.960 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.564 -5.631 -5.342 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.314 -3.927 -5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.525 -4.259 -6.411 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.766 -3.599 -4.806 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.927 -6.030 -3.961 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.974 -6.523 -5.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 17.186 -6.329 -4.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 16.903 -4.955 -5.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 16.923 -4.821 -4.201 1.00 0.00 H new ATOM 478 N LYS A 31 11.756 -5.663 -0.840 1.00 0.00 N ATOM 479 CA LYS A 31 11.711 -5.682 0.620 1.00 0.00 C ATOM 480 C LYS A 31 12.463 -4.569 1.327 1.00 0.00 C ATOM 481 O LYS A 31 11.970 -3.977 2.284 1.00 0.00 O ATOM 482 CB LYS A 31 12.182 -7.042 1.186 1.00 0.00 C ATOM 483 CG LYS A 31 11.340 -8.170 0.587 1.00 0.00 C ATOM 484 CD LYS A 31 11.341 -9.497 1.368 1.00 0.00 C ATOM 485 CE LYS A 31 10.567 -9.403 2.688 1.00 0.00 C ATOM 486 NZ LYS A 31 9.966 -10.691 3.036 1.00 0.00 N ATOM 0 H LYS A 31 12.362 -6.379 -1.240 1.00 0.00 H new ATOM 0 HA LYS A 31 10.655 -5.513 0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.235 -7.198 0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.092 -7.045 2.272 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.311 -7.822 0.501 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.696 -8.366 -0.424 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.903 -10.279 0.749 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.370 -9.793 1.574 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.238 -9.083 3.485 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.788 -8.645 2.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.564 -10.639 3.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.212 -10.917 2.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.694 -11.433 3.006 1.00 0.00 H new ATOM 500 N HIS A 32 13.692 -4.251 0.886 1.00 0.00 N ATOM 501 CA HIS A 32 14.486 -3.183 1.471 1.00 0.00 C ATOM 502 C HIS A 32 14.110 -1.784 0.980 1.00 0.00 C ATOM 503 O HIS A 32 14.655 -0.788 1.452 1.00 0.00 O ATOM 504 CB HIS A 32 15.991 -3.456 1.226 1.00 0.00 C ATOM 505 CG HIS A 32 16.297 -3.947 -0.165 1.00 0.00 C ATOM 506 ND1 HIS A 32 16.595 -5.259 -0.459 1.00 0.00 N ATOM 507 CD2 HIS A 32 16.367 -3.278 -1.350 1.00 0.00 C ATOM 508 CE1 HIS A 32 16.847 -5.325 -1.783 1.00 0.00 C ATOM 509 NE2 HIS A 32 16.693 -4.153 -2.379 1.00 0.00 N ATOM 0 H HIS A 32 14.153 -4.733 0.114 1.00 0.00 H new ATOM 0 HA HIS A 32 14.268 -3.188 2.539 1.00 0.00 H new ATOM 0 HB2 HIS A 32 16.552 -2.540 1.411 1.00 0.00 H new ATOM 0 HB3 HIS A 32 16.340 -4.195 1.948 1.00 0.00 H new ATOM 0 HD1 HIS A 32 16.620 -6.036 0.201 1.00 0.00 H new ATOM 0 HD2 HIS A 32 16.194 -2.219 -1.472 1.00 0.00 H new ATOM 0 HE1 HIS A 32 17.140 -6.229 -2.297 1.00 0.00 H new ATOM 517 N THR A 33 13.150 -1.672 0.034 1.00 0.00 N ATOM 518 CA THR A 33 12.633 -0.395 -0.462 1.00 0.00 C ATOM 519 C THR A 33 11.471 0.088 0.397 1.00 0.00 C ATOM 520 O THR A 33 10.562 -0.701 0.656 1.00 0.00 O ATOM 521 CB THR A 33 12.130 -0.413 -1.916 1.00 0.00 C ATOM 522 OG1 THR A 33 11.273 -1.511 -2.208 1.00 0.00 O ATOM 523 CG2 THR A 33 13.313 -0.571 -2.883 1.00 0.00 C ATOM 0 H THR A 33 12.713 -2.482 -0.406 1.00 0.00 H new ATOM 0 HA THR A 33 13.496 0.269 -0.412 1.00 0.00 H new ATOM 0 HB THR A 33 11.591 0.527 -2.036 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.158 -2.059 -1.404 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.945 -0.582 -3.909 1.00 0.00 H new ATOM 0 HG22 THR A 33 14.002 0.263 -2.754 1.00 0.00 H new ATOM 0 HG23 THR A 33 13.832 -1.506 -2.673 1.00 0.00 H new ATOM 531 N PRO A 34 11.407 1.335 0.872 1.00 0.00 N ATOM 532 CA PRO A 34 10.272 1.811 1.659 1.00 0.00 C ATOM 533 C PRO A 34 9.032 2.026 0.794 1.00 0.00 C ATOM 534 O PRO A 34 9.134 2.203 -0.420 1.00 0.00 O ATOM 535 CB PRO A 34 10.786 3.135 2.252 1.00 0.00 C ATOM 536 CG PRO A 34 11.798 3.648 1.223 1.00 0.00 C ATOM 537 CD PRO A 34 12.436 2.363 0.694 1.00 0.00 C ATOM 0 HA PRO A 34 9.956 1.097 2.420 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.973 3.846 2.398 1.00 0.00 H new ATOM 0 HB3 PRO A 34 11.253 2.980 3.225 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.313 4.214 0.428 1.00 0.00 H new ATOM 0 HG3 PRO A 34 12.537 4.307 1.678 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.718 2.463 -0.354 1.00 0.00 H new ATOM 0 HD3 PRO A 34 13.343 2.115 1.246 1.00 0.00 H new ATOM 545 N LEU A 35 7.829 2.010 1.400 1.00 0.00 N ATOM 546 CA LEU A 35 6.583 1.859 0.665 1.00 0.00 C ATOM 547 C LEU A 35 6.112 3.140 -0.006 1.00 0.00 C ATOM 548 O LEU A 35 5.438 3.106 -1.038 1.00 0.00 O ATOM 549 CB LEU A 35 5.447 1.338 1.582 1.00 0.00 C ATOM 550 CG LEU A 35 5.551 -0.138 2.046 1.00 0.00 C ATOM 551 CD1 LEU A 35 5.545 -1.147 0.887 1.00 0.00 C ATOM 552 CD2 LEU A 35 6.730 -0.409 2.993 1.00 0.00 C ATOM 0 H LEU A 35 7.706 2.102 2.408 1.00 0.00 H new ATOM 0 HA LEU A 35 6.805 1.132 -0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.407 1.972 2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.500 1.464 1.057 1.00 0.00 H new ATOM 0 HG LEU A 35 4.637 -0.294 2.619 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.621 -2.159 1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.618 -1.047 0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.392 -0.951 0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.736 -1.462 3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.665 -0.162 2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.626 0.204 3.888 1.00 0.00 H new ATOM 564 N ARG A 36 6.489 4.316 0.546 1.00 0.00 N ATOM 565 CA ARG A 36 6.066 5.640 0.102 1.00 0.00 C ATOM 566 C ARG A 36 6.245 5.908 -1.391 1.00 0.00 C ATOM 567 O ARG A 36 5.389 6.512 -2.041 1.00 0.00 O ATOM 568 CB ARG A 36 6.780 6.744 0.931 1.00 0.00 C ATOM 569 CG ARG A 36 6.110 8.130 0.801 1.00 0.00 C ATOM 570 CD ARG A 36 6.596 9.219 1.771 1.00 0.00 C ATOM 571 NE ARG A 36 5.866 10.471 1.361 1.00 0.00 N ATOM 572 CZ ARG A 36 4.979 11.133 2.108 1.00 0.00 C ATOM 573 NH1 ARG A 36 4.585 10.773 3.318 1.00 0.00 N ATOM 574 NH2 ARG A 36 4.395 12.223 1.612 1.00 0.00 N ATOM 0 H ARG A 36 7.122 4.357 1.345 1.00 0.00 H new ATOM 0 HA ARG A 36 4.990 5.667 0.276 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.793 6.450 1.981 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.818 6.818 0.608 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.261 8.488 -0.217 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.036 8.004 0.939 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.372 8.954 2.804 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.676 9.353 1.703 1.00 0.00 H new ATOM 0 HE ARG A 36 6.066 10.845 0.433 1.00 0.00 H new ATOM 0 