USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 810 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 LYS NZ :NH3+ 150:sc= 0.711 (180deg=0) USER MOD Set 1.2: A 87 SER OG : rot -163:sc= 0.7 USER MOD Set 2.1: A 64 MET CE :methyl 153:sc= -0.494 (180deg=-1.49!) USER MOD Set 2.2: A 78 ASN : amide:sc= -1.15 X(o=-1.6,f=-1.6) USER MOD Set 3.1: A 41 LYS NZ :NH3+ 169:sc= 2.76 (180deg=1.22) USER MOD Set 3.2: A 43 TYR OH : rot 180:sc= 0.0194 USER MOD Set 3.3: A 60 TYR OH : rot 24:sc= 1.44 USER MOD Set 4.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 33 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.0033) USER MOD Set 5.1: A 11 HIS : no HD1:sc= 0.576 K(o=1.2,f=-11!) USER MOD Set 5.2: A 44 CYS SG : rot 49:sc= 0.643 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 130:sc= 0 USER MOD Single : A 16 SER OG : rot -150:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 163:sc= -0.65 (180deg=-1.15) USER MOD Single : A 19 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0475) USER MOD Single : A 20 THR OG1 : rot 56:sc= 0.78 USER MOD Single : A 21 TYR OH : rot 16:sc= 1.43 USER MOD Single : A 22 SER OG : rot 123:sc= 0.55 USER MOD Single : A 32 HIS : no HD1:sc= -0.0447 X(o=-0.045,f=-0.0025) USER MOD Single : A 34 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0497) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= 0.0833 USER MOD Single : A 37 MET CE :methyl -109:sc= -0.441 (180deg=-3.36!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN :FLIP amide:sc= -0.0484 F(o=-1.3!,f=-0.048) USER MOD Single : A 50 HIS : no HD1:sc= -0.0817 X(o=-0.082,f=-0.082) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 151:sc= 0.508 USER MOD Single : A 69 CYS SG : rot -49:sc= -0.146 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.334 F(o=-2.1,f=-0.33) USER MOD Single : A 73 SER OG : rot 180:sc= 0.0125 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.117 K(o=-0.12,f=-0.98) USER MOD Single : A 80 SER OG : rot 88:sc= 1.2 USER MOD Single : A 81 THR OG1 : rot 28:sc= 1.18 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl -131:sc= -0.332 (180deg=-0.494) USER MOD Single : A 97 ASN :FLIP amide:sc= -0.244 F(o=-1.6!,f=-0.24) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N PHE A 7 13.896 -0.452 2.720 1.00 45.22 N ATOM 86 CA PHE A 7 13.495 -0.309 1.340 1.00 73.11 C ATOM 87 C PHE A 7 13.024 1.109 1.072 1.00 3.12 C ATOM 88 O PHE A 7 12.435 1.757 1.938 1.00 5.33 O ATOM 89 CB PHE A 7 12.393 -1.301 0.998 1.00 45.55 C ATOM 90 CG PHE A 7 12.754 -2.730 1.297 1.00 35.11 C ATOM 91 CD1 PHE A 7 12.631 -3.237 2.580 1.00 12.15 C ATOM 92 CD2 PHE A 7 13.224 -3.564 0.293 1.00 21.21 C ATOM 93 CE1 PHE A 7 12.969 -4.547 2.856 1.00 5.41 C ATOM 94 CE2 PHE A 7 13.561 -4.874 0.564 1.00 53.11 C ATOM 95 CZ PHE A 7 13.436 -5.367 1.847 1.00 65.05 C ATOM 0 HA PHE A 7 14.358 -0.518 0.708 1.00 73.11 H new ATOM 0 HB2 PHE A 7 11.494 -1.038 1.555 1.00 45.55 H new ATOM 0 HB3 PHE A 7 12.150 -1.210 -0.061 1.00 45.55 H new ATOM 0 HD1 PHE A 7 12.267 -2.601 3.373 1.00 12.15 H new ATOM 0 HD2 PHE A 7 13.327 -3.183 -0.712 1.00 21.21 H new ATOM 0 HE1 PHE A 7 12.868 -4.931 3.861 1.00 5.41 H new ATOM 0 HE2 PHE A 7 13.923 -5.514 -0.228 1.00 53.11 H new ATOM 0 HZ PHE A 7 13.703 -6.391 2.062 1.00 65.05 H new ATOM 105 N LYS A 8 13.302 1.584 -0.122 1.00 11.32 N ATOM 106 CA LYS A 8 12.964 2.938 -0.506 1.00 50.11 C ATOM 107 C LYS A 8 11.663 2.982 -1.289 1.00 33.32 C ATOM 108 O LYS A 8 11.009 4.017 -1.375 1.00 1.24 O ATOM 109 CB LYS A 8 14.087 3.520 -1.353 1.00 54.33 C ATOM 110 CG LYS A 8 14.294 2.818 -2.684 1.00 65.00 C ATOM 111 CD LYS A 8 15.476 3.399 -3.443 1.00 22.54 C ATOM 112 CE LYS A 8 15.600 2.794 -4.832 1.00 33.11 C ATOM 113 NZ LYS A 8 16.796 3.304 -5.555 1.00 64.12 N ATOM 0 H LYS A 8 13.767 1.045 -0.852 1.00 11.32 H new ATOM 0 HA LYS A 8 12.835 3.528 0.402 1.00 50.11 H new ATOM 0 HB2 LYS A 8 13.877 4.573 -1.540 1.00 54.33 H new ATOM 0 HB3 LYS A 8 15.016 3.476 -0.784 1.00 54.33 H new ATOM 0 HG2 LYS A 8 14.457 1.754 -2.514 1.00 65.00 H new ATOM 0 HG3 LYS A 8 13.392 2.909 -3.289 1.00 65.00 H new ATOM 0 HD2 LYS A 8 15.361 4.480 -3.525 1.00 22.54 H new ATOM 0 HD3 LYS A 8 16.393 3.218 -2.883 1.00 22.54 H new ATOM 0 HE2 LYS A 8 15.660 1.709 -4.751 1.00 33.11 H new ATOM 0 HE3 LYS A 8 14.703 3.021 -5.408 1.00 33.11 H new ATOM 0 HZ1 LYS A 8 16.844 2.867 -6.498 1.00 64.12 H new ATOM 0 HZ2 LYS A 8 16.727 4.337 -5.655 1.00 64.12 H new ATOM 0 HZ3 LYS A 8 17.654 3.065 -5.018 1.00 64.12 H new ATOM 127 N SER A 9 11.297 1.854 -1.859 1.00 25.30 N ATOM 128 CA SER A 9 10.143 1.806 -2.740 1.00 53.41 C ATOM 129 C SER A 9 8.926 1.236 -2.023 1.00 23.04 C ATOM 130 O SER A 9 9.044 0.307 -1.227 1.00 35.14 O ATOM 131 CB SER A 9 10.465 0.988 -3.988 1.00 44.11 C ATOM 132 OG SER A 9 11.638 1.474 -4.619 1.00 13.41 O ATOM 0 H SER A 9 11.776 0.962 -1.732 1.00 25.30 H new ATOM 0 HA SER A 9 9.903 2.826 -3.042 1.00 53.41 H new ATOM 0 HB2 SER A 9 10.599 -0.059 -3.717 1.00 44.11 H new ATOM 0 HB3 SER A 9 9.627 1.032 -4.684 1.00 44.11 H new ATOM 0 HG SER A 9 12.250 0.728 -4.792 1.00 13.41 H new ATOM 138 N PHE A 10 7.759 1.799 -2.323 1.00 31.31 N ATOM 139 CA PHE A 10 6.514 1.403 -1.674 1.00 71.20 C ATOM 140 C PHE A 10 6.215 -0.085 -1.874 1.00 0.34 C ATOM 141 O PHE A 10 5.881 -0.786 -0.923 1.00 44.35 O ATOM 142 CB PHE A 10 5.346 2.263 -2.189 1.00 21.04 C ATOM 143 CG PHE A 10 5.081 2.138 -3.667 1.00 44.03 C ATOM 144 CD1 PHE A 10 5.880 2.794 -4.590 1.00 25.31 C ATOM 145 CD2 PHE A 10 4.033 1.356 -4.129 1.00 1.24 C ATOM 146 CE1 PHE A 10 5.639 2.673 -5.944 1.00 5.44 C ATOM 147 CE2 PHE A 10 3.790 1.231 -5.482 1.00 75.34 C ATOM 148 CZ PHE A 10 4.593 1.889 -6.391 1.00 23.00 C ATOM 0 H PHE A 10 7.650 2.538 -3.018 1.00 31.31 H new ATOM 0 HA PHE A 10 6.632 1.570 -0.603 1.00 71.20 H new ATOM 0 HB2 PHE A 10 4.442 1.987 -1.646 1.00 21.04 H new ATOM 0 HB3 PHE A 10 5.551 3.308 -1.957 1.00 21.04 H new ATOM 0 HD1 PHE A 10 6.700 3.407 -4.246 1.00 25.31 H new ATOM 0 HD2 PHE A 10 3.400 0.839 -3.423 1.00 1.24 H new ATOM 0 HE1 PHE A 10 6.268 3.191 -6.653 1.00 5.44 H new ATOM 0 HE2 PHE A 10 2.971 0.618 -5.829 1.00 75.34 H new ATOM 0 HZ PHE A 10 4.404 1.791 -7.450 1.00 23.00 H new ATOM 158 N HIS A 11 6.365 -0.571 -3.105 1.00 10.52 N ATOM 159 CA HIS A 11 6.056 -1.967 -3.410 1.00 70.23 C ATOM 160 C HIS A 11 7.057 -2.905 -2.738 1.00 24.24 C ATOM 161 O HIS A 11 6.780 -4.085 -2.542 1.00 4.54 O ATOM 162 CB HIS A 11 5.994 -2.214 -4.933 1.00 40.15 C ATOM 163 CG HIS A 11 7.284 -2.015 -5.687 1.00 62.54 C ATOM 164 ND1 HIS A 11 7.877 -3.010 -6.435 1.00 34.02 N ATOM 165 CD2 HIS A 11 8.071 -0.922 -5.837 1.00 30.22 C ATOM 166 CE1 HIS A 11 8.968 -2.537 -7.009 1.00 33.44 C ATOM 167 NE2 HIS A 11 9.107 -1.275 -6.663 1.00 51.41 N ATOM 0 H HIS A 11 6.695 -0.025 -3.901 1.00 10.52 H new ATOM 0 HA HIS A 11 5.067 -2.183 -3.006 1.00 70.23 H new ATOM 0 HB2 HIS A 11 5.651 -3.235 -5.102 1.00 40.15 H new ATOM 0 HB3 HIS A 11 5.241 -1.550 -5.358 1.00 40.15 H new ATOM 0 HD2 HIS A 11 7.912 0.048 -5.389 1.00 30.22 H new ATOM 0 HE1 HIS A 11 9.634 -3.092 -7.653 1.00 33.44 H new ATOM 0 HE2 HIS A 11 9.863 -0.659 -6.961 1.00 51.41 H new ATOM 176 N ASP A 12 8.219 -2.367 -2.404 1.00 35.11 N ATOM 177 CA ASP A 12 9.241 -3.102 -1.673 1.00 42.24 C ATOM 178 C ASP A 12 8.947 -3.102 -0.179 1.00 11.50 C ATOM 179 O ASP A 12 8.944 -4.150 0.469 1.00 12.43 O ATOM 180 CB ASP A 12 10.612 -2.484 -1.949 1.00 24.12 C ATOM 181 CG ASP A 12 11.077 -2.745 -3.362 1.00 14.23 C ATOM 182 OD1 ASP A 12 10.583 -2.066 -4.281 1.00 2.33 O ATOM 183 OD2 ASP A 12 11.937 -3.628 -3.562 1.00 51.42 O ATOM 0 H ASP A 12 8.481 -1.408 -2.632 1.00 35.11 H new ATOM 0 HA ASP A 12 9.239 -4.138 -2.013 1.00 42.24 H new ATOM 0 HB2 ASP A 12 10.566 -1.409 -1.775 1.00 24.12 H new ATOM 0 HB3 ASP A 12 11.340 -2.890 -1.247 1.00 24.12 H new ATOM 188 N PHE A 13 8.686 -1.914 0.356 1.00 51.12 N ATOM 189 CA PHE A 13 8.429 -1.743 1.780 1.00 2.13 C ATOM 190 C PHE A 13 7.213 -2.564 2.210 1.00 55.25 C ATOM 191 O PHE A 13 7.262 -3.282 3.211 1.00 25.33 O ATOM 192 CB PHE A 13 8.205 -0.260 2.099 1.00 51.21 C ATOM 193 CG PHE A 13 8.386 0.098 3.550 1.00 62.43 C ATOM 194 CD1 PHE A 13 7.448 -0.272 4.501 1.00 33.11 C ATOM 195 CD2 PHE A 13 9.495 0.820 3.959 1.00 41.41 C ATOM 196 CE1 PHE A 13 7.614 0.068 5.831 1.00 35.03 C ATOM 197 CE2 PHE A 13 9.667 1.163 5.286 1.00 62.44 C ATOM 198 CZ PHE A 13 8.725 0.787 6.223 1.00 73.20 C ATOM 0 H PHE A 13 8.647 -1.048 -0.182 1.00 51.12 H new ATOM 0 HA PHE A 13 9.298 -2.098 2.334 1.00 2.13 H new ATOM 0 HB2 PHE A 13 8.895 0.336 1.501 1.00 51.21 H new ATOM 0 HB3 PHE A 13 7.196 0.017 1.792 1.00 51.21 H new ATOM 0 HD1 PHE A 13 6.576 -0.833 4.199 1.00 33.11 H new ATOM 0 HD2 PHE A 13 10.235 1.119 3.231 1.00 41.41 H new ATOM 0 HE1 PHE A 13 6.876 -0.228 6.562 1.00 35.03 H new ATOM 0 HE2 PHE A 13 10.538 1.725 5.590 1.00 62.44 H new ATOM 0 HZ PHE A 13 8.857 1.055 7.261 1.00 73.20 H new ATOM 208 N VAL A 14 6.132 -2.465 1.438 1.00 13.23 N ATOM 209 CA VAL A 14 4.904 -3.198 1.734 1.00 70.22 C ATOM 210 C VAL A 14 5.155 -4.701 1.750 1.00 40.22 C ATOM 211 O VAL A 14 4.659 -5.403 2.625 1.00 64.03 O ATOM 212 CB VAL A 14 3.780 -2.867 0.721 1.00 5.55 C ATOM 213 CG1 VAL A 14 2.552 -3.736 0.958 1.00 1.03 C ATOM 214 CG2 VAL A 14 3.400 -1.398 0.803 1.00 33.10 C ATOM 0 H VAL A 14 6.083 -1.883 0.602 1.00 13.23 H new ATOM 0 HA VAL A 14 4.576 -2.881 2.724 1.00 70.22 H new ATOM 0 HB VAL A 14 4.162 -3.078 -0.278 1.00 5.55 H new ATOM 0 HG11 VAL A 14 1.780 -3.481 0.232 1.00 1.03 H new ATOM 0 HG12 VAL A 14 2.822 -4.786 0.846 1.00 1.03 H new ATOM 0 HG13 VAL A 14 2.173 -3.564 1.966 1.00 1.03 H new ATOM 0 HG21 VAL A 14 2.609 -1.186 0.084 1.00 33.10 H new ATOM 0 HG22 VAL A 14 3.047 -1.169 1.808 1.00 33.10 H new ATOM 0 HG23 VAL A 14 4.271 -0.784 0.576 1.00 33.10 H new ATOM 224 N ALA A 15 5.960 -5.184 0.806 1.00 11.02 N ATOM 225 CA ALA A 15 6.244 -6.612 0.710 1.00 64.44 C ATOM 226 C ALA A 15 6.991 -7.103 1.949 1.00 30.14 C ATOM 227 O ALA A 15 6.729 -8.196 2.456 1.00 72.34 O ATOM 228 CB ALA A 15 7.045 -6.911 -0.550 1.00 4.31 C ATOM 0 H ALA A 15 6.424 -4.611 0.101 1.00 11.02 H new ATOM 0 HA ALA A 15 5.295 -7.145 0.653 1.00 64.44 H new ATOM 0 HB1 ALA A 15 7.249 -7.980 -0.607 1.00 4.31 H new ATOM 0 HB2 ALA A 15 6.474 -6.604 -1.426 1.00 4.31 H new ATOM 0 HB3 ALA A 15 7.987 -6.363 -0.521 1.00 4.31 H new ATOM 234 N SER A 16 7.901 -6.278 2.444 1.00 30.12 N ATOM 235 CA SER A 16 8.703 -6.634 3.601 1.00 73.21 C ATOM 236 C SER A 16 7.875 -6.553 4.883 1.00 30.21 C ATOM 237 O SER A 16 7.951 -7.433 5.745 1.00 54.01 O ATOM 238 CB SER A 16 9.922 -5.717 3.693 1.00 35.02 C ATOM 239 OG SER A 16 10.810 -6.143 4.710 1.00 62.11 O ATOM 0 H SER A 16 8.102 -5.355 2.060 1.00 30.12 H new ATOM 0 HA SER A 16 9.043 -7.663 3.484 1.00 73.21 H new ATOM 0 HB2 SER A 16 10.442 -5.703 2.735 1.00 35.02 H new ATOM 0 HB3 SER A 16 9.598 -4.696 3.895 1.00 35.02 H new ATOM 0 HG SER A 16 11.283 -5.367 5.077 1.00 62.11 H new ATOM 245 N TYR A 17 7.073 -5.502 5.002 1.00 21.44 N ATOM 246 CA TYR A 17 6.241 -5.313 6.183 1.00 10.02 C ATOM 247 C TYR A 17 5.145 -6.374 6.223 1.00 50.20 C ATOM 248 O TYR A 17 4.762 -6.850 7.291 1.00 2.21 O ATOM 249 CB TYR A 17 5.628 -3.911 6.191 1.00 54.11 C ATOM 250 CG TYR A 17 5.074 -3.500 7.538 1.00 4.02 C ATOM 251 CD1 TYR A 17 3.782 -3.838 7.920 1.00 71.43 C ATOM 252 CD2 TYR A 17 5.849 -2.767 8.428 1.00 75.41 C ATOM 253 CE1 TYR A 17 3.280 -3.460 9.151 1.00 32.22 C ATOM 254 CE2 TYR A 17 5.353 -2.386 9.660 1.00 24.42 C ATOM 255 CZ TYR A 17 4.069 -2.733 10.013 1.00 71.12 C ATOM 256 OH TYR A 17 3.570 -2.355 11.237 1.00 51.13 O ATOM 0 H TYR A 17 6.981 -4.770 4.298 1.00 21.44 H new ATOM 0 HA TYR A 17 6.865 -5.417 7.071 1.00 10.02 H new ATOM 0 HB2 TYR A 17 6.386 -3.190 5.884 1.00 54.11 H new ATOM 0 HB3 TYR A 17 4.829 -3.868 5.451 1.00 54.11 H new ATOM 0 HD1 TYR A 17 3.160 -4.405 7.244 1.00 71.43 H new ATOM 0 HD2 TYR A 17 6.856 -2.490 8.152 1.00 75.41 H new ATOM 0 HE1 TYR A 17 2.274 -3.734 9.435 1.00 32.22 H new ATOM 0 HE2 TYR A 17 5.969 -1.819 10.342 1.00 24.42 H new ATOM 0 HH TYR A 17 4.252 -1.849 11.726 1.00 51.13 H new ATOM 266 N MET A 18 4.660 -6.750 5.044 1.00 51.33 N ATOM 267 CA MET A 18 3.659 -7.802 4.915 1.00 14.53 C ATOM 268 C MET A 18 4.234 -9.128 5.400 1.00 13.15 C ATOM 269 O MET A 18 3.536 -9.934 6.009 1.00 52.32 O ATOM 270 CB MET A 18 3.218 -7.917 3.453 1.00 42.32 C ATOM 271 CG MET A 18 1.938 -8.706 3.237 1.00 0.13 C ATOM 272 SD MET A 18 0.482 -7.877 3.913 1.00 73.15 S ATOM 273 CE MET A 18 0.583 -6.265 3.125 1.00 34.22 C ATOM 0 H MET A 18 4.948 -6.337 4.157 1.00 51.33 H new ATOM 0 HA MET A 18 2.792 -7.553 5.527 1.00 14.53 H new ATOM 0 HB2 MET A 18 3.083 -6.914 3.048 1.00 42.32 H new ATOM 0 HB3 MET A 18 4.019 -8.386 2.882 1.00 42.32 H new ATOM 0 HG2 MET A 18 1.794 -8.870 2.169 1.00 0.13 H new ATOM 0 HG3 MET A 18 2.039 -9.688 3.700 1.00 0.13 H new ATOM 0 HE1 MET A 18 -0.381 -5.762 3.200 1.00 34.22 H new ATOM 0 HE2 MET A 18 1.345 -5.664 3.622 1.00 34.22 H new ATOM 0 HE3 MET A 18 0.846 -6.389 2.075 1.00 34.22 H new ATOM 283 N LYS A 19 5.518 -9.330 5.127 1.00 2.04 N ATOM 284 CA LYS A 19 6.239 -10.503 5.604 1.00 2.11 C ATOM 285 C LYS A 19 6.420 -10.424 7.121 1.00 31.31 C ATOM 286 O LYS A 19 6.428 -11.444 7.811 1.00 44.25 O ATOM 287 CB LYS A 19 7.598 -10.600 4.882 1.00 54.53 C ATOM 288 CG LYS A 19 8.412 -11.850 5.203 1.00 72.32 C ATOM 289 CD LYS A 19 9.220 -11.690 6.482 1.00 0.22 C ATOM 290 CE LYS A 19 9.989 -12.954 6.823 1.00 70.00 C ATOM 291 NZ LYS A 19 11.057 -13.250 5.830 1.00 64.44 N ATOM 0 H LYS A 19 6.085 -8.689 4.572 1.00 2.04 H new ATOM 0 HA LYS A 19 5.666 -11.403 5.382 1.00 2.11 H new ATOM 0 HB2 LYS A 19 7.424 -10.564 3.807 1.00 54.53 H new ATOM 0 HB3 LYS A 19 8.192 -9.723 5.138 1.00 54.53 H new ATOM 0 HG2 LYS A 19 7.742 -12.704 5.302 1.00 72.32 H new ATOM 0 HG3 LYS A 19 9.085 -12.067 4.374 1.00 72.32 H new ATOM 0 HD2 LYS A 19 9.917 -10.859 6.371 1.00 0.22 H new ATOM 0 HD3 LYS A 19 8.552 -11.437 7.305 1.00 0.22 H new ATOM 0 HE2 LYS A 19 10.434 -12.850 7.812 1.00 70.00 H new ATOM 0 HE3 LYS A 19 9.298 -13.795 6.872 1.00 70.00 H new ATOM 0 HZ1 LYS A 19 11.640 -14.040 6.173 1.00 64.44 H new ATOM 0 HZ2 LYS A 19 10.624 -13.509 4.921 1.00 64.44 H new ATOM 0 HZ3 LYS A 19 11.654 -12.408 5.702 1.00 64.44 H new ATOM 305 N THR A 20 6.536 -9.205 7.635 1.00 72.11 N ATOM 306 CA THR A 20 6.767 -8.986 9.055 1.00 61.12 C ATOM 307 C THR A 20 5.591 -9.492 9.898 1.00 73.43 C ATOM 308 O THR A 20 5.769 -10.348 10.766 1.00 42.43 O ATOM 309 CB THR A 20 7.020 -7.490 9.352 1.00 32.41 C ATOM 310 OG1 THR A 20 8.127 -7.012 8.568 1.00 24.51 O ATOM 311 CG2 THR A 20 7.315 -7.267 10.832 1.00 41.45 C ATOM 0 H THR A 20 6.473 -8.349 7.084 1.00 72.11 H new ATOM 0 HA THR A 20 7.656 -9.554 9.328 1.00 61.12 H new ATOM 0 HB THR A 20 6.118 -6.938 9.089 1.00 32.41 H new ATOM 0 HG1 THR A 20 7.952 -7.179 7.618 1.00 24.51 H new ATOM 0 HG21 THR A 20 7.489 -6.206 11.013 1.00 41.45 H new ATOM 0 HG22 THR A 20 6.465 -7.602 11.427 1.00 41.45 H new ATOM 0 HG23 THR A 20 8.202 -7.834 11.116 1.00 41.45 H new ATOM 319 N TYR A 21 4.387 -8.990 9.634 1.00 44.34 N ATOM 320 CA TYR A 21 3.231 -9.381 10.426 1.00 31.50 C ATOM 321 C TYR A 21 2.543 -10.610 9.834 1.00 72.12 C ATOM 322 O TYR A 21 1.498 -11.048 10.316 1.00 13.31 O ATOM 323 CB TYR A 21 2.255 -8.210 10.581 1.00 2.41 C ATOM 324 CG TYR A 21 1.333 -7.958 9.406 1.00 33.42 C ATOM 325 CD1 TYR A 21 1.772 -7.280 8.277 1.00 52.43 C ATOM 326 CD2 TYR A 21 0.007 -8.376 9.446 1.00 61.31 C ATOM 327 CE1 TYR A 21 0.918 -7.028 7.220 1.00 42.11 C ATOM 328 CE2 TYR A 21 -0.850 -8.131 8.393 1.00 64.23 C ATOM 329 CZ TYR A 21 -0.391 -7.458 7.284 1.00 72.50 C ATOM 330 OH TYR A 21 -1.246 -7.209 6.235 1.00 24.15 O ATOM 0 H TYR A 21 4.191 -8.322 8.889 1.00 44.34 H new ATOM 0 HA TYR A 21 3.582 -9.655 11.421 1.00 31.50 H new ATOM 0 HB2 TYR A 21 1.644 -8.386 11.466 1.00 2.41 H new ATOM 0 HB3 