HH11 ARG A 36 4.965 9.930 3.748 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.901 11.338 3.821 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.627 12.543 0.672 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.716 12.738 2.173 1.00 0.00 H new ATOM 588 N LYS A 37 7.352 5.411 -1.980 1.00 0.00 N ATOM 589 CA LYS A 37 7.674 5.515 -3.393 1.00 0.00 C ATOM 590 C LYS A 37 6.616 4.883 -4.300 1.00 0.00 C ATOM 591 O LYS A 37 6.194 5.480 -5.291 1.00 0.00 O ATOM 592 CB LYS A 37 9.077 4.893 -3.652 1.00 0.00 C ATOM 593 CG LYS A 37 9.752 5.309 -4.974 1.00 0.00 C ATOM 594 CD LYS A 37 9.343 4.516 -6.233 1.00 0.00 C ATOM 595 CE LYS A 37 10.230 3.305 -6.550 1.00 0.00 C ATOM 596 NZ LYS A 37 9.794 2.696 -7.820 1.00 0.00 N ATOM 0 H LYS A 37 8.066 4.909 -1.452 1.00 0.00 H new ATOM 0 HA LYS A 37 7.688 6.575 -3.649 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.735 5.166 -2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.982 3.807 -3.638 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.538 6.363 -5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.831 5.219 -4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.315 4.173 -6.111 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.355 5.191 -7.089 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.273 3.613 -6.621 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.168 2.574 -5.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.395 1.875 -8.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.804 2.388 -7.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.875 3.395 -8.586 1.00 0.00 H new ATOM 610 N LEU A 38 6.153 3.661 -3.956 1.00 0.00 N ATOM 611 CA LEU A 38 5.128 2.918 -4.674 1.00 0.00 C ATOM 612 C LEU A 38 3.757 3.550 -4.499 1.00 0.00 C ATOM 613 O LEU A 38 3.050 3.804 -5.474 1.00 0.00 O ATOM 614 CB LEU A 38 5.071 1.452 -4.165 1.00 0.00 C ATOM 615 CG LEU A 38 4.063 0.529 -4.890 1.00 0.00 C ATOM 616 CD1 LEU A 38 4.551 0.109 -6.283 1.00 0.00 C ATOM 617 CD2 LEU A 38 3.766 -0.720 -4.051 1.00 0.00 C ATOM 0 H LEU A 38 6.504 3.159 -3.140 1.00 0.00 H new ATOM 0 HA LEU A 38 5.393 2.938 -5.731 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.066 1.016 -4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.825 1.465 -3.103 1.00 0.00 H new ATOM 0 HG LEU A 38 3.148 1.108 -5.017 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.808 -0.538 -6.749 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.698 0.996 -6.900 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.494 -0.430 -6.191 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.055 -1.354 -4.581 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.690 -1.273 -3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.342 -0.422 -3.092 1.00 0.00 H new ATOM 629 N MET A 39 3.378 3.851 -3.237 1.00 0.00 N ATOM 630 CA MET A 39 2.132 4.503 -2.855 1.00 0.00 C ATOM 631 C MET A 39 1.881 5.794 -3.620 1.00 0.00 C ATOM 632 O MET A 39 0.850 5.969 -4.266 1.00 0.00 O ATOM 633 CB MET A 39 2.139 4.834 -1.341 1.00 0.00 C ATOM 634 CG MET A 39 2.143 3.597 -0.421 1.00 0.00 C ATOM 635 SD MET A 39 2.585 3.970 1.306 1.00 0.00 S ATOM 636 CE MET A 39 1.112 4.948 1.722 1.00 0.00 C ATOM 0 H MET A 39 3.965 3.632 -2.432 1.00 0.00 H new ATOM 0 HA MET A 39 1.336 3.799 -3.098 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.016 5.441 -1.118 1.00 0.00 H new ATOM 0 HB3 MET A 39 1.264 5.441 -1.110 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.155 3.136 -0.443 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.846 2.864 -0.816 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.099 5.148 2.793 1.00 0.00 H new ATOM 0 HE2 MET A 39 1.136 5.892 1.177 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.216 4.392 1.445 1.00 0.00 H new ATOM 646 N ASN A 40 2.866 6.716 -3.610 1.00 0.00 N ATOM 647 CA ASN A 40 2.776 7.960 -4.348 1.00 0.00 C ATOM 648 C ASN A 40 2.747 7.721 -5.847 1.00 0.00 C ATOM 649 O ASN A 40 1.840 8.211 -6.501 1.00 0.00 O ATOM 650 CB ASN A 40 3.891 8.969 -3.977 1.00 0.00 C ATOM 651 CG ASN A 40 3.595 9.605 -2.623 1.00 0.00 C ATOM 652 OD1 ASN A 40 3.172 10.752 -2.522 1.00 0.00 O ATOM 653 ND2 ASN A 40 3.819 8.852 -1.524 1.00 0.00 N ATOM 0 H ASN A 40 3.735 6.605 -3.088 1.00 0.00 H new ATOM 0 HA ASN A 40 1.829 8.412 -4.052 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.855 8.462 -3.946 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.962 9.742 -4.742 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.636 9.236 -0.597 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.171 7.900 -1.621 1.00 0.00 H new ATOM 660 N ALA A 41 3.668 6.917 -6.427 1.00 0.00 N ATOM 661 CA ALA A 41 3.701 6.621 -7.856 1.00 0.00 C ATOM 662 C ALA A 41 2.395 6.090 -8.455 1.00 0.00 C ATOM 663 O ALA A 41 1.977 6.491 -9.541 1.00 0.00 O ATOM 664 CB ALA A 41 4.823 5.605 -8.153 1.00 0.00 C ATOM 0 H ALA A 41 4.411 6.457 -5.901 1.00 0.00 H new ATOM 0 HA ALA A 41 3.879 7.586 -8.331 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.843 5.387 -9.221 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.783 6.024 -7.850 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.637 4.685 -7.599 1.00 0.00 H new ATOM 670 N TYR A 42 1.704 5.179 -7.745 1.00 0.00 N ATOM 671 CA TYR A 42 0.409 4.664 -8.158 1.00 0.00 C ATOM 672 C TYR A 42 -0.687 5.726 -8.084 1.00 0.00 C ATOM 673 O TYR A 42 -1.464 5.889 -9.024 1.00 0.00 O ATOM 674 CB TYR A 42 0.029 3.392 -7.345 1.00 0.00 C ATOM 675 CG TYR A 42 0.560 2.152 -8.033 1.00 0.00 C ATOM 676 CD1 TYR A 42 1.936 1.966 -8.263 1.00 0.00 C ATOM 677 CD2 TYR A 42 -0.334 1.169 -8.494 1.00 0.00 C ATOM 678 CE1 TYR A 42 2.400 0.844 -8.967 1.00 0.00 C ATOM 679 CE2 TYR A 42 0.130 0.039 -9.184 1.00 0.00 C ATOM 680 CZ TYR A 42 1.498 -0.120 -9.424 1.00 0.00 C ATOM 681 OH TYR A 42 1.984 -1.231 -10.141 1.00 0.00 O ATOM 0 H TYR A 42 2.040 4.785 -6.866 1.00 0.00 H new ATOM 0 HA TYR A 42 0.495 4.379 -9.207 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.438 3.460 -6.337 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.054 3.326 -7.246 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.643 2.695 -7.894 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -1.393 1.286 -8.314 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.457 0.726 -9.156 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.569 -0.708 -9.530 1.00 0.00 H new ATOM 0 HH TYR A 42 1.236 -1.813 -10.390 1.00 0.00 H new ATOM 691 N CYS A 43 -0.747 6.518 -6.994 1.00 0.00 N ATOM 692 CA CYS A 43 -1.655 7.656 -6.889 1.00 0.00 C ATOM 693 C CYS A 43 -1.395 8.734 -7.943 1.00 0.00 C ATOM 694 O CYS A 43 -2.333 9.214 -8.575 1.00 0.00 O ATOM 695 CB CYS A 43 -1.626 8.297 -5.475 1.00 0.00 C ATOM 696 SG CYS A 43 -2.254 7.155 -4.197 1.00 0.00 S ATOM 0 H CYS A 43 -0.164 6.379 -6.168 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.647 7.243 -7.072 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.605 