TYR A 21 2.831 -7.304 10.767 1.00 2.41 H new ATOM 0 HD1 TYR A 21 2.797 -6.944 8.224 1.00 52.43 H new ATOM 0 HD2 TYR A 21 -0.358 -8.901 10.316 1.00 61.31 H new ATOM 0 HE1 TYR A 21 1.274 -6.498 6.349 1.00 42.11 H new ATOM 0 HE2 TYR A 21 -1.876 -8.466 8.439 1.00 64.23 H new ATOM 0 HH TYR A 21 -0.727 -6.958 5.442 1.00 24.15 H new ATOM 340 N SER A 22 3.158 -11.177 8.802 1.00 51.32 N ATOM 341 CA SER A 22 2.708 -12.441 8.216 1.00 62.32 C ATOM 342 C SER A 22 2.749 -13.581 9.242 1.00 32.31 C ATOM 343 O SER A 22 2.226 -14.668 8.991 1.00 75.22 O ATOM 344 CB SER A 22 3.579 -12.799 7.008 1.00 54.13 C ATOM 345 OG SER A 22 3.205 -14.046 6.444 1.00 30.22 O ATOM 0 H SER A 22 3.979 -10.778 8.347 1.00 51.32 H new ATOM 0 HA SER A 22 1.674 -12.311 7.895 1.00 62.32 H new ATOM 0 HB2 SER A 22 3.493 -12.018 6.253 1.00 54.13 H new ATOM 0 HB3 SER A 22 4.625 -12.836 7.312 1.00 54.13 H new ATOM 0 HG SER A 22 2.981 -13.923 5.498 1.00 30.22 H new ATOM 351 N ARG A 23 3.367 -13.322 10.393 1.00 31.24 N ATOM 352 CA ARG A 23 3.481 -14.309 11.465 1.00 65.42 C ATOM 353 C ARG A 23 2.111 -14.846 11.895 1.00 24.30 C ATOM 354 O ARG A 23 2.005 -15.967 12.396 1.00 22.11 O ATOM 355 CB ARG A 23 4.206 -13.695 12.669 1.00 44.01 C ATOM 356 CG ARG A 23 5.654 -13.320 12.386 1.00 71.23 C ATOM 357 CD ARG A 23 6.321 -12.681 13.597 1.00 51.30 C ATOM 358 NE ARG A 23 5.692 -11.413 13.968 1.00 74.34 N ATOM 359 CZ ARG A 23 6.344 -10.384 14.515 1.00 61.25 C ATOM 360 NH1 ARG A 23 7.645 -10.464 14.766 1.00 24.30 N ATOM 361 NH2 ARG A 23 5.695 -9.266 14.809 1.00 32.54 N ATOM 0 H ARG A 23 3.802 -12.425 10.608 1.00 31.24 H new ATOM 0 HA ARG A 23 4.059 -15.149 11.080 1.00 65.42 H new ATOM 0 HB2 ARG A 23 3.666 -12.805 12.992 1.00 44.01 H new ATOM 0 HB3 ARG A 23 4.179 -14.402 13.498 1.00 44.01 H new ATOM 0 HG2 ARG A 23 6.209 -14.211 12.093 1.00 71.23 H new ATOM 0 HG3 ARG A 23 5.692 -12.629 11.544 1.00 71.23 H new ATOM 0 HD2 ARG A 23 6.274 -13.369 14.441 1.00 51.30 H new ATOM 0 HD3 ARG A 23 7.376 -12.512 13.382 1.00 51.30 H new ATOM 0 HE ARG A 23 4.692 -11.308 13.798 1.00 74.34 H new ATOM 0 HH11 ARG A 23 8.156 -11.317 14.541 1.00 24.30 H new ATOM 0 HH12 ARG A 23 8.133 -9.672 15.184 1.00 24.30 H new ATOM 0 HH21 ARG A 23 4.696 -9.191 14.617 1.00 32.54 H new ATOM 0 HH22 ARG A 23 6.195 -8.481 15.227 1.00 32.54 H new ATOM 375 N ARG A 24 1.065 -14.055 11.689 1.00 61.22 N ATOM 376 CA ARG A 24 -0.280 -14.475 12.055 1.00 61.15 C ATOM 377 C ARG A 24 -1.181 -14.548 10.823 1.00 42.35 C ATOM 378 O ARG A 24 -2.404 -14.560 10.934 1.00 33.13 O ATOM 379 CB ARG A 24 -0.871 -13.522 13.098 1.00 23.53 C ATOM 380 CG ARG A 24 -1.053 -12.093 12.611 1.00 63.22 C ATOM 381 CD ARG A 24 -1.549 -11.196 13.735 1.00 15.12 C ATOM 382 NE ARG A 24 -1.836 -9.834 13.281 1.00 4.41 N ATOM 383 CZ ARG A 24 -1.450 -8.736 13.932 1.00 15.04 C ATOM 384 NH1 ARG A 24 -0.710 -8.836 15.033 1.00 33.31 N ATOM 385 NH2 ARG A 24 -1.799 -7.537 13.478 1.00 3.10 N ATOM 0 H ARG A 24 1.122 -13.125 11.273 1.00 61.22 H new ATOM 0 HA ARG A 24 -0.220 -15.473 12.490 1.00 61.15 H new ATOM 0 HB2 ARG A 24 -1.838 -13.909 13.420 1.00 23.53 H new ATOM 0 HB3 ARG A 24 -0.223 -13.515 13.974 1.00 23.53 H new ATOM 0 HG2 ARG A 24 -0.107 -11.712 12.227 1.00 63.22 H new ATOM 0 HG3 ARG A 24 -1.763 -12.074 11.784 1.00 63.22 H new ATOM 0 HD2 ARG A 24 -2.451 -11.628 14.169 1.00 15.12 H new ATOM 0 HD3 ARG A 24 -0.799 -11.162 14.526 1.00 15.12 H new ATOM 0 HE ARG A 24 -2.363 -9.718 12.415 1.00 4.41 H new ATOM 0 HH11 ARG A 24 -0.436 -9.755 15.382 1.00 33.31 H new ATOM 0 HH12 ARG A 24 -0.416 -7.994 15.528 1.00 33.31 H new ATOM 0 HH21 ARG A 24 -2.362 -7.456 12.631 1.00 3.10 H new ATOM 0 HH22 ARG A 24 -1.504 -6.697 13.976 1.00 3.10 H new ATOM 399 N LEU A 25 -0.566 -14.631 9.650 1.00 54.12 N ATOM 400 CA LEU A 25 -1.311 -14.667 8.398 1.00 52.25 C ATOM 401 C LEU A 25 -1.232 -16.044 7.755 1.00 33.31 C ATOM 402 O LEU A 25 -0.148 -16.612 7.616 1.00 44.20 O ATOM 403 CB LEU A 25 -0.779 -13.613 7.422 1.00 13.42 C ATOM 404 CG LEU A 25 -1.639 -12.354 7.273 1.00 25.14 C ATOM 405 CD1 LEU A 25 -1.833 -11.667 8.613 1.00 53.52 C ATOM 406 CD2 LEU A 25 -1.010 -11.402 6.266 1.00 60.44 C ATOM 0 H LEU A 25 0.447 -14.675 9.539 1.00 54.12 H new ATOM 0 HA LEU A 25 -2.354 -14.447 8.628 1.00 52.25 H new ATOM 0 HB2 LEU A 25 0.218 -13.314 7.746 1.00 13.42 H new ATOM 0 HB3 LEU A 25 -0.670 -14.075 6.441 1.00 13.42 H new ATOM 0 HG LEU A 25 -2.621 -12.651 6.904 1.00 25.14 H new ATOM 0 HD11 LEU A 25 -2.447 -10.776 8.480 1.00 53.52 H new ATOM 0 HD12 LEU A 25 -2.329 -12.349 9.303 1.00 53.52 H new ATOM 0 HD13 LEU A 25 -0.863 -11.381 9.019 1.00 53.52 H new ATOM 0 HD21 LEU A 25 -1.631 -10.512 6.170 1.00 60.44 H new ATOM 0 HD22 LEU A 25 -0.016 -11.115 6.608 1.00 60.44 H new ATOM 0 HD23 LEU A 25 -0.932 -11.896 5.298 1.00 60.44 H new ATOM 418 N GLU A 26 -2.388 -16.573 7.380 1.00 74.24 N ATOM 419 CA GLU A 26 -2.468 -17.829 6.647 1.00 31.20 C ATOM 420 C GLU A 26 -1.945 -17.663 5.227 1.00 32.51 C ATOM 421 O GLU A 26 -1.915 -16.554 4.692 1.00 73.14 O ATOM 422 CB GLU A 26 -3.916 -18.320 6.601 1.00 40.11 C ATOM 423 CG GLU A 26 -4.279 -19.280 7.720 1.00 74.35 C ATOM 424 CD GLU A 26 -3.510 -20.582 7.626 1.00 24.21 C ATOM 425 OE1 GLU A 26 -3.845 -21.420 6.759 1.00 22.13 O ATOM 426 OE2 GLU A 26 -2.571 -20.779 8.421 1.00 12.32 O ATOM 0 H GLU A 26 -3.294 -16.146 7.574 1.00 74.24 H new ATOM 0 HA GLU A 26 -1.850 -18.562 7.165 1.00 31.20 H new ATOM 0 HB2 GLU A 26 -4.582 -17.459 6.645 1.00 40.11 H new ATOM 0 HB3 GLU A 26 -4.092 -18.811 5.644 1.00 40.11 H new ATOM 0 HG2 GLU A 26 -4.076 -18.808 8.682 1.00 74.35 H new ATOM 0 HG3 GLU A 26 -5.348 -19.488 7.686 1.00 74.35 H new ATOM 433 N ILE A 27 -1.540 -18.772 4.624 1.00 35.22 N ATOM 434 CA ILE A 27 -1.082 -18.773 3.243 1.00 63.12 C ATOM 435 C ILE A 27 -2.151 -18.200 2.317 1.00 5.22 C ATOM 436 O ILE A 27 -1.839 -17.455 1.391 1.00 50.05 O ATOM 437 CB ILE A 27 -0.698 -20.196 2.780 1.00 35.23 C ATOM 438 CG1 ILE A 27 0.497 -20.714 3.587 1.00 15.52 C ATOM 439 CG2 ILE A 27 -0.381 -20.219 1.290 1.00 41.24 C ATOM 440 CD1 ILE A 27 1.746 -19.866 3.444 1.00 3.12 C ATOM 0 H ILE A 27 -1.520 -19.687 5.073 1.00 35.22 H new ATOM 0 HA ILE A 27 -0.194 -18.142 3.194 1.00 63.12 H new ATOM 0 HB ILE A 27 -1.551 -20.851 2.955 1.00 35.23 H new ATOM 0 HG12 ILE A 27 0.219 -20.761 4.640 1.00 15.52 H new ATOM 0 HG13 ILE A 27 0.723 -21.733 3.271 1.00 15.52 H new ATOM 0 HG21 ILE A 27 -0.114 -21.232 0.990 1.00 41.24 H new ATOM 0 HG22 ILE A 27 -1.255 -19.893 0.727 1.00 41.24 H new ATOM 0 HG23 ILE A 27 0.453 -19.548 1.085 1.00 41.24 H new ATOM 0 HD11 ILE A 27 2.548 -20.296 4.044 1.00 3.12 H new ATOM 0 HD12 ILE A 27 2.050 -19.839 2.398 1.00 3.12 H new ATOM 0 HD13 ILE A 27 1.539 -18.852 3.788 1.00 3.12 H new ATOM 452 N GLY A 28 -3.409 -18.536 2.594 1.00 51.23 N ATOM 453 CA GLY A 28 -4.519 -18.055 1.786 1.00 74.53 C ATOM 454 C GLY A 28 -4.501 -16.549 1.586 1.00 0.15 C ATOM 455 O GLY A 28 -4.594 -16.069 0.457 1.00 41.22 O ATOM 0 H GLY A 28 -3.681 -19.138 3.371 1.00 51.23 H new ATOM 0 HA2 GLY A 28 -4.492 -18.545 0.813 1.00 74.53 H new ATOM 0 HA3 GLY A 28 -5.457 -18.341 2.261 1.00 74.53 H new ATOM 459 N THR A 29 -4.368 -15.799 2.673 1.00 61.20 N ATOM 460 CA THR A 29 -4.318 -14.348 2.583 1.00 74.45 C ATOM 461 C THR A 29 -2.929 -13.877 2.156 1.00 52.33 C ATOM 462 O THR A 29 -2.796 -12.940 1.365 1.00 41.03 O ATOM 463 CB THR A 29 -4.719 -13.663 3.916 1.00 4.34 C ATOM 464 OG1 THR A 29 -4.473 -12.254 3.839 1.00 51.22 O ATOM 465 CG2 THR A 29 -3.961 -14.248 5.100 1.00 0.04 C ATOM 0 H THR A 29 -4.293 -16.170 3.620 1.00 61.20 H new ATOM 0 HA THR A 29 -5.046 -14.056 1.826 1.00 74.45 H new ATOM 0 HB THR A 29 -5.783 -13.844 4.071 1.00 4.34 H new ATOM 0 HG1 THR A 29 -4.731 -11.830 4.684 1.00 51.22 H new ATOM 0 HG21 THR A 29 -4.269 -13.742 6.015 1.00 0.04 H new ATOM 0 HG22 THR A 29 -4.180 -15.313 5.182 1.00 0.04 H new ATOM 0 HG23 THR A 29 -2.890 -14.108 4.951 1.00 0.04 H new ATOM 473 N PHE A 30 -1.896 -14.550 2.653 1.00 21.22 N ATOM 474 CA PHE A 30 -0.525 -14.129 2.406 1.00 13.13 C ATOM 475 C PHE A 30 -0.174 -14.222 0.922 1.00 12.45 C ATOM 476 O PHE A 30 0.379 -13.284 0.356 1.00 22.11 O ATOM 477 CB PHE A 30 0.450 -14.957 3.242 1.00 53.11 C ATOM 478 CG PHE A 30 1.860 -14.432 3.231 1.00 50.42 C ATOM 479 CD1 PHE A 30 2.111 -13.078 3.396 1.00 32.43 C ATOM 480 CD2 PHE A 30 2.932 -15.294 3.069 1.00 3.20 C ATOM 481 CE1 PHE A 30 3.406 -12.595 3.398 1.00 11.10 C ATOM 482 CE2 PHE A 30 4.229 -14.815 3.069 1.00 30.22 C ATOM 483 CZ PHE A 30 4.467 -13.465 3.233 1.00 54.21 C ATOM 0 H PHE A 30 -1.984 -15.388 3.228 1.00 21.22 H new ATOM 0 HA PHE A 30 -0.438 -13.084 2.704 1.00 13.13 H new ATOM 0 HB2 PHE A 30 0.093 -14.991 4.271 1.00 53.11 H new ATOM 0 HB3 PHE A 30 0.451 -15.982 2.872 1.00 53.11 H new ATOM 0 HD1 PHE A 30 1.285 -12.394 3.524 1.00 32.43 H new ATOM 0 HD2 PHE A 30 2.753 -16.351 2.941 1.00 3.20 H new ATOM 0 HE1 PHE A 30 3.589 -11.539 3.528 1.00 11.10 H new ATOM 0 HE2 PHE A 30 5.056 -15.497 2.941 1.00 30.22 H new ATOM 0 HZ PHE A 30 5.480 -13.090 3.232 1.00 54.21 H new ATOM 493 N ARG A 31 -0.522 -15.338 0.287 1.00 13.32 N ATOM 494 CA ARG A 31 -0.209 -15.531 -1.125 1.00 70.43 C ATOM 495 C ARG A 31 -1.141 -14.697 -1.999 1.00 34.51 C ATOM 496 O ARG A 31 -0.797 -14.343 -3.126 1.00 23.12 O ATOM 497 CB ARG A 31 -0.309 -17.009 -1.521 1.00 11.44 C ATOM 498 CG ARG A 31 -1.737 -17.501 -1.688 1.00 63.30 C ATOM 499 CD ARG A 31 -1.792 -18.932 -2.191 1.00 41.05 C ATOM 500 NE ARG A 31 -3.153 -19.321 -2.550 1.00 70.33 N ATOM 501 CZ ARG A 31 -3.530 -20.567 -2.829 1.00 51.32 C ATOM 502 NH1 ARG A 31 -2.655 -21.561 -2.758 1.00 63.24 N ATOM 503 NH2 ARG A 31 -4.789 -20.819 -3.169 1.00 21.31 N ATOM 0 H ARG A 31 -1.017 -16.116 0.724 1.00 13.32 H new ATOM 0 HA ARG A 31 0.818 -15.202 -1.283 1.00 70.43 H new ATOM 0 HB2 ARG A 31 0.231 -17.163 -2.455 1.00 11.44 H new ATOM 0 HB3 ARG A 31 0.188 -17.614 -0.762 1.00 11.44 H new ATOM 0 HG2 ARG A 31 -2.258 -17.433 -0.733 1.00 63.30 H new ATOM 0 HG3 ARG A 31 -2.265 -16.851 -2.386 1.00 63.30 H new ATOM 0 HD2 ARG A 31 -1.141 -19.039 -3.059 1.00 41.05 H new ATOM 0 HD3 ARG A 31 -1.411 -19.604 -1.422 1.00 41.05 H new ATOM 0 HE ARG A 31 -3.862 -18.589 -2.590 1.00 70.33 H new ATOM 0 HH11 ARG A 31 -1.689 -21.372 -2.489 1.00 63.24 H new ATOM 0 HH12 ARG A 31 -2.948 -22.514 -2.972 1.00 63.24 H new ATOM 0 HH21 ARG A 31 -5.467 -20.058 -3.216 1.00 21.31 H new ATOM 0 HH22 ARG A 31 -5.078 -21.773 -3.383 1.00 21.31 H new ATOM 517 N HIS A 32 -2.313 -14.364 -1.457 1.00 42.22 N ATOM 518 CA HIS A 32 -3.315 -13.595 -2.193 1.00 14.14 C ATOM 519 C HIS A 32 -2.798 -12.182 -2.471 1.00 2.11 C ATOM 520 O HIS A 32 -3.335 -11.459 -3.307 1.00 72.34 O ATOM 521 CB HIS A 32 -4.620 -13.540 -1.391 1.00 12.52 C ATOM 522 CG HIS A 32 -5.844 -13.326 -2.229 1.00 63.52 C ATOM 523 ND1 HIS A 32 -6.829 -14.280 -2.379 1.00 14.42 N ATOM 524 CD2 HIS A 32 -6.247 -12.258 -2.956 1.00 41.33 C ATOM 525 CE1 HIS A 32 -7.779 -13.808 -3.164 1.00 75.21 C ATOM 526 NE2 HIS A 32 -7.450 -12.583 -3.527 1.00 53.44 N ATOM 0 H HIS A 32 -2.591 -14.616 -0.509 1.00 42.22 H new ATOM 0 HA HIS A 32 -3.509 -14.084 -3.147 1.00 14.14 H new ATOM 0 HB2 HIS A 32 -4.732 -14.471 -0.835 1.00 12.52 H new ATOM 0 HB3 HIS A 32 -4.550 -12.737 -0.658 1.00 12.52 H new ATOM 0 HD2 HIS A 32 -5.718 -11.323 -3.066 1.00 41.33 H new ATOM 0 HE1 HIS A 32 -8.674 -14.335 -3.459 1.00 75.21 H new ATOM 0 HE2 HIS A 32 -8.001 -11.976 -4.134 1.00 53.44 H new ATOM 535 N HIS A 33 -1.756 -11.804 -1.745 1.00 54.12 N ATOM 536 CA HIS A 33 -1.078 -10.537 -1.958 1.00 22.33 C ATOM 537 C HIS A 33 0.417 -10.711 -1.709 1.00 20.14 C ATOM 538 O HIS A 33 1.047 -9.904 -1.030 1.00 63.32 O ATOM 539 CB HIS A 33 -1.666 -9.426 -1.062 1.00 23.31 C ATOM 540 CG HIS A 33 -1.796 -9.770 0.399 1.00 43.43 C ATOM 541 ND1 HIS A 33 -2.951 -9.538 1.116 1.00 53.52 N ATOM 542 CD2 HIS A 33 -0.911 -10.294 1.283 1.00 54.23 C ATOM 543 CE1 HIS A 33 -2.774 -9.903 2.371 1.00 74.42 C ATOM 544 NE2 HIS A 33 -1.544 -10.364 2.502 1.00 21.23 N ATOM 0 H HIS A 33 -1.358 -12.367 -0.993 1.00 54.12 H new ATOM 0 HA HIS A 33 -1.232 -10.228 -2.992 1.00 22.33 H new ATOM 0 HB2 HIS A 33 -1.038 -8.540 -1.154 1.00 23.31 H new ATOM 0 HB3 HIS A 33 -2.652 -9.160 -1.443 1.00 23.31 H new ATOM 0 HD2 HIS A 33 0.103 -10.600 1.069 1.00 54.23 H new ATOM 0 HE1 HIS A 33 -3.511 -9.836 3.158 1.00 74.42 H new ATOM 0 HE2 HIS A 33 -1.131 -10.715 3.366 1.00 21.23 H new ATOM 553 N LYS A 34 0.972 -11.778 -2.270 1.00 33.22 N ATOM 554 CA LYS A 34 2.370 -12.130 -2.039 1.00 71.42 C ATOM 555 C LYS A 34 3.310 -11.266 -2.877 1.00 52.34 C ATOM 556 O LYS A 34 3.952 -10.350 -2.364 1.00 52.12 O ATOM 557 CB LYS A 34 2.602 -13.609 -2.367 1.00 23.43 C ATOM 558 CG LYS A 34 3.990 -14.109 -1.996 1.00 44.31 C ATOM 559 CD LYS A 34 4.158 -14.205 -0.489 1.00 61.25 C ATOM 560 CE LYS A 34 5.575 -14.595 -0.100 1.00 72.11 C ATOM 561 NZ LYS A 34 6.544 -13.500 -0.351 1.00 2.03 N ATOM 0 H LYS A 34 0.475 -12.417 -2.890 1.00 33.22 H new ATOM 0 HA LYS A 34 2.588 -11.949 -0.986 1.00 71.42 H new ATOM 0 HB2 LYS A 34 1.858 -14.209 -1.843 1.00 23.43 H new ATOM 0 HB3 LYS A 34 2.443 -13.764 -3.434 1.00 23.43 H new ATOM 0 HG2 LYS A 34 4.159 -15.087 -2.446 1.00 44.31 H new ATOM 0 HG3 LYS A 34 4.743 -13.436 -2.406 1.00 44.31 H new ATOM 0 HD2 LYS A 34 3.907 -13.247 -0.034 1.00 61.25 H new ATOM 0 HD3 LYS A 34 3.457 -14.939 -0.092 1.00 61.25 H new ATOM 0 HE2 LYS A 34 5.599 -14.865 0.956 1.00 72.11 H new ATOM 0 HE3 LYS A 34 5.874 -15.479 -0.662 1.00 72.11 H new ATOM 0 HZ1 LYS A 34 7.464 -13.748 0.066 1.00 2.03 H new ATOM 0 HZ2 LYS A 34 6.654 -13.362 -1.376 1.00 2.03 H new ATOM 0 HZ3 LYS A 34 6.194 -12.621 0.081 1.00 2.03 H new ATOM 575 N SER A 35 3.379 -11.560 -4.169 1.00 24.44 N ATOM 576 CA SER A 35 4.313 -10.883 -5.059 1.00 42.51 C ATOM 577 C SER A 35 3.579 -9.884 -5.950 1.00 62.11 C ATOM 578 O SER A 35 4.201 -9.124 -6.693 1.00 42.42 O ATOM 579 CB SER A 35 5.032 -11.927 -5.919 1.00 25.31 C ATOM 580 OG SER A 35 5.433 -13.040 -5.134 1.00 11.12 O ATOM 0 H SER A 35 2.798 -12.264 -4.624 1.00 24.44 H new ATOM 0 HA SER A 35 5.042 -10.334 -4.463 1.00 42.51 H new ATOM 0 HB2 SER A 35 4.373 -12.261 -6.720 1.00 25.31 H new ATOM 0 HB3 SER A 35 5.905 -11.476 -6.391 1.00 25.31 H new ATOM 0 HG SER A 35 5.888 -13.695 -5.703 1.00 11.12 H new ATOM 586 N CYS A 36 2.256 -9.878 -5.833 1.00 34.32 N ATOM 587 CA CYS A 36 1.382 -9.107 -6.712 1.00 61.43 C ATOM 588 C CYS A 36 1.799 -7.641 -6.822 1.00 63.50 C ATOM 589 O CYS A 36 2.100 -7.151 -7.912 1.00 21.24 O ATOM 590 CB CYS A 36 -0.051 -9.201 -6.191 1.00 3.22 C ATOM 591 SG CYS A 36 -0.622 -10.901 -5.955 1.00 30.04 S ATOM 0 H CYS A 36 1.756 -10.411 -5.122 1.00 34.32 H new ATOM 0 HA CYS A 36 1.458 -9.532 -7.713 1.00 61.43 H new ATOM 0 HB2 CYS A 36 -0.120 -8.668 -5.243 1.00 3.22 H new ATOM 0 HB3 CYS A 36 -0.717 -8.696 -6.890 1.00 3.22 H new ATOM 0 HG CYS A 36 -1.843 -10.891 -5.510 1.00 30.04 H new ATOM 597 N MET A 37 1.817 -6.952 -5.690 1.00 21.11 N ATOM 598 CA MET A 37 2.108 -5.522 -5.665 1.00 75.01 C ATOM 599 C MET A 37 3.533 -5.217 -6.115 1.00 44.21 C ATOM 600 O MET A 37 3.786 -4.162 -6.692 1.00 42.21 O ATOM 601 CB MET A 37 1.887 -4.934 -4.266 1.00 41.13 C ATOM 602 CG MET A 37 0.468 -5.087 -3.738 1.00 3.24 C ATOM 603 SD MET A 37 0.116 -6.761 -3.171 1.00 11.22 S ATOM 604 CE MET A 37 1.264 -6.886 -1.799 1.00 64.10 C ATOM 0 H MET A 37 1.633 -7.360 -4.773 1.00 21.11 H new ATOM 0 HA MET A 37 1.416 -5.058 -6.368 1.00 75.01 H new ATOM 0 HB2 MET A 37 2.575 -5.415 -3.570 1.00 41.13 H new ATOM 0 HB3 MET A 37 2.142 -3.875 -4.286 1.00 41.13 H new ATOM 0 HG2 MET A 37 0.313 -4.389 -2.915 1.00 3.24 H new ATOM 0 HG3 MET A 37 -0.239 -4.817 -4.523 1.00 3.24 H new ATOM 0 HE1 MET A 37 2.072 -7.569 -2.061 1.00 64.10 H new ATOM 0 HE2 MET A 37 1.678 -5.902 -1.580 1.00 64.10 H new ATOM 0 HE3 MET A 37 0.741 -7.263 -0.920 1.00 64.10 H new ATOM 614 N ARG A 38 4.463 -6.126 -5.856 