8.590 -5.230 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.227 9.206 -5.476 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.294 6.369 -3.808 1.00 0.00 H new ATOM 702 N ASP A 44 -0.114 9.088 -8.192 1.00 0.00 N ATOM 703 CA ASP A 44 0.369 9.990 -9.227 1.00 0.00 C ATOM 704 C ASP A 44 -0.087 9.604 -10.626 1.00 0.00 C ATOM 705 O ASP A 44 -0.633 10.411 -11.377 1.00 0.00 O ATOM 706 CB ASP A 44 1.932 9.987 -9.228 1.00 0.00 C ATOM 707 CG ASP A 44 2.495 11.329 -8.844 1.00 0.00 C ATOM 708 OD1 ASP A 44 2.257 12.293 -9.618 1.00 0.00 O ATOM 709 OD2 ASP A 44 3.222 11.434 -7.828 1.00 0.00 O ATOM 0 H ASP A 44 0.651 8.718 -7.629 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.044 10.971 -8.993 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.294 9.229 -8.534 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.294 9.711 -10.218 1.00 0.00 H new ATOM 714 N ARG A 45 0.161 8.342 -11.026 1.00 0.00 N ATOM 715 CA ARG A 45 -0.098 7.871 -12.373 1.00 0.00 C ATOM 716 C ARG A 45 -1.579 7.617 -12.644 1.00 0.00 C ATOM 717 O ARG A 45 -2.042 7.605 -13.787 1.00 0.00 O ATOM 718 CB ARG A 45 0.782 6.630 -12.655 1.00 0.00 C ATOM 719 CG ARG A 45 1.071 6.403 -14.149 1.00 0.00 C ATOM 720 CD ARG A 45 2.294 5.505 -14.392 1.00 0.00 C ATOM 721 NE ARG A 45 2.592 5.513 -15.859 1.00 0.00 N ATOM 722 CZ ARG A 45 3.215 6.502 -16.511 1.00 0.00 C ATOM 723 NH1 ARG A 45 3.648 7.599 -15.912 1.00 0.00 N ATOM 724 NH2 ARG A 45 3.405 6.357 -17.814 1.00 0.00 N ATOM 0 H ARG A 45 0.549 7.628 -10.410 1.00 0.00 H new ATOM 0 HA ARG A 45 0.175 8.662 -13.072 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.727 6.738 -12.123 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.288 5.746 -12.251 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.197 5.952 -14.619 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.232 7.366 -14.633 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.152 5.869 -13.827 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.095 4.490 -14.049 1.00 0.00 H new ATOM 0 HE ARG A 45 2.298 4.702 -16.404 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.512 7.719 -14.908 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.117 8.325 -16.454 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.080 5.513 -18.286 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.876 7.089 -18.345 1.00 0.00 H new ATOM 738 N ALA A 46 -2.389 7.449 -11.584 1.00 0.00 N ATOM 739 CA ALA A 46 -3.834 7.523 -11.662 1.00 0.00 C ATOM 740 C ALA A 46 -4.343 8.969 -11.694 1.00 0.00 C ATOM 741 O ALA A 46 -5.263 9.315 -12.437 1.00 0.00 O ATOM 742 CB ALA A 46 -4.424 6.791 -10.446 1.00 0.00 C ATOM 0 H ALA A 46 -2.041 7.256 -10.645 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.152 7.053 -12.593 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.512 6.836 -10.487 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.103 5.749 -10.457 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.076 7.268 -9.530 1.00 0.00 H new ATOM 748 N GLY A 47 -3.750 9.849 -10.867 1.00 0.00 N ATOM 749 CA GLY A 47 -4.138 11.242 -10.676 1.00 0.00 C ATOM 750 C GLY A 47 -5.199 11.376 -9.620 1.00 0.00 C ATOM 751 O GLY A 47 -6.084 12.226 -9.706 1.00 0.00 O ATOM 0 H GLY A 47 -2.950 9.587 -10.290 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.264 11.829 -10.393 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.505 11.651 -11.617 1.00 0.00 H new ATOM 755 N LEU A 48 -5.154 10.515 -8.589 1.00 0.00 N ATOM 756 CA LEU A 48 -6.186 10.442 -7.570 1.00 0.00 C ATOM 757 C LEU A 48 -5.756 11.041 -6.246 1.00 0.00 C ATOM 758 O LEU A 48 -4.583 11.073 -5.874 1.00 0.00 O ATOM 759 CB LEU A 48 -6.757 9.006 -7.405 1.00 0.00 C ATOM 760 CG LEU A 48 -5.811 7.908 -6.873 1.00 0.00 C ATOM 761 CD1 LEU A 48 -5.669 7.906 -5.342 1.00 0.00 C ATOM 762 CD2 LEU A 48 -6.337 6.533 -7.304 1.00 0.00 C ATOM 0 H LEU A 48 -4.392 9.852 -8.449 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.003 11.066 -7.932 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.614 9.062 -6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.133 8.682 -8.376 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.828 8.120 -7.294 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.990 7.109 -5.041 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.271 8.866 -5.012 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.646 7.742 -4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.671 5.755 -6.930 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.337 6.382 -6.897 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.377 6.484 -8.392 1.00 0.00 H new ATOM 774 N SER A 49 -6.737 11.540 -5.478 1.00 0.00 N ATOM 775 CA SER A 49 -6.516 12.087 -4.151 1.00 0.00 C ATOM 776 C SER A 49 -6.365 10.999 -3.114 1.00 0.00 C ATOM 777 O SER A 49 -7.225 10.134 -2.982 1.00 0.00 O ATOM 778 CB SER A 49 -7.713 12.938 -3.664 1.00 0.00 C ATOM 779 OG SER A 49 -7.880 14.087 -4.488 1.00 0.00 O ATOM 0 H SER A 49 -7.713 11.571 -5.774 1.00 0.00 H new ATOM 0 HA SER A 49 -5.611 12.687 -4.247 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.623 12.338 -3.679 1.00 0.00 H new ATOM 0 HB3 SER A 49 -7.551 13.245 -2.631 1.00 0.00 H new ATOM 0 HG SER A 49 -8.642 14.612 -4.166 1.00 0.00 H new ATOM 785 N MET A 50 -5.299 11.043 -2.293 1.00 0.00 N ATOM 786 CA MET A 50 -5.109 10.126 -1.177 1.00 0.00 C ATOM 787 C MET A 50 -6.244 10.205 -0.151 1.00 0.00 C ATOM 788 O MET A 50 -6.675 9.209 0.420 1.00 0.00 O ATOM 789 CB MET A 50 -3.747 10.408 -0.501 1.00 0.00 C ATOM 790 CG MET A 50 -3.258 9.349 0.513 1.00 0.00 C ATOM 791 SD MET A 50 -2.429 7.897 -0.216 1.00 0.00 S ATOM 792 CE MET A 50 -3.871 6.807 -0.386 1.00 0.00 C ATOM 0 H MET A 50 -4.546 11.724 -2.395 1.00 0.00 H new ATOM 0 HA MET A 50 -5.120 9.112 -1.577 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.992 10.511 -1.280 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.810 11.369 0.010 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.570 9.828 1.210 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.113 9.005 1.095 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.742 5.931 0.250 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.771 7.344 -0.086 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.967 6.490 -1.424 1.00 0.00 H new ATOM 802 N GLN A 51 -6.808 11.419 0.028 1.00 0.00 N ATOM 803 CA GLN A 51 -7.981 11.734 0.826 1.00 0.00 C ATOM 804 C GLN A 51 -9.184 10.795 0.689 1.00 0.00 C ATOM 805 O GLN A 51 -9.847 10.477 1.673 1.00 0.00 O ATOM 806 CB GLN A 51 -8.474 13.162 0.467 1.00 0.00 C ATOM 807 CG GLN A 51 -7.450 14.296 0.721 1.00 0.00 C ATOM 808 CD GLN A 51 -7.094 14.409 2.199 1.00 0.00 C ATOM 809 OE1 GLN A 51 -5.942 14.218 2.598 1.00 0.00 O ATOM 810 NE2 GLN A 51 -8.101 14.719 3.039 1.00 0.00 N ATOM 0 H GLN A 51 -6.419 12.251 -0.417 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.632 