1.00 33.21 N ATOM 615 CA ARG A 38 5.862 -5.863 -6.161 1.00 63.55 C ATOM 616 C ARG A 38 6.136 -6.018 -7.648 1.00 32.31 C ATOM 617 O ARG A 38 6.854 -5.213 -8.238 1.00 40.11 O ATOM 618 CB ARG A 38 6.788 -6.784 -5.374 1.00 2.32 C ATOM 619 CG ARG A 38 8.161 -6.164 -5.136 1.00 63.42 C ATOM 620 CD ARG A 38 9.068 -7.038 -4.284 1.00 65.24 C ATOM 621 NE ARG A 38 10.324 -6.352 -3.970 1.00 71.33 N ATOM 622 CZ ARG A 38 11.444 -6.960 -3.582 1.00 42.12 C ATOM 623 NH1 ARG A 38 11.487 -8.282 -3.463 1.00 43.52 N ATOM 624 NH2 ARG A 38 12.522 -6.237 -3.318 1.00 50.01 N ATOM 0 H ARG A 38 4.278 -7.039 -5.441 1.00 33.21 H new ATOM 0 HA ARG A 38 6.064 -4.833 -5.867 1.00 63.55 H new ATOM 0 HB2 ARG A 38 6.329 -7.022 -4.415 1.00 2.32 H new ATOM 0 HB3 ARG A 38 6.905 -7.724 -5.914 1.00 2.32 H new ATOM 0 HG2 ARG A 38 8.642 -5.979 -6.097 1.00 63.42 H new ATOM 0 HG3 ARG A 38 8.037 -5.196 -4.650 1.00 63.42 H new ATOM 0 HD2 ARG A 38 8.556 -7.305 -3.360 1.00 65.24 H new ATOM 0 HD3 ARG A 38 9.281 -7.968 -4.811 1.00 65.24 H new ATOM 0 HE ARG A 38 10.342 -5.336 -4.055 1.00 71.33 H new ATOM 0 HH11 ARG A 38 10.658 -8.840 -3.669 1.00 43.52 H new ATOM 0 HH12 ARG A 38 12.349 -8.740 -3.165 1.00 43.52 H new ATOM 0 HH21 ARG A 38 12.491 -5.222 -3.412 1.00 50.01 H new ATOM 0 HH22 ARG A 38 13.383 -6.695 -3.020 1.00 50.01 H new ATOM 638 N LYS A 39 5.565 -7.058 -8.236 1.00 33.11 N ATOM 639 CA LYS A 39 5.773 -7.349 -9.654 1.00 31.42 C ATOM 640 C LYS A 39 5.229 -6.247 -10.551 1.00 71.01 C ATOM 641 O LYS A 39 5.989 -5.518 -11.191 1.00 23.23 O ATOM 642 CB LYS A 39 5.085 -8.648 -10.049 1.00 1.32 C ATOM 643 CG LYS A 39 5.626 -9.886 -9.370 1.00 25.22 C ATOM 644 CD LYS A 39 5.027 -11.130 -9.998 1.00 34.41 C ATOM 645 CE LYS A 39 5.385 -11.214 -11.472 1.00 50.32 C ATOM 646 NZ LYS A 39 4.874 -12.454 -12.115 1.00 24.44 N ATOM 0 H LYS A 39 4.953 -7.718 -7.756 1.00 33.11 H new ATOM 0 HA LYS A 39 6.852 -7.428 -9.791 1.00 31.42 H new ATOM 0 HB2 LYS A 39 4.022 -8.563 -9.823 1.00 1.32 H new ATOM 0 HB3 LYS A 39 5.173 -8.775 -11.128 1.00 1.32 H new ATOM 0 HG2 LYS A 39 6.712 -9.912 -9.457 1.00 25.22 H new ATOM 0 HG3 LYS A 39 5.392 -9.858 -8.306 1.00 25.22 H new ATOM 0 HD2 LYS A 39 5.391 -12.017 -9.479 1.00 34.41 H new ATOM 0 HD3 LYS A 39 3.943 -11.116 -9.882 1.00 34.41 H new ATOM 0 HE2 LYS A 39 4.978 -10.346 -11.991 1.00 50.32 H new ATOM 0 HE3 LYS A 39 6.469 -11.172 -11.582 1.00 50.32 H new ATOM 0 HZ1 LYS A 39 5.145 -12.462 -13.119 1.00 24.44 H new ATOM 0 HZ2 LYS A 39 5.281 -13.285 -11.640 1.00 24.44 H new ATOM 0 HZ3 LYS A 39 3.837 -12.484 -12.036 1.00 24.44 H new ATOM 660 N PHE A 40 3.902 -6.158 -10.600 1.00 44.41 N ATOM 661 CA PHE A 40 3.217 -5.217 -11.491 1.00 2.22 C ATOM 662 C PHE A 40 3.704 -3.784 -11.288 1.00 34.51 C ATOM 663 O PHE A 40 3.945 -3.061 -12.259 1.00 74.11 O ATOM 664 CB PHE A 40 1.699 -5.282 -11.290 1.00 63.53 C ATOM 665 CG PHE A 40 0.927 -4.539 -12.347 1.00 11.34 C ATOM 666 CD1 PHE A 40 0.612 -3.197 -12.189 1.00 32.00 C ATOM 667 CD2 PHE A 40 0.525 -5.184 -13.505 1.00 50.13 C ATOM 668 CE1 PHE A 40 -0.089 -2.516 -13.165 1.00 73.42 C ATOM 669 CE2 PHE A 40 -0.177 -4.507 -14.484 1.00 64.14 C ATOM 670 CZ PHE A 40 -0.483 -3.172 -14.315 1.00 75.21 C ATOM 0 H PHE A 40 3.275 -6.727 -10.032 1.00 44.41 H new ATOM 0 HA PHE A 40 3.456 -5.514 -12.512 1.00 2.22 H new ATOM 0 HB2 PHE A 40 1.384 -6.326 -11.286 1.00 63.53 H new ATOM 0 HB3 PHE A 40 1.451 -4.870 -10.312 1.00 63.53 H new ATOM 0 HD1 PHE A 40 0.919 -2.679 -11.292 1.00 32.00 H new ATOM 0 HD2 PHE A 40 0.763 -6.228 -13.644 1.00 50.13 H new ATOM 0 HE1 PHE A 40 -0.329 -1.472 -13.029 1.00 73.42 H new ATOM 0 HE2 PHE A 40 -0.486 -5.023 -15.381 1.00 64.14 H new ATOM 0 HZ PHE A 40 -1.030 -2.641 -15.080 1.00 75.21 H new ATOM 680 N LYS A 41 3.853 -3.371 -10.034 1.00 2.42 N ATOM 681 CA LYS A 41 4.353 -2.033 -9.735 1.00 71.14 C ATOM 682 C LYS A 41 5.875 -2.052 -9.778 1.00 0.32 C ATOM 683 O LYS A 41 6.542 -1.850 -8.768 1.00 65.54 O ATOM 684 CB LYS A 41 3.856 -1.553 -8.366 1.00 51.21 C ATOM 685 CG LYS A 41 2.344 -1.614 -8.207 1.00 54.40 C ATOM 686 CD LYS A 41 1.629 -0.759 -9.241 1.00 32.13 C ATOM 687 CE LYS A 41 0.119 -0.824 -9.068 1.00 14.55 C ATOM 688 NZ LYS A 41 -0.319 -0.331 -7.730 1.00 52.53 N ATOM 0 H LYS A 41 3.637 -3.938 -9.214 1.00 2.42 H new ATOM 0 HA LYS A 41 3.976 -1.335 -10.482 1.00 71.14 H new ATOM 0 HB2 LYS A 41 4.319 -2.160 -7.588 1.00 51.21 H new ATOM 0 HB3 LYS A 41 4.188 -0.527 -8.209 1.00 51.21 H new ATOM 0 HG2 LYS A 41 2.011 -2.648 -8.298 1.00 54.40 H new ATOM 0 HG3 LYS A 41 2.071 -1.278 -7.207 1.00 54.40 H new ATOM 0 HD2 LYS A 41 1.962 0.275 -9.153 1.00 32.13 H new ATOM 0 HD3 LYS A 41 1.897 -1.097 -10.242 1.00 32.13 H new ATOM 0 HE2 LYS A 41 -0.360 -0.230 -9.846 1.00 14.55 H new ATOM 0 HE3 LYS A 41 -0.216 -1.853 -9.201 1.00 14.55 H new ATOM 0 HZ1 LYS A 41 -1.353 -0.218 -7.723 1.00 52.53 H new ATOM 0 HZ2 LYS A 41 -0.041 -1.017 -6.999 1.00 52.53 H new ATOM 0 HZ3 LYS A 41 0.131 0.586 -7.534 1.00 52.53 H new ATOM 702 N GLU A 42 6.399 -2.301 -10.969 1.00 71.51 N ATOM 703 CA GLU A 42 7.817 -2.571 -11.175 1.00 4.20 C ATOM 704 C GLU A 42 8.702 -1.352 -10.920 1.00 72.14 C ATOM 705 O GLU A 42 9.881 -1.497 -10.597 1.00 74.13 O ATOM 706 CB GLU A 42 8.025 -3.064 -12.607 1.00 51.32 C ATOM 707 CG GLU A 42 7.502 -2.095 -13.657 1.00 3.24 C ATOM 708 CD GLU A 42 7.643 -2.622 -15.067 1.00 32.21 C ATOM 709 OE1 GLU A 42 8.750 -2.518 -15.632 1.00 24.53 O ATOM 710 OE2 GLU A 42 6.642 -3.134 -15.615 1.00 73.53 O ATOM 0 H GLU A 42 5.849 -2.322 -11.828 1.00 71.51 H new ATOM 0 HA GLU A 42 8.113 -3.331 -10.452 1.00 4.20 H new ATOM 0 HB2 GLU A 42 9.089 -3.233 -12.775 1.00 51.32 H new ATOM 0 HB3 GLU A 42 7.527 -4.026 -12.729 1.00 51.32 H new ATOM 0 HG2 GLU A 42 6.452 -1.883 -13.457 1.00 3.24 H new ATOM 0 HG3 GLU A 42 8.040 -1.151 -13.572 1.00 3.24 H new ATOM 717 N TYR A 43 8.138 -0.164 -11.067 1.00 23.32 N ATOM 718 CA TYR A 43 8.920 1.061 -10.988 1.00 63.31 C ATOM 719 C TYR A 43 9.377 1.354 -9.559 1.00 71.42 C ATOM 720 O TYR A 43 8.587 1.323 -8.611 1.00 73.41 O ATOM 721 CB TYR A 43 8.137 2.249 -11.574 1.00 0.24 C ATOM 722 CG TYR A 43 6.805 2.535 -10.911 1.00 13.34 C ATOM 723 CD1 TYR A 43 5.674 1.788 -11.220 1.00 71.30 C ATOM 724 CD2 TYR A 43 6.677 3.563 -9.988 1.00 4.01 C ATOM 725 CE1 TYR A 43 4.457 2.059 -10.624 1.00 1.05 C ATOM 726 CE2 TYR A 43 5.464 3.841 -9.392 1.00 54.21 C ATOM 727 CZ TYR A 43 4.360 3.087 -9.711 1.00 21.30 C ATOM 728 OH TYR A 43 3.151 3.366 -9.121 1.00 61.24 O ATOM 0 H TYR A 43 7.143 -0.021 -11.241 1.00 23.32 H new ATOM 0 HA TYR A 43 9.818 0.914 -11.588 1.00 63.31 H new ATOM 0 HB2 TYR A 43 8.758 3.142 -11.505 1.00 0.24 H new ATOM 0 HB3 TYR A 43 7.964 2.062 -12.634 1.00 0.24 H new ATOM 0 HD1 TYR A 43 5.748 0.984 -11.937 1.00 71.30 H new ATOM 0 HD2 TYR A 43 7.542 4.156 -9.731 1.00 4.01 H new ATOM 0 HE1 TYR A 43 3.587 1.469 -10.872 1.00 1.05 H new ATOM 0 HE2 TYR A 43 5.382 4.647 -8.678 1.00 54.21 H new ATOM 0 HH TYR A 43 3.255 4.119 -8.502 1.00 61.24 H new ATOM 738 N CYS A 44 10.670 1.620 -9.420 1.00 71.13 N ATOM 739 CA CYS A 44 11.266 1.958 -8.136 1.00 51.43 C ATOM 740 C CYS A 44 11.769 3.395 -8.160 1.00 63.21 C ATOM 741 O CYS A 44 11.870 3.996 -9.232 1.00 51.35 O ATOM 742 CB CYS A 44 12.419 1.004 -7.820 1.00 63.11 C ATOM 743 SG CYS A 44 11.923 -0.729 -7.685 1.00 23.10 S ATOM 0 H CYS A 44 11.334 1.607 -10.195 1.00 71.13 H new ATOM 0 HA CYS A 44 10.508 1.859 -7.359 1.00 51.43 H new ATOM 0 HB2 CYS A 44 13.176 1.095 -8.599 1.00 63.11 H new ATOM 0 HB3 CYS A 44 12.886 1.312 -6.884 1.00 63.11 H new ATOM 0 HG CYS A 44 11.187 -1.051 -8.707 1.00 23.10 H new ATOM 749 N GLU A 45 12.081 3.936 -6.976 1.00 34.33 N ATOM 750 CA GLU A 45 12.540 5.323 -6.838 1.00 54.41 C ATOM 751 C GLU A 45 11.406 6.286 -7.208 1.00 12.12 C ATOM 752 O GLU A 45 10.312 5.854 -7.579 1.00 2.13 O ATOM 753 CB GLU A 45 13.783 5.566 -7.713 1.00 74.34 C ATOM 754 CG GLU A 45 14.922 6.298 -7.011 1.00 71.54 C ATOM 755 CD GLU A 45 14.669 7.783 -6.848 1.00 62.04 C ATOM 756 OE1 GLU A 45 14.001 8.173 -5.875 1.00 54.00 O ATOM 757 OE2 GLU A 45 15.132 8.566 -7.706 1.00 52.32 O ATOM 0 H GLU A 45 12.023 3.429 -6.093 1.00 34.33 H new ATOM 0 HA GLU A 45 12.821 5.506 -5.801 1.00 54.41 H new ATOM 0 HB2 GLU A 45 14.152 4.605 -8.071 1.00 74.34 H new ATOM 0 HB3 GLU A 45 13.486 6.140 -8.591 1.00 74.34 H new ATOM 0 HG2 GLU A 45 15.080 5.853 -6.028 1.00 71.54 H new ATOM 0 HG3 GLU A 45 15.842 6.153 -7.578 1.00 71.54 H new ATOM 764 N GLY A 46 11.650 7.582 -7.082 1.00 43.41 N ATOM 765 CA GLY A 46 10.638 8.563 -7.420 1.00 12.04 C ATOM 766 C GLY A 46 9.518 8.581 -6.405 1.00 11.40 C ATOM 767 O GLY A 46 8.346 8.731 -6.757 1.00 40.14 O ATOM 0 H GLY A 46 12.532 7.973 -6.751 1.00 43.41 H new ATOM 0 HA2 GLY A 46 11.094 9.552 -7.477 1.00 12.04 H new ATOM 0 HA3 GLY A 46 10.232 8.342 -8.407 1.00 12.04 H new ATOM 771 N LEU A 47 9.884 8.410 -5.144 1.00 22.21 N ATOM 772 CA LEU A 47 8.914 8.384 -4.066 1.00 14.14 C ATOM 773 C LEU A 47 9.529 8.992 -2.814 1.00 31.41 C ATOM 774 O LEU A 47 10.643 8.650 -2.426 1.00 11.01 O ATOM 775 CB LEU A 47 8.446 6.939 -3.812 1.00 33.35 C ATOM 776 CG LEU A 47 7.188 6.767 -2.941 1.00 32.42 C ATOM 777 CD1 LEU A 47 7.499 6.956 -1.464 1.00 61.33 C ATOM 778 CD2 LEU A 47 6.097 7.731 -3.383 1.00 23.31 C ATOM 0 H LEU A 47 10.851 8.287 -4.844 1.00 22.21 H new ATOM 0 HA LEU A 47 8.041 8.975 -4.343 1.00 14.14 H new ATOM 0 HB2 LEU A 47 8.260 6.466 -4.776 1.00 33.35 H new ATOM 0 HB3 LEU A 47 9.264 6.393 -3.341 1.00 33.35 H new ATOM 0 HG LEU A 47 6.831 5.746 -3.076 1.00 32.42 H new ATOM 0 HD11 LEU A 47 6.587 6.827 -0.881 1.00 61.33 H new ATOM 0 HD12 LEU A 47 8.238 6.218 -1.150 1.00 61.33 H new ATOM 0 HD13 LEU A 47 7.895 7.958 -1.301 1.00 61.33 H new ATOM 0 HD21 LEU A 47 5.216 7.595 -2.756 1.00 23.31 H new ATOM 0 HD22 LEU A 47 6.456 8.756 -3.287 1.00 23.31 H new ATOM 0 HD23 LEU A 47 5.837 7.534 -4.423 1.00 23.31 H new ATOM 790 N GLN A 48 8.797 9.905 -2.203 1.00 25.13 N ATOM 791 CA GLN A 48 9.239 10.561 -0.982 1.00 24.55 C ATOM 792 C GLN A 48 8.061 10.680 -0.030 1.00 63.50 C ATOM 793 O GLN A 48 6.986 10.140 -0.291 1.00 45.11 O ATOM 794 CB GLN A 48 9.793 11.958 -1.275 1.00 64.12 C ATOM 795 CG GLN A 48 11.133 12.254 -0.614 1.00 53.44 C ATOM 796 CD GLN A 48 12.287 11.505 -1.250 1.00 23.31 C ATOM 797 OE1 GLN A 48 12.216 11.293 -2.556 1.00 25.34 O flip ATOM 798 NE2 GLN A 48 13.255 11.151 -0.577 1.00 33.03 N flip ATOM 0 H GLN A 48 7.883 10.213 -2.535 1.00 25.13 H new ATOM 0 HA GLN A 48 10.033 9.963 -0.535 1.00 24.55 H new ATOM 0 HB2 GLN A 48 9.900 12.075 -2.353 1.00 64.12 H new ATOM 0 HB3 GLN A 48 9.067 12.700 -0.945 1.00 64.12 H new ATOM 0 HG2 GLN A 48 11.329 13.325 -0.667 1.00 53.44 H new ATOM 0 HG3 GLN A 48 11.076 11.993 0.443 1.00 53.44 H new ATOM 0 HE21 GLN A 48 13.272 11.333 0.427 1.00 33.03 H new ATOM 0 HE22 GLN A 48 14.040 10.676 -1.023 1.00 33.03 H new ATOM 807 N PHE A 49 8.246 11.427 1.042 1.00 5.10 N ATOM 808 CA PHE A 49 7.213 11.548 2.062 1.00 65.42 C ATOM 809 C PHE A 49 6.178 12.587 1.664 1.00 13.04 C ATOM 810 O PHE A 49 5.001 12.466 1.990 1.00 0.23 O ATOM 811 CB PHE A 49 7.820 11.883 3.428 1.00 52.23 C ATOM 812 CG PHE A 49 8.557 13.192 3.502 1.00 21.42 C ATOM 813 CD1 PHE A 49 9.896 13.267 3.158 1.00 53.22 C ATOM 814 CD2 PHE A 49 7.914 14.339 3.935 1.00 4.21 C ATOM 815 CE1 PHE A 49 10.579 14.462 3.241 1.00 51.20 C ATOM 816 CE2 PHE A 49 8.593 15.539 4.017 1.00 70.24 C ATOM 817 CZ PHE A 49 9.928 15.600 3.671 1.00 14.53 C ATOM 0 H PHE A 49 9.096 11.958 1.232 1.00 5.10 H new ATOM 0 HA PHE A 49 6.713 10.583 2.145 1.00 65.42 H new ATOM 0 HB2 PHE A 49 7.021 11.893 4.169 1.00 52.23 H new ATOM 0 HB3 PHE A 49 8.505 11.083 3.708 1.00 52.23 H new ATOM 0 HD1 PHE A 49 10.411 12.380 2.821 1.00 53.22 H new ATOM 0 HD2 PHE A 49 6.871 14.295 4.211 1.00 4.21 H new ATOM 0 HE1 PHE A 49 11.623 14.507 2.969 1.00 51.20 H new ATOM 0 HE2 PHE A 49 8.080 16.429 4.351 1.00 70.24 H new ATOM 0 HZ PHE A 49 10.462 16.537 3.737 1.00 14.53 H new ATOM 827 N HIS A 50 6.617 13.606 0.950 1.00 64.42 N ATOM 828 CA HIS A 50 5.697 14.627 0.464 1.00 52.15 C ATOM 829 C HIS A 50 5.190 14.264 -0.932 1.00 61.12 C ATOM 830 O HIS A 50 4.367 14.968 -1.511 1.00 50.33 O ATOM 831 CB HIS A 50 6.354 16.013 0.457 1.00 32.43 C ATOM 832 CG HIS A 50 5.373 17.135 0.291 1.00 10.20 C ATOM 833 ND1 HIS A 50 5.409 18.021 -0.761 1.00 50.24 N ATOM 834 CD2 HIS A 50 4.317 17.505 1.055 1.00 74.32 C ATOM 835 CE1 HIS A 50 4.419 18.886 -0.640 1.00 41.02 C ATOM 836 NE2 HIS A 50 3.740 18.595 0.454 1.00 25.41 N ATOM 0 H HIS A 50 7.593 13.752 0.694 1.00 64.42 H new ATOM 0 HA HIS A 50 4.848 14.667 1.146 1.00 52.15 H new ATOM 0 HB2 HIS A 50 6.901 16.153 1.390 1.00 32.43 H new ATOM 0 HB3 HIS A 50 7.085 16.057 -0.350 1.00 32.43 H new ATOM 0 HD2 HIS A 50 3.990 17.030 1.968 1.00 74.32 H new ATOM 0 HE1 HIS A 50 4.201 19.695 -1.321 1.00 41.02 H new ATOM 0 HE2 HIS A 50 2.921 19.098 0.796 1.00 25.41 H new ATOM 845 N GLU A 51 5.694 13.156 -1.467 1.00 4.15 N ATOM 846 CA GLU A 51 5.198 12.625 -2.731 1.00 71.30 C ATOM 847 C GLU A 51 3.924 11.834 -2.485 1.00 64.44 C ATOM 848 O GLU A 51 3.020 11.799 -3.320 1.00 54.33 O ATOM 849 CB GLU A 51 6.241 11.720 -3.392 1.00 31.40 C ATOM 850 CG GLU A 51 7.509 12.440 -3.813 1.00 14.03 C ATOM 851 CD GLU A 51 7.259 13.481 -4.878 1.00 35.32 C ATOM 852 OE1 GLU A 51 7.015 13.098 -6.040 1.00 40.41 O ATOM 853 OE2 GLU A 51 7.312 14.686 -4.560 1.00 13.45 O ATOM 0 H GLU A 51 6.445 12.609 -1.045 1.00 4.15 H new ATOM 0 HA GLU A 51 4.993 13.461 -3.399 1.00 71.30 H new ATOM 0 HB2 GLU A 51 6.503 10.920 -2.700 1.00 31.40 H new ATOM 0 HB3 GLU A 51 5.795 11.250 -4.268 1.00 31.40 H new ATOM 0 HG2 GLU A 51 7.958 12.917 -2.942 1.00 14.03 H new ATOM 0 HG3 GLU A 51 8.230 11.712 -4.184 1.00 14.03 H new ATOM 860 N LEU A 52 3.864 11.208 -1.320 1.00 72.21 N ATOM 861 CA LEU A 52 2.719 10.406 -0.939 1.00 21.32 C ATOM 862 C LEU A 52 1.639 11.313 -0.347 1.00 30.55 C ATOM 863 O LEU A 52 1.594 11.543 0.859 1.00 21.45 O ATOM 864 CB LEU A 52 3.154 9.330 0.065 1.00 34.21 C ATOM 865 CG LEU A 52 2.352 8.024 0.041 1.00 50.23 C ATOM 866 CD1 LEU A 52 0.931 8.242 0.527 1.00 10.33 C ATOM 867 CD2 LEU A 52 2.355 7.424 -1.359 1.00 44.12 C ATOM 0 H LEU A 52 4.604 11.243 -0.618 1.00 72.21 H new ATOM 0 HA LEU A 52 2.306 9.905 -1.814 1.00 21.32 H new ATOM 0 HB2 LEU A 52 4.202 9.093 -0.118 1.00 34.21 H new ATOM 0 HB3 LEU A 52 3.093 9.752 1.068 1.00 34.21 H new ATOM 0 HG LEU A 52 2.832 7.321 0.722 1.00 50.23 H new ATOM 0 HD11 LEU A 52 0.388 7.297 0.498 1.00 10.33 H new ATOM 0 HD12 LEU A 52 0.950 8.619 1.550 1.00 10.33 H new ATOM 0 HD13 LEU A 52 0.433 8.967 -0.117 1.00 10.33 H new ATOM 0 HD21 LEU A 52 1.781 6.497 -1.359 1.00 44.12 H new ATOM 0 HD22 LEU A 52 1.905 8.129 -2.058 1.00 44.12 H new ATOM 0 HD23 LEU A 52 3.381 7.216 -1.663 1.00 44.12 H new ATOM 879 N THR A 53 0.797 11.854 -1.216 1.00 1.33 N ATOM 880 CA THR A 53 -0.236 12.791 -0.802 1.00 61.11 C ATOM 881 C THR A 53 -1.606 12.372 -1.323 1.00 24.11 C ATOM 882 O THR A 53 -1.734 11.348 -2.000 1.00 21.14 O ATOM 883 CB THR A 53 0.075 14.211 -1.311 1.00 60.02 C ATOM 884 OG1 THR A 53 0.356 14.168 -2.717 1.00 62.41 O ATOM 885 CG2 THR A 53 1.259 14.815 -0.571 1.00 43.12 C ATOM 0 H THR A 53 0.810 11.658 -2.217 1.00 1.33 H new ATOM 0 HA THR A 53 -0.251 12.788 0.288 1.00 61.11 H new ATOM 0 HB THR A 53 -0.797 14.838 -1.127 1.00 60.02 H new ATOM 0 HG1 THR A 53 0.552 15.073 -3.039 1.00 62.41 H new ATOM 0 HG21 THR A 53 1.454 15.817 -0.953 1.00 43.12 H new ATOM 0 HG22 THR A 53 1.033 14.870 0.494 1.00 43.12 H new ATOM 0 HG23 THR A 53 2.140 14.191 -0.723 1.00 43.12 H new ATOM 893 N GLU A 54 -2.622 13.171 -1.012 1.00 21.55 N ATOM 894 CA GLU A 54 -3.975 12.933 -1.494 1.00 14.21 C ATOM 895 C GLU A 54 -4.009 12.981 -3.014 1.00 11.44 C ATOM 896 O GLU A 54 -4.655 12.151 -3.654 1.00 13.34 O ATOM 897 CB GLU A 54 -4.931 13.972 -0.889 1.00 2.21 C ATOM 898 CG GLU A 54 -6.311 14.036 -1.534 1.00 