11.628 1.853 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -8.756 13.178 -0.586 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -9.376 13.373 1.042 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.546 14.107 0.142 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -7.861 15.243 0.372 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -9.041 14.870 2.674 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -7.923 14.802 4.040 1.00 0.00 H new ATOM 819 N VAL A 52 -9.502 10.327 -0.536 1.00 0.00 N ATOM 820 CA VAL A 52 -10.673 9.492 -0.772 1.00 0.00 C ATOM 821 C VAL A 52 -10.366 7.997 -0.693 1.00 0.00 C ATOM 822 O VAL A 52 -11.229 7.162 -0.978 1.00 0.00 O ATOM 823 CB VAL A 52 -11.380 9.818 -2.093 1.00 0.00 C ATOM 824 CG1 VAL A 52 -11.886 11.273 -2.046 1.00 0.00 C ATOM 825 CG2 VAL A 52 -10.478 9.591 -3.321 1.00 0.00 C ATOM 0 H VAL A 52 -8.954 10.521 -1.374 1.00 0.00 H new ATOM 0 HA VAL A 52 -11.356 9.734 0.042 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.221 9.134 -2.204 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.390 11.513 -2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.585 11.389 -1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.041 11.948 -1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -11.030 9.837 -4.228 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -9.597 10.228 -3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -10.168 8.546 -3.357 1.00 0.00 H new ATOM 835 N VAL A 53 -9.126 7.621 -0.306 1.00 0.00 N ATOM 836 CA VAL A 53 -8.675 6.237 -0.242 1.00 0.00 C ATOM 837 C VAL A 53 -8.054 5.952 1.125 1.00 0.00 C ATOM 838 O VAL A 53 -6.847 6.084 1.323 1.00 0.00 O ATOM 839 CB VAL A 53 -7.646 5.923 -1.334 1.00 0.00 C ATOM 840 CG1 VAL A 53 -7.355 4.412 -1.372 1.00 0.00 C ATOM 841 CG2 VAL A 53 -8.164 6.374 -2.712 1.00 0.00 C ATOM 0 H VAL A 53 -8.409 8.291 -0.028 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.547 5.603 -0.399 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.729 6.465 -1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.623 4.202 -2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -6.960 4.093 -0.408 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.276 3.869 -1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.420 6.143 -3.474 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.092 5.851 -2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.347 7.448 -2.698 1.00 0.00 H new ATOM 851 N ARG A 54 -8.847 5.528 2.133 1.00 0.00 N ATOM 852 CA ARG A 54 -8.282 5.165 3.428 1.00 0.00 C ATOM 853 C ARG A 54 -7.971 3.672 3.486 1.00 0.00 C ATOM 854 O ARG A 54 -8.509 2.868 2.729 1.00 0.00 O ATOM 855 CB ARG A 54 -9.159 5.585 4.634 1.00 0.00 C ATOM 856 CG ARG A 54 -9.401 7.111 4.720 1.00 0.00 C ATOM 857 CD ARG A 54 -9.579 7.649 6.152 1.00 0.00 C ATOM 858 NE ARG A 54 -8.206 7.685 6.769 1.00 0.00 N ATOM 859 CZ ARG A 54 -7.879 7.326 8.015 1.00 0.00 C ATOM 860 NH1 ARG A 54 -8.735 6.837 8.895 1.00 0.00 N ATOM 861 NH2 ARG A 54 -6.615 7.481 8.401 1.00 0.00 N ATOM 0 H ARG A 54 -9.860 5.433 2.067 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.355 5.732 3.516 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.121 5.076 4.569 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.682 5.248 5.555 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -8.561 7.626 4.253 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.289 7.359 4.139 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.025 8.643 6.140 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.246 7.007 6.727 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.447 8.018 6.175 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.715 6.713 8.639 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.416 6.583 9.830 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.927 7.864 7.753 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.334 7.217 9.345 1.00 0.00 H new ATOM 875 N PHE A 55 -7.055 3.261 4.387 1.00 0.00 N ATOM 876 CA PHE A 55 -6.575 1.893 4.417 1.00 0.00 C ATOM 877 C PHE A 55 -6.225 1.443 5.827 1.00 0.00 C ATOM 878 O PHE A 55 -5.916 2.245 6.704 1.00 0.00 O ATOM 879 CB PHE A 55 -5.370 1.683 3.445 1.00 0.00 C ATOM 880 CG PHE A 55 -4.250 2.677 3.633 1.00 0.00 C ATOM 881 CD1 PHE A 55 -4.243 3.889 2.917 1.00 0.00 C ATOM 882 CD2 PHE A 55 -3.183 2.399 4.504 1.00 0.00 C ATOM 883 CE1 PHE A 55 -3.200 4.809 3.080 1.00 0.00 C ATOM 884 CE2 PHE A 55 -2.135 3.316 4.665 1.00 0.00 C ATOM 885 CZ PHE A 55 -2.146 4.522 3.954 1.00 0.00 C ATOM 0 H PHE A 55 -6.643 3.867 5.096 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.395 1.265 4.069 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.976 0.676 3.584 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.730 1.746 2.418 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.050 4.112 2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.170 1.470 5.055 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.209 5.739 2.531 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.320 3.092 5.337 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.341 5.231 4.080 1.00 0.00 H new ATOM 895 N ARG A 56 -6.284 0.121 6.072 1.00 0.00 N ATOM 896 CA ARG A 56 -5.761 -0.518 7.266 1.00 0.00 C ATOM 897 C ARG A 56 -4.934 -1.701 6.789 1.00 0.00 C ATOM 898 O ARG A 56 -5.167 -2.234 5.711 1.00 0.00 O ATOM 899 CB ARG A 56 -6.847 -1.036 8.261 1.00 0.00 C ATOM 900 CG ARG A 56 -7.379 -0.005 9.283 1.00 0.00 C ATOM 901 CD ARG A 56 -8.407 1.011 8.782 1.00 0.00 C ATOM 902 NE ARG A 56 -9.680 0.281 8.474 1.00 0.00 N ATOM 903 CZ ARG A 56 -10.883 0.769 8.787 1.00 0.00 C ATOM 904 NH1 ARG A 56 -11.080 1.501 9.870 1.00 0.00 N ATOM 905 NH2 ARG A 56 -11.886 0.495 7.968 1.00 0.00 N ATOM 0 H ARG A 56 -6.710 -0.538 5.421 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.191 0.227 7.821 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.691 -1.413 7.683 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.434 -1.882 8.810 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.823 -0.552 10.115 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.527 0.545 9.682 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.582 1.778 9.537 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.036 1.519 7.892 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.625 -0.624 8.007 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.301 1.708 10.495 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.011 1.859 10.081 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.724 -0.070 7.134 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.821 0.849 8.171 1.00 0.00 H new ATOM 919 N PHE A 57 -3.946 -2.123 7.592 1.00 0.00 N ATOM 920 CA PHE A 57 -3.110 -3.282 7.366 1.00 0.00 C ATOM 921 C PHE A 57 -3.372 -4.234 8.522 1.00 0.00 C ATOM 922 O PHE A 57 -3.260 -3.844 9.683 1.00 0.00 O ATOM 923 CB PHE A 57 -1.621 -2.852 7.355 1.00 0.00 C ATOM 924 CG PHE A 57 -0.718 -3.971 6.919 1.00 0.00 C ATOM 925 CD1 PHE A 57 -0.416 -4.134 5.560 1.00 0.00 C ATOM 926 CD2 PHE A 57 -0.172 -4.867 7.852 1.00 0.00 C ATOM 927 CE1 PHE A 57 0.414 -5.178 5.135 1.00 0.00 C ATOM 928 CE2 PHE A 57 0.658 -5.915 7.432 1.00 0.00 C ATOM 929 CZ PHE A 57 0.953 -6.070 6.072 1.00 0.00 C ATOM 0 H PHE A 57 -3.707 -1.633 8.454 1.00 0.00 H new ATOM 0 HA PHE A 57 -3.331 -3.757 6.410 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.494 -2.001 6.686 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.332 -2.519 8.352 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.827 -3.448 4.834 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.394 -4.747 8.902 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.639 -5.296 4.085 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.070 -6.602 8.156 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.595 -6.875 5.746 1.00 0.00 H new ATOM 939 N ASP A 58 -3.775 -5.493 8.246 1.00 0.00 N ATOM 940 CA ASP A 58 -4.091 -6.484 9.270 1.00 0.00 C ATOM 941 C ASP A 58 -5.152 -6.029 10.308 1.00 0.00 C ATOM 942 O ASP A 58 -5.210 -6.508 11.441 1.00 0.00 O ATOM 943 CB ASP A 58 -2.745 -6.985 9.895 1.00 0.00 C ATOM 944 CG ASP A 58 -2.880 -8.201 10.777 1.00 0.00 C ATOM 945 OD1 ASP A 58 -3.460 -9.222 10.325 1.00 0.00 O ATOM 946 OD2 ASP A 58 -2.424 -8.164 11.952 1.00 0.00 O ATOM 0 H ASP A 58 -3.888 -5.843 7.294 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.597 -7.326 8.798 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.047 -7.212 9.089 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.306 -6.175 10.478 1.00 0.00 H new ATOM 951 N GLY A 59 -6.042 -5.084 9.939 1.00 0.00 N ATOM 952 CA GLY A 59 -7.034 -4.512 10.847 1.00 0.00 C ATOM 953 C GLY A 59 -6.682 -3.164 11.421 1.00 0.00 C ATOM 954 O GLY A 59 -7.569 -2.442 11.868 1.00 0.00 O ATOM 0 H GLY A 59 -6.085 -4.700 8.995 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.982 -4.426 10.315 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.193 -5.209 11.670 1.00 0.00 H new ATOM 958 N GLN A 60 -5.396 -2.765 11.443 1.00 0.00 N ATOM 959 CA GLN A 60 -4.939 -1.552 12.111 1.00 0.00 C ATOM 960 C GLN A 60 -4.296 -0.566 11.134 1.00 0.00 C ATOM 961 O GLN A 60 -3.916 -0.958 10.034 1.00 0.00 O ATOM 962 CB GLN A 60 -3.933 -1.926 13.230 1.00 0.00 C ATOM 963 CG GLN A 60 -4.627 -2.638 14.415 1.00 0.00 C ATOM 964 CD GLN A 60 -3.627 -3.070 15.484 1.00 0.00 C ATOM 965 OE1 GLN A 60 -3.410 -4.263 15.699 1.00 0.00 O ATOM 966 NE2 GLN A 60 -3.015 -2.092 16.180 1.00 0.00 N ATOM 0 H GLN A 60 -4.646 -3.287 10.991 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.810 -1.058 12.543 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.159 -2.574 12.820 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.437 -1.024 13.589 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -5.366 -1.970 14.858 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.166 -3.511 14.048 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.220 -1.114 15.974 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.347 -2.329 16.913 1.00 0.00 H new ATOM 975 N PRO A 61 -4.147 0.728 11.405 1.00 0.00 N ATOM 976 CA PRO A 61 -3.427 1.626 10.500 1.00 0.00 C ATOM 977 C PRO A 61 -1.919 1.404 10.551 1.00 0.00 C ATOM 978 O PRO A 61 -1.409 0.768 11.472 1.00 0.00 O ATOM 979 CB PRO A 61 -3.826 3.023 11.002 1.00 0.00 C ATOM 980 CG PRO A 61 -4.108 2.818 12.492 1.00 0.00 C ATOM 981 CD PRO A 61 -4.740 1.429 12.544 1.00 0.00 C ATOM 0 HA PRO A 61 -3.681 1.465 9.452 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.027 3.747 10.844 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.705 3.399 10.478 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.194 2.866 13.084 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.782 3.581 12.882 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -4.517 0.924 13.484 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.826 1.481 12.460 1.00 0.00 H new ATOM 989 N ILE A 62 -1.184 1.912 9.548 1.00 0.00 N ATOM 990 CA ILE A 62 0.223 1.610 9.344 1.00 0.00 C ATOM 991 C ILE A 62 0.921 2.867 8.828 1.00 0.00 C ATOM 992 O ILE A 62 0.277 3.746 8.250 1.00 0.00 O ATOM 993 CB ILE A 62 0.363 0.410 8.392 1.00 0.00 C ATOM 994 CG1 ILE A 62 1.800 -0.153 8.359 1.00 0.00 C ATOM 995 CG2 ILE A 62 -0.168 0.751 6.980 1.00 0.00 C ATOM 996 CD1 ILE A 62 1.929 -1.510 7.656 1.00 0.00 C ATOM 0 H ILE A 62 -1.566 2.552 8.852 1.00 0.00 H new ATOM 0 HA ILE A 62 0.704 1.323 10.279 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.262 -0.390 8.789 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.448 0.566 7.858 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.163 -0.251 9.382 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.056 -0.117 6.330 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.222 1.023 7.043 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.399 1.587 6.570 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.970 -1.833 7.677 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.310 -2.246 8.169 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.599 -1.417 6.621 1.00 0.00 H new ATOM 1008 N ASN A 63 2.248 3.015 9.037 1.00 0.00 N ATOM 1009 CA ASN A 63 3.033 4.082 8.444 1.00 0.00 C ATOM 1010 C ASN A 63 3.747 3.556 7.207 1.00 0.00 C ATOM 1011 O ASN A 63 3.978 2.364 7.039 1.00 0.00 O ATOM 1012 CB ASN A 63 4.102 4.613 9.448 1.00 0.00 C ATOM 1013 CG ASN A 63 3.668 5.927 10.077 1.00 0.00 C ATOM 1014 OD1 ASN A 63 3.467 6.042 11.287 1.00 0.00 O ATOM 1015 ND2 ASN A 63 3.560 6.993 9.255 1.00 0.00 N ATOM 0 H ASN A 63 2.793 2.386 9.627 1.00 0.00 H new ATOM 0 HA ASN A 63 2.358 4.896 8.180 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.269 3.872 10.229 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.052 4.751 8.931 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.310 7.906 9.634 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.729 6.885 8.255 1.00 0.00 H new ATOM 1022 N GLU A 64 4.188 4.450 6.306 1.00 0.00 N ATOM 1023 CA GLU A 64 4.927 4.075 5.109 1.00 0.00 C ATOM 1024 C GLU A 64 6.364 3.652 5.410 1.00 0.00 C ATOM 1025 O GLU A 64 7.061 3.050 4.589 1.00 0.00 O ATOM 1026 CB GLU A 64 4.952 5.261 4.122 1.00 0.00 C ATOM 1027 CG GLU A 64 5.609 6.555 4.672 1.00 0.00 C ATOM 1028 CD GLU A 64 4.640 7.498 5.351 1.00 0.00 C ATOM 1029 OE1 GLU A 64 4.219 7.240 6.512 1.00 0.00 O ATOM 1030 OE2 GLU A 64 4.301 8.532 4.721 1.00 0.00 O ATOM 0 H GLU A 64 4.037 5.455 6.396 1.00 0.00 H new ATOM 0 HA GLU A 64 4.413 3.218 4.675 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.485 4.955 3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.928 5.489 3.824 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.390 6.280 5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.096 7.080 3.850 1.00 0.00 H new ATOM 1037 N ASN A 65 6.816 