24.45 C ATOM 899 CD GLU A 54 -6.379 14.996 -2.708 1.00 70.51 C ATOM 900 OE1 GLU A 54 -5.960 16.162 -2.547 1.00 34.31 O ATOM 901 OE2 GLU A 54 -6.848 14.589 -3.791 1.00 10.42 O ATOM 0 H GLU A 54 -2.530 13.998 -0.421 1.00 21.55 H new ATOM 0 HA GLU A 54 -4.299 11.940 -1.182 1.00 14.21 H new ATOM 0 HB2 GLU A 54 -5.053 13.756 0.172 1.00 2.21 H new ATOM 0 HB3 GLU A 54 -4.467 14.956 -0.962 1.00 2.21 H new ATOM 0 HG2 GLU A 54 -6.594 13.039 -1.872 1.00 24.45 H new ATOM 0 HG3 GLU A 54 -7.042 14.338 -0.784 1.00 24.45 H new ATOM 908 N ASP A 55 -3.292 13.945 -3.582 1.00 65.21 N ATOM 909 CA ASP A 55 -3.224 14.111 -5.031 1.00 43.31 C ATOM 910 C ASP A 55 -2.727 12.829 -5.687 1.00 2.15 C ATOM 911 O ASP A 55 -3.283 12.370 -6.689 1.00 63.23 O ATOM 912 CB ASP A 55 -2.296 15.277 -5.387 1.00 61.01 C ATOM 913 CG ASP A 55 -2.291 15.587 -6.870 1.00 15.32 C ATOM 914 OD1 ASP A 55 -3.114 16.419 -7.309 1.00 21.02 O ATOM 915 OD2 ASP A 55 -1.456 15.016 -7.601 1.00 42.00 O ATOM 0 H ASP A 55 -2.746 14.628 -3.057 1.00 65.21 H new ATOM 0 HA ASP A 55 -4.225 14.330 -5.403 1.00 43.31 H new ATOM 0 HB2 ASP A 55 -2.606 16.164 -4.835 1.00 61.01 H new ATOM 0 HB3 ASP A 55 -1.282 15.040 -5.066 1.00 61.01 H new ATOM 920 N PHE A 56 -1.688 12.247 -5.094 1.00 41.34 N ATOM 921 CA PHE A 56 -1.130 10.992 -5.575 1.00 63.24 C ATOM 922 C PHE A 56 -2.161 9.877 -5.462 1.00 62.20 C ATOM 923 O PHE A 56 -2.429 9.179 -6.430 1.00 23.53 O ATOM 924 CB PHE A 56 0.126 10.628 -4.772 1.00 50.04 C ATOM 925 CG PHE A 56 0.832 9.387 -5.256 1.00 23.34 C ATOM 926 CD1 PHE A 56 0.476 8.131 -4.782 1.00 3.32 C ATOM 927 CD2 PHE A 56 1.856 9.481 -6.185 1.00 1.33 C ATOM 928 CE1 PHE A 56 1.129 6.997 -5.229 1.00 73.13 C ATOM 929 CE2 PHE A 56 2.512 8.351 -6.632 1.00 34.51 C ATOM 930 CZ PHE A 56 2.147 7.107 -6.155 1.00 30.52 C ATOM 0 H PHE A 56 -1.215 12.629 -4.275 1.00 41.34 H new ATOM 0 HA PHE A 56 -0.857 11.113 -6.623 1.00 63.24 H new ATOM 0 HB2 PHE A 56 0.822 11.466 -4.809 1.00 50.04 H new ATOM 0 HB3 PHE A 56 -0.152 10.490 -3.727 1.00 50.04 H new ATOM 0 HD1 PHE A 56 -0.319 8.039 -4.057 1.00 3.32 H new ATOM 0 HD2 PHE A 56 2.145 10.450 -6.564 1.00 1.33 H new ATOM 0 HE1 PHE A 56 0.843 6.026 -4.854 1.00 73.13 H new ATOM 0 HE2 PHE A 56 3.310 8.440 -7.354 1.00 34.51 H new ATOM 0 HZ PHE A 56 2.657 6.222 -6.506 1.00 30.52 H new ATOM 940 N LEU A 57 -2.745 9.728 -4.278 1.00 54.11 N ATOM 941 CA LEU A 57 -3.721 8.672 -4.017 1.00 24.03 C ATOM 942 C LEU A 57 -4.930 8.784 -4.937 1.00 3.51 C ATOM 943 O LEU A 57 -5.415 7.783 -5.465 1.00 3.34 O ATOM 944 CB LEU A 57 -4.168 8.721 -2.555 1.00 24.11 C ATOM 945 CG LEU A 57 -3.307 7.923 -1.566 1.00 50.33 C ATOM 946 CD1 LEU A 57 -3.576 6.434 -1.706 1.00 13.14 C ATOM 947 CD2 LEU A 57 -1.824 8.207 -1.769 1.00 3.12 C ATOM 0 H LEU A 57 -2.558 10.330 -3.476 1.00 54.11 H new ATOM 0 HA LEU A 57 -3.238 7.715 -4.217 1.00 24.03 H new ATOM 0 HB2 LEU A 57 -4.185 9.763 -2.235 1.00 24.11 H new ATOM 0 HB3 LEU A 57 -5.192 8.353 -2.495 1.00 24.11 H new ATOM 0 HG LEU A 57 -3.580 8.240 -0.559 1.00 50.33 H new ATOM 0 HD11 LEU A 57 -2.957 5.884 -0.997 1.00 13.14 H new ATOM 0 HD12 LEU A 57 -4.628 6.233 -1.501 1.00 13.14 H new ATOM 0 HD13 LEU A 57 -3.337 6.115 -2.720 1.00 13.14 H new ATOM 0 HD21 LEU A 57 -1.241 7.627 -1.054 1.00 3.12 H new ATOM 0 HD22 LEU A 57 -1.536 7.929 -2.783 1.00 3.12 H new ATOM 0 HD23 LEU A 57 -1.633 9.269 -1.616 1.00 3.12 H new ATOM 959 N ARG A 58 -5.408 10.003 -5.128 1.00 1.51 N ATOM 960 CA ARG A 58 -6.554 10.260 -5.988 1.00 54.14 C ATOM 961 C ARG A 58 -6.273 9.806 -7.420 1.00 25.03 C ATOM 962 O ARG A 58 -7.096 9.129 -8.037 1.00 72.23 O ATOM 963 CB ARG A 58 -6.903 11.750 -5.938 1.00 43.00 C ATOM 964 CG ARG A 58 -8.031 12.174 -6.865 1.00 42.42 C ATOM 965 CD ARG A 58 -7.504 13.020 -8.010 1.00 23.51 C ATOM 966 NE ARG A 58 -8.577 13.650 -8.777 1.00 23.14 N ATOM 967 CZ ARG A 58 -8.688 14.966 -8.946 1.00 23.42 C ATOM 968 NH1 ARG A 58 -7.855 15.792 -8.320 1.00 61.04 N ATOM 969 NH2 ARG A 58 -9.656 15.458 -9.708 1.00 64.02 N ATOM 0 H ARG A 58 -5.016 10.839 -4.694 1.00 1.51 H new ATOM 0 HA ARG A 58 -7.408 9.686 -5.628 1.00 54.14 H new ATOM 0 HB2 ARG A 58 -7.175 12.010 -4.915 1.00 43.00 H new ATOM 0 HB3 ARG A 58 -6.012 12.326 -6.187 1.00 43.00 H new ATOM 0 HG2 ARG A 58 -8.533 11.291 -7.261 1.00 42.42 H new ATOM 0 HG3 ARG A 58 -8.775 12.738 -6.304 1.00 42.42 H new ATOM 0 HD2 ARG A 58 -6.843 13.791 -7.614 1.00 23.51 H new ATOM 0 HD3 ARG A 58 -6.905 12.396 -8.673 1.00 23.51 H new ATOM 0 HE ARG A 58 -9.280 13.048 -9.207 1.00 23.14 H new ATOM 0 HH11 ARG A 58 -7.129 15.418 -7.709 1.00 61.04 H new ATOM 0 HH12 ARG A 58 -7.942 16.800 -8.451 1.00 61.04 H new ATOM 0 HH21 ARG A 58 -10.316 14.828 -10.165 1.00 64.02 H new ATOM 0 HH22 ARG A 58 -9.741 16.466 -9.837 1.00 64.02 H new ATOM 983 N ASP A 59 -5.103 10.165 -7.937 1.00 70.10 N ATOM 984 CA ASP A 59 -4.708 9.758 -9.285 1.00 20.22 C ATOM 985 C ASP A 59 -4.377 8.270 -9.327 1.00 25.44 C ATOM 986 O ASP A 59 -4.697 7.576 -10.290 1.00 42.13 O ATOM 987 CB ASP A 59 -3.501 10.570 -9.760 1.00 22.23 C ATOM 988 CG ASP A 59 -2.952 10.080 -11.090 1.00 73.02 C ATOM 989 OD1 ASP A 59 -3.616 10.292 -12.131 1.00 31.22 O ATOM 990 OD2 ASP A 59 -1.843 9.495 -11.103 1.00 42.41 O ATOM 0 H ASP A 59 -4.413 10.734 -7.447 1.00 70.10 H new ATOM 0 HA ASP A 59 -5.549 9.949 -9.952 1.00 20.22 H new ATOM 0 HB2 ASP A 59 -3.787 11.618 -9.853 1.00 22.23 H new ATOM 0 HB3 ASP A 59 -2.715 10.520 -9.006 1.00 22.23 H new ATOM 995 N TYR A 60 -3.763 7.787 -8.259 1.00 75.22 N ATOM 996 CA TYR A 60 -3.296 6.411 -8.189 1.00 75.33 C ATOM 997 C TYR A 60 -4.466 5.441 -8.122 1.00 34.43 C ATOM 998 O TYR A 60 -4.370 4.306 -8.588 1.00 70.14 O ATOM 999 CB TYR A 60 -2.390 6.226 -6.974 1.00 63.22 C ATOM 1000 CG TYR A 60 -1.433 5.070 -7.113 1.00 74.05 C ATOM 1001 CD1 TYR A 60 -0.530 5.032 -8.164 1.00 13.01 C ATOM 1002 CD2 TYR A 60 -1.422 4.028 -6.198 1.00 42.42 C ATOM 1003 CE1 TYR A 60 0.355 3.986 -8.303 1.00 23.43 C ATOM 1004 CE2 TYR A 60 -0.537 2.977 -6.331 1.00 13.12 C ATOM 1005 CZ TYR A 60 0.348 2.963 -7.386 1.00 63.42 C ATOM 1006 OH TYR A 60 1.231 1.920 -7.526 1.00 74.11 O ATOM 0 H TYR A 60 -3.575 8.335 -7.419 1.00 75.22 H new ATOM 0 HA TYR A 60 -2.728 6.197 -9.094 1.00 75.33 H new ATOM 0 HB2 TYR A 60 -1.821 7.142 -6.811 1.00 63.22 H new ATOM 0 HB3 TYR A 60 -3.008 6.073 -6.089 1.00 63.22 H new ATOM 0 HD1 TYR A 60 -0.520 5.836 -8.885 1.00 13.01 H new ATOM 0 HD2 TYR A 60 -2.115 4.039 -5.370 1.00 42.42 H new ATOM 0 HE1 TYR A 60 1.051 3.970 -9.129 1.00 23.43 H new ATOM 0 HE2 TYR A 60 -0.539 2.171 -5.612 1.00 13.12 H new ATOM 0 HH TYR A 60 2.005 2.215 -8.050 1.00 74.11 H new ATOM 1016 N LEU A 61 -5.565 5.888 -7.533 1.00 2.24 N ATOM 1017 CA LEU A 61 -6.792 5.110 -7.510 1.00 21.13 C ATOM 1018 C LEU A 61 -7.301 4.899 -8.929 1.00 31.31 C ATOM 1019 O LEU A 61 -7.618 3.779 -9.334 1.00 13.05 O ATOM 1020 CB LEU A 61 -7.848 5.829 -6.672 1.00 31.31 C ATOM 1021 CG LEU A 61 -9.239 5.195 -6.680 1.00 40.54 C ATOM 1022 CD1 LEU A 61 -9.198 3.789 -6.103 1.00 32.42 C ATOM 1023 CD2 LEU A 61 -10.218 6.060 -5.904 1.00 71.12 C ATOM 0 H LEU A 61 -5.631 6.791 -7.063 1.00 2.24 H new ATOM 0 HA LEU A 61 -6.589 4.137 -7.062 1.00 21.13 H new ATOM 0 HB2 LEU A 61 -7.497 5.879 -5.641 1.00 31.31 H new ATOM 0 HB3 LEU A 61 -7.934 6.855 -7.030 1.00 31.31 H new ATOM 0 HG LEU A 61 -9.577 5.127 -7.714 1.00 40.54 H new ATOM 0 HD11 LEU A 61 -10.200 3.360 -6.120 1.00 32.42 H new ATOM 0 HD12 LEU A 61 -8.528 3.170 -6.700 1.00 32.42 H new ATOM 0 HD13 LEU A 61 -8.837 3.828 -5.075 1.00 32.42 H new ATOM 0 HD21 LEU A 61 -11.204 5.596 -5.918 1.00 71.12 H new ATOM 0 HD22 LEU A 61 -9.878 6.159 -4.873 1.00 71.12 H new ATOM 0 HD23 LEU A 61 -10.275 7.047 -6.363 1.00 71.12 H new ATOM 1035 N ILE A 62 -7.359 5.989 -9.680 1.00 62.21 N ATOM 1036 CA ILE A 62 -7.742 5.938 -11.086 1.00 1.32 C ATOM 1037 C ILE A 62 -6.742 5.094 -11.872 1.00 52.33 C ATOM 1038 O ILE A 62 -7.125 4.251 -12.682 1.00 1.43 O ATOM 1039 CB ILE