3.975 6.638 1.00 0.00 N ATOM 1038 CA ASN A 65 8.100 3.621 7.204 1.00 0.00 C ATOM 1039 C ASN A 65 8.092 2.220 7.825 1.00 0.00 C ATOM 1040 O ASN A 65 9.140 1.693 8.194 1.00 0.00 O ATOM 1041 CB ASN A 65 8.529 4.666 8.274 1.00 0.00 C ATOM 1042 CG ASN A 65 8.618 6.054 7.648 1.00 0.00 C ATOM 1043 OD1 ASN A 65 9.160 6.233 6.545 1.00 0.00 O ATOM 1044 ND2 ASN A 65 8.099 7.085 8.342 1.00 0.00 N ATOM 0 H ASN A 65 6.249 4.522 7.286 1.00 0.00 H new ATOM 0 HA ASN A 65 8.820 3.619 6.385 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.811 4.674 9.094 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.494 4.388 8.698 1.00 0.00 H new ATOM 0 HD21 ASN A 65 8.148 8.031 7.963 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.657 6.920 9.247 1.00 0.00 H new ATOM 1051 N ASP A 66 6.921 1.558 7.938 1.00 0.00 N ATOM 1052 CA ASP A 66 6.829 0.165 8.342 1.00 0.00 C ATOM 1053 C ASP A 66 7.169 -0.750 7.156 1.00 0.00 C ATOM 1054 O ASP A 66 6.396 -0.883 6.208 1.00 0.00 O ATOM 1055 CB ASP A 66 5.406 -0.163 8.861 1.00 0.00 C ATOM 1056 CG ASP A 66 5.108 0.528 10.173 1.00 0.00 C ATOM 1057 OD1 ASP A 66 5.829 0.226 11.159 1.00 0.00 O ATOM 1058 OD2 ASP A 66 4.134 1.318 10.267 1.00 0.00 O ATOM 0 H ASP A 66 6.016 1.989 7.748 1.00 0.00 H new ATOM 0 HA ASP A 66 7.543 -0.005 9.148 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.670 0.140 8.116 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.306 -1.241 8.988 1.00 0.00 H new ATOM 1063 N THR A 67 8.369 -1.371 7.155 1.00 0.00 N ATOM 1064 CA THR A 67 8.898 -2.092 5.996 1.00 0.00 C ATOM 1065 C THR A 67 8.720 -3.604 6.105 1.00 0.00 C ATOM 1066 O THR A 67 8.748 -4.153 7.210 1.00 0.00 O ATOM 1067 CB THR A 67 10.389 -1.831 5.749 1.00 0.00 C ATOM 1068 OG1 THR A 67 11.190 -2.326 6.815 1.00 0.00 O ATOM 1069 CG2 THR A 67 10.646 -0.323 5.641 1.00 0.00 C ATOM 0 H THR A 67 8.992 -1.381 7.963 1.00 0.00 H new ATOM 0 HA THR A 67 8.312 -1.703 5.163 1.00 0.00 H new ATOM 0 HB THR A 67 10.655 -2.343 4.824 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.134 -2.145 6.626 1.00 0.00 H new ATOM 0 HG21 THR A 67 11.707 -0.146 5.466 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.068 0.086 4.812 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.345 0.165 6.568 1.00 0.00 H new ATOM 1077 N PRO A 68 8.597 -4.363 5.014 1.00 0.00 N ATOM 1078 CA PRO A 68 8.501 -5.820 5.085 1.00 0.00 C ATOM 1079 C PRO A 68 9.847 -6.478 5.364 1.00 0.00 C ATOM 1080 O PRO A 68 9.883 -7.685 5.594 1.00 0.00 O ATOM 1081 CB PRO A 68 7.947 -6.208 3.706 1.00 0.00 C ATOM 1082 CG PRO A 68 8.455 -5.103 2.781 1.00 0.00 C ATOM 1083 CD PRO A 68 8.344 -3.861 3.659 1.00 0.00 C ATOM 0 HA PRO A 68 7.868 -6.156 5.906 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.307 -7.188 3.392 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.858 -6.255 3.712 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.481 -5.282 2.460 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.849 -5.018 1.879 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.072 -3.102 3.372 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.358 -3.403 3.580 1.00 0.00 H new ATOM 1091 N THR A 69 10.970 -5.727 5.365 1.00 0.00 N ATOM 1092 CA THR A 69 12.274 -6.256 5.772 1.00 0.00 C ATOM 1093 C THR A 69 12.421 -6.231 7.286 1.00 0.00 C ATOM 1094 O THR A 69 12.886 -7.202 7.878 1.00 0.00 O ATOM 1095 CB THR A 69 13.482 -5.648 5.048 1.00 0.00 C ATOM 1096 OG1 THR A 69 14.652 -6.399 5.325 1.00 0.00 O ATOM 1097 CG2 THR A 69 13.762 -4.192 5.429 1.00 0.00 C ATOM 0 H THR A 69 10.990 -4.746 5.085 1.00 0.00 H new ATOM 0 HA THR A 69 12.282 -7.295 5.443 1.00 0.00 H new ATOM 0 HB THR A 69 13.227 -5.677 3.989 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.415 -6.001 4.856 1.00 0.00 H new ATOM 0 HG21 THR A 69 14.630 -3.832 4.877 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.895 -3.578 5.183 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.960 -4.128 6.499 1.00 0.00 H new ATOM 1105 N SER A 70 11.970 -5.154 7.973 1.00 0.00 N ATOM 1106 CA SER A 70 11.970 -5.090 9.435 1.00 0.00 C ATOM 1107 C SER A 70 10.849 -5.906 10.059 1.00 0.00 C ATOM 1108 O SER A 70 10.951 -6.387 11.184 1.00 0.00 O ATOM 1109 CB SER A 70 11.803 -3.652 9.991 1.00 0.00 C ATOM 1110 OG SER A 70 12.860 -2.784 9.576 1.00 0.00 O ATOM 0 H SER A 70 11.601 -4.316 7.523 1.00 0.00 H new ATOM 0 HA SER A 70 12.948 -5.491 9.701 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.849 -3.244 9.657 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.771 -3.687 11.080 1.00 0.00 H new ATOM 0 HG SER A 70 12.654 -2.417 8.691 1.00 0.00 H new ATOM 1116 N LEU A 71 9.718 -6.076 9.347 1.00 0.00 N ATOM 1117 CA LEU A 71 8.600 -6.903 9.781 1.00 0.00 C ATOM 1118 C LEU A 71 8.916 -8.400 9.750 1.00 0.00 C ATOM 1119 O LEU A 71 8.497 -9.166 10.618 1.00 0.00 O ATOM 1120 CB LEU A 71 7.395 -6.609 8.853 1.00 0.00 C ATOM 1121 CG LEU A 71 6.061 -7.310 9.183 1.00 0.00 C ATOM 1122 CD1 LEU A 71 5.517 -6.902 10.557 1.00 0.00 C ATOM 1123 CD2 LEU A 71 5.020 -6.986 8.100 1.00 0.00 C ATOM 0 H LEU A 71 9.564 -5.631 8.442 1.00 0.00 H new ATOM 0 HA LEU A 71 8.378 -6.653 10.819 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.221 -5.533 8.857 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.677 -6.882 7.836 1.00 0.00 H new ATOM 0 HG LEU A 71 6.254 -8.382 9.209 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.577 -7.421 10.745 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.239 -7.169 11.328 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.347 -5.825 10.576 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.080 -7.484 8.338 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.860 -5.909 8.060 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.381 -7.336 7.133 1.00 0.00 H new ATOM 1135 N GLU A 72 9.658 -8.839 8.711 1.00 0.00 N ATOM 1136 CA GLU A 72 10.043 -10.216 8.444 1.00 0.00 C ATOM 1137 C GLU A 72 8.913 -11.170 8.065 1.00 0.00 C ATOM 1138 O GLU A 72 9.090 -12.390 8.030 1.00 0.00 O ATOM 1139 CB GLU A 72 11.050 -10.817 9.463 1.00 0.00 C ATOM 1140 CG GLU A 72 12.425 -10.100 9.400 1.00 0.00 C ATOM 1141 CD GLU A 72 13.647 -10.972 9.642 1.00 0.00 C ATOM 1142 OE1 GLU A 72 13.543 -12.212 9.802 1.00 0.00 O ATOM 1143 OE2 GLU A 72 14.769 -10.395 9.620 1.00 0.00 O ATOM 0 H GLU A 72 10.018 -8.196 8.005 1.00 0.00 H new ATOM 0 HA GLU A 72 10.604 -10.114 7.515 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.642 -10.734 10.470 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.184 -11.879 9.260 1.00 0.00 H new ATOM 0 HG2 GLU A 72 12.525 -9.635 8.419 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.426 -9.296 10.136 1.00 0.00 H new ATOM 1150 N MET A 73 7.764 -10.616 7.628 1.00 0.00 N ATOM 1151 CA MET A 73 6.759 -11.308 6.831 1.00 0.00 C ATOM 1152 C MET A 73 7.372 -11.685 5.486 1.00 0.00 C ATOM 1153 O MET A 73 8.134 -10.899 4.922 1.00 0.00 O ATOM 1154 CB MET A 73 5.563 -10.351 6.584 1.00 0.00 C ATOM 1155 CG MET A 73 4.390 -10.915 5.751 1.00 0.00 C ATOM 1156 SD MET A 73 3.429 -12.218 6.574 1.00 0.00 S ATOM 1157 CE MET A 73 2.481 -11.104 7.650 1.00 0.00 C ATOM 0 H MET A 73 7.513 -9.648 7.831 1.00 0.00 H new ATOM 0 HA MET A 73 6.420 -12.202 7.354 1.00 0.00 H new ATOM 0 HB2 MET A 73 5.173 -10.035 7.552 1.00 0.00 H new ATOM 0 HB3 MET A 73 5.938 -9.458 6.084 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.719 -10.096 5.493 1.00 0.00 H new ATOM 0 HG3 MET A 73 4.785 -11.310 4.815 1.00 0.00 H new ATOM 0 HE1 MET A 73 2.619 -11.398 8.690 1.00 0.00 H new ATOM 0 HE2 MET A 73 2.831 -10.081 7.513 1.00 0.00 H new ATOM 0 HE3 MET A 73 1.423 -11.163 7.394 1.00 0.00 H new ATOM 1167 N GLU A 74 7.120 -12.894 4.941 1.00 0.00 N ATOM 1168 CA GLU A 74 7.742 -13.307 3.689 1.00 0.00 C ATOM 1169 C GLU A 74 7.091 -12.639 2.486 1.00 0.00 C ATOM 1170 O GLU A 74 7.704 -11.771 1.867 1.00 0.00 O ATOM 1171 CB GLU A 74 7.851 -14.833 3.489 1.00 0.00 C ATOM 1172 CG GLU A 74 8.726 -15.191 2.258 1.00 0.00 C ATOM 1173 CD GLU A 74 8.873 -16.681 2.047 1.00 0.00 C ATOM 1174 OE1 GLU A 74 7.842 -17.377 1.890 1.00 0.00 O ATOM 1175 OE2 GLU A 74 10.031 -17.175 2.001 1.00 0.00 O ATOM 0 H GLU A 74 6.495 -13.587 5.352 1.00 0.00 H new ATOM 0 HA GLU A 74 8.771 -12.957 3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.278 -15.287 4.383 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.854 -15.255 3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.286 -14.745 1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.714 -14.748 2.381 1.00 0.00 H new ATOM 1182 N GLU A 75 5.844 -13.017 2.161 1.00 0.00 N ATOM 1183 CA GLU A 75 4.954 -12.255 1.316 1.00 0.00 C ATOM 1184 C GLU A 75 3.543 -12.639 1.719 1.00 0.00 C ATOM 1185 O GLU A 75 3.337 -13.640 2.410 1.00 0.00 O ATOM 1186 CB GLU A 75 5.135 -12.481 -0.219 1.00 0.00 C ATOM 1187 CG GLU A 75 4.929 -13.937 -0.725 1.00 0.00 C ATOM 1188 CD GLU A 75 4.641 -14.008 -2.217 1.00 0.00 C ATOM 1189 OE1 GLU A 75 5.550 -13.812 -3.062 1.00 0.00 O ATOM 1190 OE2 GLU A 75 3.463 -14.290 -2.573 1.00 0.00 O ATOM 0 H GLU A 75 5.430 -13.887 2.496 1.00 0.00 H new ATOM 0 HA GLU A 75 5.180 -11.199 1.467 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.435 -11.832 -0.746 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.139 -12.160 -0.497 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.821 -14.523 -0.504 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.104 -14.393 -0.178 1.00 0.00 H new ATOM 1197 N GLY A 76 2.540 -11.855 1.285 1.00 0.00 N ATOM 1198 CA GLY A 76 1.120 -12.136 1.508 1.00 0.00 C ATOM 1199 C GLY A 76 0.487 -11.070 2.348 1.00 0.00 C ATOM 1200 O GLY A 76 -0.421 -11.321 3.138 1.00 0.00 O ATOM 0 H GLY A 76 2.702 -10.995 0.761 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.604 -12.203 0.550 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.010 -13.103 1.998 1.00 0.00 H new ATOM 1204 N ASP A 77 0.988 -9.839 2.189 1.00 0.00 N ATOM 1205 CA ASP A 77 0.776 -8.699 3.040 1.00 0.00 C ATOM 1206 C ASP A 77 -0.610 -8.066 2.845 1.00 0.00 C ATOM 1207 O ASP A 77 -0.954 -7.580 1.768 1.00 0.00 O ATOM 1208 CB ASP A 77 1.929 -7.688 2.753 1.00 0.00 C ATOM 1209 CG ASP A 77 3.291 -8.375 2.699 1.00 0.00 C ATOM 1210 OD1 ASP A 77 3.568 -9.049 1.667 1.00 0.00 O ATOM 1211 OD2 ASP A 77 4.064 -8.239 3.676 1.00 0.00 O ATOM 0 H ASP A 77 1.594 -9.615 1.400 1.00 0.00 H new ATOM 0 HA ASP A 77 0.794 -9.009 4.085 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.740 -7.182 1.806 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.940 -6.921 3.528 1.00 0.00 H new ATOM 1216 N THR A 78 -1.465 -8.099 3.885 1.00 0.00 N ATOM 1217 CA THR A 78 -2.896 -7.805 3.820 1.00 0.00 C ATOM 1218 C THR A 78 -3.263 -6.352 4.086 1.00 0.00 C ATOM 1219 O THR A 78 -3.321 -5.888 5.226 1.00 0.00 O ATOM 1220 CB THR A 78 -3.682 -8.666 4.809 1.00 0.00 C ATOM 1221 OG1 THR A 78 -2.980 -8.784 6.039 1.00 0.00 O ATOM 1222 CG2 THR A 78 -3.800 -10.086 4.242 1.00 0.00 C ATOM 0 H THR A 78 -1.158 -8.342 4.827 1.00 0.00 H new ATOM 0 HA THR A 78 -3.162 -8.032 2.788 1.00 0.00 H new ATOM 0 HB THR A 78 -4.655 -8.200 4.967 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.762 -7.891 6.378 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.359 -10.711 4.939 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.321 -10.054 3.285 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.804 -10.504 4.099 1.00 0.00 H new ATOM 1230 N ILE A 79 -3.577 -5.588 3.021 1.00 0.00 N ATOM 1231 CA ILE A 79 -4.009 -4.202 3.130 1.00 0.00 C ATOM 1232 C ILE A 79 -5.419 -4.021 2.578 1.00 0.00 C ATOM 1233 O ILE A 79 -5.734 -4.399 1.448 1.00 0.00 O ATOM 1234 CB ILE A 79 -2.990 -3.238 2.506 1.00 0.00 C ATOM 1235 CG1 ILE A 79 -3.333 -1.761 2.818 1.00 0.00 C ATOM 1236 CG2 ILE A 79 -2.795 -3.497 0.995 1.00 0.00 C ATOM 1237 CD1 ILE A 79 -2.196 -0.788 2.481 1.00 0.00 C ATOM 0 H ILE A 79 -3.534 -5.928 2.060 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.054 -3.944 4.188 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.027 -3.439 2.975 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.223 -1.476 2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.579 -1.668 3.876 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.066 -2.792 0.596 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.436 -4.515 0.844 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.746 -3.367 0.478 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.503 0.229 2.724 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.311 -1.048 3.061 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.965 -0.853 1.418 1.00 0.00 H new ATOM 1249 N GLU A 80 -6.343 -3.438 3.371 1.00 0.00 N ATOM 1250 CA GLU A 80 -7.693 -3.147 2.915 1.00 0.00 C ATOM 1251 C GLU A 80 -7.777 -1.757 2.309 1.00 0.00 C ATOM 1252 O GLU A 80 -7.082 -0.829 2.721 1.00 0.00 O ATOM 1253 CB GLU A 80 -8.771 -3.288 4.024 1.00 0.00 C ATOM 1254 CG GLU A 80 -8.656 -2.248 5.168 1.00 0.00 C ATOM 1255 CD GLU A 80 -9.816 -2.282 6.145 1.00 0.00 C ATOM 1256 OE1 GLU A 80 -10.053 -3.356 6.755 1.00 0.00 O ATOM 1257 OE2 GLU A 80 -10.459 -1.219 6.359 1.00 0.00 O ATOM 0 H GLU A 80 -6.163 -3.163 4.336 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.909 -3.900 2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.757 -3.200 3.568 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.706 -4.288 4.452 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.729 -2.423 5.713 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.588 -1.250 4.734 1.00 0.00 H new ATOM 1264 N VAL A 81 -8.638 -1.572 1.293 1.00 0.00 N ATOM 1265 CA VAL A 81 -8.871 -0.289 0.650 1.00 0.00 C ATOM 1266 C VAL A 81 -10.314 0.142 0.827 1.00 0.00 C ATOM 1267 O VAL A 81 -11.264 -0.460 0.315 1.00 0.00 O ATOM 1268 CB VAL A 81 -8.462 -0.296 -0.818 1.00 0.00 C ATOM 1269 CG1 VAL A 81 -8.865 1.014 -1.517 1.00 0.00 C ATOM 1270 CG2 VAL A 81 -6.933 -0.457 -0.876 1.00 0.00 C ATOM 0 H VAL A 81 -9.195 -2.329 0.897 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.234 0.445 1.143 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.967 -1.114 -1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.559 0.977 -2.563 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.946 1.140 -1.459 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.375 1.854 -1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.607 -0.466 -1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.460 0.375 -0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.647 -1.394 -0.398 1.00 0.00 H new ATOM 1280 N TYR A 82 -10.504 1.248 1.569 1.00 0.00 N ATOM 1281 CA TYR A 82 -11.782 1.854 1.855 1.00 0.00 C ATOM 1282 C TYR A 82 -12.003 3.022 0.898 1.00 0.00 C ATOM 1283 O TYR A 82 -11.461 4.114 1.073 1.00 0.00 O ATOM 1284 CB TYR A 82 -11.789 2.335 3.334 1.00 0.00 C ATOM 1285 CG TYR A 82 -13.001 1.855 4.070 1.00 0.00 C ATOM 1286 CD1 TYR A 82 -12.985 0.603 4.709 1.00 0.00 C ATOM 1287 CD2 TYR A 82 -14.141 2.664 4.174 1.00 0.00 C ATOM 1288 CE1 TYR A 82 -14.083 0.182 5.473 1.00 0.00 C ATOM 1289 CE2 TYR A 82 -15.242 2.242 4.934 1.00 0.00 C ATOM 1290 CZ TYR A 82 -15.206 1.006 5.593 1.00 0.00 C ATOM 1291 OH TYR A 82 -16.282 0.627 6.418 1.00 0.00 O ATOM 0 H TYR A 82 -9.727 1.752 1.996 1.00 0.00 H new ATOM 0 HA TYR A 82 -12.590 1.136 1.717 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -10.892 1.975 3.837 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -11.755 3.424 3.362 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -12.122 -0.039 4.611 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -14.172 3.617 3.667 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.061 -0.778 5.968 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -16.117 2.870 5.011 1.00 0.00 H new ATOM 0 HH TYR A 82 -16.978 1.316 6.385 1.00 0.00 H new ATOM 1301 N GLN A 83 -12.796 2.815 -0.175 1.00 0.00 N ATOM 1302 CA GLN A 83 -13.064 3.846 -1.162 1.00 0.00 C ATOM 1303 C GLN A 83 -14.202 4.765 -0.738 1.00 0.00 C ATOM 1304 O GLN A 83 -15.297 4.331 -0.383 1.00 0.00 O ATOM 1305 CB GLN A 83 -13.376 3.252 -2.564 1.00 0.00 C ATOM 1306 CG GLN A 83 -12.172 2.484 -3.172 1.00 0.00 C ATOM 1307 CD GLN A 83 -12.372 1.953 -4.601 1.00 0.00 C ATOM 1308 OE1 GLN A 83 -11.409 1.497 -5.224 1.00 0.00 O ATOM 1309 NE2 GLN A 83 -13.612 1.988 -5.128 1.00 0.00 N ATOM 0 H GLN A 83 -13.260 1.927 -0.368 1.00 0.00 H new ATOM 0 HA GLN A 83 -12.148 4.433 -1.229 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -14.229 2.578 -2.487 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -13.666 4.057 -3.239 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -11.304 3.144 -3.168 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.936 1.642 -2.521 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -14.386 2.372 -4.586 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -13.776 1.631 -6.069 1.00 0.00 H new ATOM 1318 N GLN A 84 -13.949 6.085 -0.768 1.00 0.00 N ATOM 1319 CA GLN A 84 -14.912 7.103 -0.405 1.00 0.00 C ATOM 1320 C GLN A 84 -15.702 7.607 -1.614 1.00 0.00 C ATOM 1321 O GLN A 84 -16.922 7.766 -1.569 1.00 0.00 O ATOM 1322 CB GLN A 84 -14.126 8.238 0.290 1.00 0.00 C ATOM 1323 CG GLN A 84 -14.958 9.250 1.102 1.00 0.00 C ATOM 1324 CD GLN A 84 -14.000 10.120 1.919 1.00 0.00 C ATOM 1325 OE1 GLN A 84 -13.438 9.684 2.926 1.00 0.00 O ATOM 1326 NE2 GLN A 84 -13.761 11.364 1.463 1.00 0.00 N ATOM 0 H GLN A 84 -13.047 6.467 -1.053 1.00 0.00 H new ATOM 0 HA GLN A 84 -15.662 6.691 0.270 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -13.392 7.786 0.957 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.571 8.785 -0.472 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -15.557 9.870 0.435 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -15.652 8.728 1.761 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -14.239 11.701 0.627 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.102 11.969 1.953 1.00 0.00 H new ATOM 1335 N GLN A 85 -15.025 7.843 -2.759 1.00 0.00 N ATOM 1336 CA GLN A 85 -15.658 8.339 -3.974 1.00 0.00 C ATOM 1337 C GLN A 85 -16.400 7.258 -4.765 1.00 0.00 C ATOM 1338 O GLN A 85 -15.816 6.280 -5.231 1.00 0.00 O ATOM 1339 CB GLN A 85 -14.626 9.022 -4.912 1.00 0.00 C ATOM 1340 CG GLN A 85 -15.272 9.711 -6.144 1.00 0.00 C ATOM 1341 CD GLN A 85 -14.234 10.342 -7.072 1.00 0.00 C ATOM 1342 OE1 GLN A 85 -13.212 9.742 -7.411 1.00 0.00 O ATOM 1343 NE2 GLN A 85 -14.508 11.577 -7.541 1.00 0.00 N ATOM 0 H GLN A 85 -14.021 7.690 -2.854 1.00 0.00 H new ATOM 0 HA GLN A 85 -16.394 9.066 -3.630 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -14.065 9.764 -4.343 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.910 8.276 -5.257 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -15.856 8.978 -6.702 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -15.966 10.480 -5.804 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -15.359 12.057 -7.248 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -13.864 12.031 -8.189 1.00 0.00 H new ATOM 1352 N THR A 86 -17.726 7.419 -4.954 1.00 0.00 N ATOM 1353 CA THR A 86 -18.543 6.475 -5.717 1.00 0.00 C ATOM 1354 C THR A 86 -18.477 6.721 -7.220 1.00 0.00 C ATOM 1355 O THR A 86 -19.329 7.374 -7.833 1.00 0.00 O ATOM 1356 CB THR A 86 -20.007 6.439 -5.288 1.00 0.00 C ATOM 1357 OG1 THR A 86 -20.097 6.297 -3.878 1.00 0.00 O ATOM 1358 CG2 THR A 86 -20.715 5.209 -5.878 1.00 0.00 C ATOM 0 H THR A 86 -18.252 8.208 -4.579 1.00 0.00 H new ATOM 0 HA THR A 86 -18.100 5.505 -5.490 1.00 0.00 H new ATOM 0 HB THR A 86 -20.467 7.365 -5.634 1.00 0.00 H new ATOM 0 HG1 THR A 86 -21.040 6.276 -3.611 1.00 0.00 H new ATOM 0 HG21 THR A 86 -21.758 5.202 -5.560 1.00 0.00 H new ATOM 0 HG22 THR A 86 -20.668 5.249 -6.966 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.223 4.302 -5.527 1.00 0.00 H new ATOM 1366 N GLY A 87 -17.433 6.184 -7.874 1.00 0.00 N ATOM 1367 CA GLY A 87 -17.293 6.230 -9.324 1.00 0.00 C ATOM 1368 C GLY A 87 -15.908 5.824 -9.750 1.00 0.00 C ATOM 1369 O GLY A 87 -14.919 6.288 -9.188 1.00 0.00 O ATOM 0 H GLY A 87 -16.665 5.706 -7.403 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -18.027 5.568 -9.784 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -17.505 7.238 -9.681 1.00 0.00 H new ATOM 1373 N GLY A 88 -15.792 4.951 -10.765 1.00 0.00 N ATOM 1374 CA GLY A 88 -14.502 4.470 -11.219 1.00 0.00 C ATOM 1375 C GLY A 88 -14.621 3.639 -12.502 1.00 0.00 C ATOM 1376 O GLY A 88 -15.734 3.536 -13.077 1.00 0.00 O ATOM 1377 OXT GLY A 88 -13.586 3.083 -12.965 1.00 0.00 O ATOM 0 H GLY A 88 -16.586 4.571 -11.280 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -13.840 5.318 -11.396 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -14.044 3.866 -10.436 1.00 0.00 H new TER 1381 GLY A 88