A 62 -7.811 7.352 -11.703 1.00 63.05 C ATOM 1040 CG1 ILE A 62 -8.723 8.254 -10.869 1.00 32.02 C ATOM 1041 CG2 ILE A 62 -8.307 7.282 -13.142 1.00 10.41 C ATOM 1042 CD1 ILE A 62 -8.746 9.690 -11.341 1.00 11.11 C ATOM 0 H ILE A 62 -7.145 6.926 -9.338 1.00 62.21 H new ATOM 0 HA ILE A 62 -8.733 5.487 -11.143 1.00 1.32 H new ATOM 0 HB ILE A 62 -6.808 7.778 -11.703 1.00 63.05 H new ATOM 0 HG12 ILE A 62 -9.737 7.855 -10.895 1.00 32.02 H new ATOM 0 HG13 ILE A 62 -8.396 8.227 -9.830 1.00 32.02 H new ATOM 0 HG21 ILE A 62 -8.350 8.287 -13.561 1.00 10.41 H new ATOM 0 HG22 ILE A 62 -7.625 6.671 -13.733 1.00 10.41 H new ATOM 0 HG23 ILE A 62 -9.302 6.838 -13.163 1.00 10.41 H new ATOM 0 HD11 ILE A 62 -9.413 10.272 -10.704 1.00 11.11 H new ATOM 0 HD12 ILE A 62 -7.740 10.106 -11.289 1.00 11.11 H new ATOM 0 HD13 ILE A 62 -9.102 9.729 -12.370 1.00 11.11 H new ATOM 1054 N TYR A 63 -5.460 5.323 -11.610 1.00 64.25 N ATOM 1055 CA TYR A 63 -4.382 4.560 -12.229 1.00 64.04 C ATOM 1056 C TYR A 63 -4.562 3.064 -11.984 1.00 12.41 C ATOM 1057 O TYR A 63 -4.344 2.245 -12.876 1.00 53.23 O ATOM 1058 CB TYR A 63 -3.034 5.031 -11.672 1.00 74.51 C ATOM 1059 CG TYR A 63 -1.843 4.234 -12.163 1.00 50.41 C ATOM 1060 CD1 TYR A 63 -1.337 4.424 -13.441 1.00 14.41 C ATOM 1061 CD2 TYR A 63 -1.222 3.296 -11.346 1.00 52.41 C ATOM 1062 CE1 TYR A 63 -0.248 3.701 -13.891 1.00 22.44 C ATOM 1063 CE2 TYR A 63 -0.132 2.571 -11.788 1.00 12.22 C ATOM 1064 CZ TYR A 63 0.351 2.778 -13.062 1.00 12.31 C ATOM 1065 OH TYR A 63 1.435 2.053 -13.507 1.00 34.35 O ATOM 0 H TYR A 63 -5.139 6.043 -10.963 1.00 64.25 H new ATOM 0 HA TYR A 63 -4.408 4.730 -13.305 1.00 64.04 H new ATOM 0 HB2 TYR A 63 -2.890 6.078 -11.938 1.00 74.51 H new ATOM 0 HB3 TYR A 63 -3.066 4.980 -10.584 1.00 74.51 H new ATOM 0 HD1 TYR A 63 -1.801 5.148 -14.094 1.00 14.41 H new ATOM 0 HD2 TYR A 63 -1.599 3.131 -10.347 1.00 52.41 H new ATOM 0 HE1 TYR A 63 0.132 3.859 -14.889 1.00 22.44 H new ATOM 0 HE2 TYR A 63 0.338 1.847 -11.139 1.00 12.22 H new ATOM 0 HH TYR A 63 1.737 1.448 -12.798 1.00 34.35 H new ATOM 1075 N MET A 64 -4.971 2.719 -10.772 1.00 72.21 N ATOM 1076 CA MET A 64 -5.187 1.329 -10.400 1.00 71.31 C ATOM 1077 C MET A 64 -6.330 0.735 -11.218 1.00 1.05 C ATOM 1078 O MET A 64 -6.206 -0.340 -11.805 1.00 63.43 O ATOM 1079 CB MET A 64 -5.530 1.234 -8.915 1.00 32.02 C ATOM 1080 CG MET A 64 -5.207 -0.113 -8.298 1.00 1.14 C ATOM 1081 SD MET A 64 -3.532 -0.169 -7.632 1.00 34.00 S ATOM 1082 CE MET A 64 -3.656 1.082 -6.354 1.00 41.21 C ATOM 0 H MET A 64 -5.161 3.387 -10.025 1.00 72.21 H new ATOM 0 HA MET A 64 -4.273 0.771 -10.600 1.00 71.31 H new ATOM 0 HB2 MET A 64 -4.987 2.010 -8.376 1.00 32.02 H new ATOM 0 HB3 MET A 64 -6.593 1.438 -8.783 1.00 32.02 H new ATOM 0 HG2 MET A 64 -5.921 -0.327 -7.502 1.00 1.14 H new ATOM 0 HG3 MET A 64 -5.324 -0.893 -9.050 1.00 1.14 H new ATOM 0 HE1 MET A 64 -2.938 0.866 -5.563 1.00 41.21 H new ATOM 0 HE2 MET A 64 -3.441 2.061 -6.781 1.00 41.21 H new ATOM 0 HE3 MET A 64 -4.664 1.080 -5.940 1.00 41.21 H new ATOM 1092 N LYS A 65 -7.442 1.456 -11.250 1.00 2.41 N ATOM 1093 CA LYS A 65 -8.638 1.019 -11.964 1.00 4.53 C ATOM 1094 C LYS A 65 -8.364 0.912 -13.468 1.00 73.34 C ATOM 1095 O LYS A 65 -8.814 -0.027 -14.128 1.00 0.44 O ATOM 1096 CB LYS A 65 -9.783 2.008 -11.691 1.00 24.03 C ATOM 1097 CG LYS A 65 -11.169 1.373 -11.654 1.00 33.25 C ATOM 1098 CD LYS A 65 -11.629 0.907 -13.023 1.00 11.22 C ATOM 1099 CE LYS A 65 -12.927 0.124 -12.934 1.00 54.13 C ATOM 1100 NZ LYS A 65 -13.405 -0.312 -14.272 1.00 51.12 N ATOM 0 H LYS A 65 -7.543 2.358 -10.784 1.00 2.41 H new ATOM 0 HA LYS A 65 -8.925 0.030 -11.607 1.00 4.53 H new ATOM 0 HB2 LYS A 65 -9.599 2.504 -10.738 1.00 24.03 H new ATOM 0 HB3 LYS A 65 -9.771 2.780 -12.460 1.00 24.03 H new ATOM 0 HG2 LYS A 65 -11.159 0.525 -10.969 1.00 33.25 H new ATOM 0 HG3 LYS A 65 -11.885 2.093 -11.259 1.00 33.25 H new ATOM 0 HD2 LYS A 65 -11.766 1.769 -13.675 1.00 11.22 H new ATOM 0 HD3 LYS A 65 -10.857 0.285 -13.476 1.00 11.22 H new ATOM 0 HE2 LYS A 65 -12.781 -0.749 -12.298 1.00 54.13 H new ATOM 0 HE3 LYS A 65 -13.691 0.740 -12.459 1.00 54.13 H new ATOM 0 HZ1 LYS A 65 -14.293 -0.843 -14.167 1.00 51.12 H new ATOM 0 HZ2 LYS A 65 -13.569 0.522 -14.871 1.00 51.12 H new ATOM 0 HZ3 LYS A 65 -12.688 -0.921 -14.715 1.00 51.12 H new ATOM 1114 N LYS A 66 -7.613 1.868 -13.999 1.00 11.34 N ATOM 1115 CA LYS A 66 -7.322 1.923 -15.427 1.00 30.34 C ATOM 1116 C LYS A 66 -6.226 0.938 -15.834 1.00 42.55 C ATOM 1117 O LYS A 66 -6.475 -0.012 -16.577 1.00 2.35 O ATOM 1118 CB LYS A 66 -6.886 3.338 -15.813 1.00 63.52 C ATOM 1119 CG LYS A 66 -8.003 4.368 -15.773 1.00 3.23 C ATOM 1120 CD LYS A 66 -8.964 4.192 -16.934 1.00 32.30 C ATOM 1121 CE LYS A 66 -9.989 5.315 -16.983 1.00 73.41 C ATOM 1122 NZ LYS A 66 -10.811 5.256 -18.218 1.00 52.33 N ATOM 0 H LYS A 66 -7.191 2.622 -13.457 1.00 11.34 H new ATOM 0 HA LYS A 66 -8.236 1.646 -15.952 1.00 30.34 H new ATOM 0 HB2 LYS A 66 -6.089 3.656 -15.141 1.00 63.52 H new ATOM 0 HB3 LYS A 66 -6.465 3.315 -16.818 1.00 63.52 H new ATOM 0 HG2 LYS A 66 -8.547 4.280 -14.833 1.00 3.23 H new ATOM 0 HG3 LYS A 66 -7.576 5.370 -15.802 1.00 3.23 H new ATOM 0 HD2 LYS A 66 -8.405 4.166 -17.870 1.00 32.30 H new ATOM 0 HD3 LYS A 66 -9.476 3.234 -16.842 1.00 32.30 H new ATOM 0 HE2 LYS A 66 -10.639 5.253 -16.110 1.00 73.41 H new ATOM 0 HE3 LYS A 66 -9.478 6.276 -16.932 1.00 73.41 H new ATOM 0 HZ1 LYS A 66 -11.498 6.037 -18.215 1.00 52.33 H new ATOM 0 HZ2 LYS A 66 -10.193 5.341 -19.050 1.00 52.33 H new ATOM 0 HZ3 LYS A 66 -11.318 4.349 -18.254 1.00 52.33 H new ATOM 1136 N THR A 67 -5.026 1.156 -15.320 1.00 33.44 N ATOM 1137 CA THR A 67 -3.842 0.452 -15.794 1.00 0.14 C ATOM 1138 C THR A 67 -3.756 -0.969 -15.239 1.00 63.03 C ATOM 1139 O THR A 67 -3.363 -1.894 -15.951 1.00 43.45 O ATOM 1140 CB THR A 67 -2.573 1.244 -15.428 1.00 53.42 C ATOM 1141 OG1 THR A 67 -2.690 2.578 -15.941 1.00 44.23 O ATOM 1142 CG2 THR A 67 -1.319 0.588 -15.992 1.00 32.30 C ATOM 0 H THR A 67 -4.844 1.821 -14.568 1.00 33.44 H new ATOM 0 HA THR A 67 -3.921 0.373 -16.878 1.00 0.14 H new ATOM 0 HB THR A 67 -2.480 1.260 -14.342 1.00 53.42 H new ATOM 0 HG1 THR A 67 -2.186 3.194 -15.369 1.00 44.23 H new ATOM 0 HG21 THR A 67 -0.444 1.175 -15.713 1.00 32.30 H new ATOM 0 HG22 THR A 67 -1.223 -0.420 -15.589 1.00 32.30 H new ATOM 0 HG23 THR A 67 -1.391 0.539 -17.078 1.00 32.30 H new ATOM 1150 N LEU A 68 -4.134 -1.151 -13.980 1.00 73.55 N ATOM 1151 CA LEU A 68 -4.102 -2.476 -13.371 1.00 43.44 C ATOM 1152 C LEU A 68 -5.370 -3.243 -13.733 1.00 71.02 C ATOM 1153 O LEU A 68 -5.456 -4.456 -13.540 1.00 44.43 O ATOM 1154 CB LEU A 68 -3.967 -2.367 -11.847 1.00 23.04 C ATOM 1155 CG LEU A 68 -2.855 -3.215 -11.217 1.00 11.11 C ATOM 1156 CD1 LEU A 68 -2.836 -3.030 -9.710 1.00 2.25 C ATOM 1157 CD2 LEU A 68 -3.017 -4.686 -11.562 1.00 13.42 C ATOM 0 H LEU A 68 -4.463 -0.407 -13.365 1.00 73.55 H new ATOM 0 HA LEU A 68 -3.236 -3.016 -13.754 1.00 43.44 H new ATOM 0 HB2 LEU A 68 -3.792 -1.322 -11.590 1.00 23.04 H new ATOM 0 HB3 LEU A 68 -4.917 -2.652 -11.395 1.00 23.04 H new ATOM 0 HG LEU A 68 -1.905 -2.875 -11.628 1.00 11.11 H new ATOM 0 HD11 LEU A 68 -2.041 -3.639 -9.279 1.00 2.25 H new ATOM 0 HD12 LEU A 68 -2.658 -1.981 -9.474 1.00 2.25 H new ATOM 0 HD13 LEU A 68 -3.795 -3.338 -9.294 1.00 2.25 H new ATOM 0 HD21 LEU A 68 -2.213 -5.259 -11.100 1.00 13.42 H new ATOM 0 HD22 LEU A 68 -3.977 -5.043 -11.190 1.00 13.42 H new ATOM 0 HD23 LEU A 68 -2.977 -4.812 -12.644 1.00 13.42 H new ATOM 1169 N CYS A 69 -6.355 -2.515 -14.258 1.00 3.42 N ATOM 1170 CA CYS A 69 -7.634 -3.095 -14.655 1.00 41.41 C ATOM 1171 C CYS A 69 -8.320 -3.733 -13.443 1.00 0.32 C ATOM 1172 O CYS A 69 -8.949 -4.787 -13.540 1.00 32.02 O ATOM 1173 CB CYS A 69 -7.424 -4.122 -15.780 1.00 0.12 C ATOM 1174 SG CYS A 69 -8.945 -4.653 -16.603 1.00 2.44 S ATOM 0 H CYS A 69 -6.288 -1.510 -14.419 1.00 3.42 H new ATOM 0 HA CYS A 69 -8.283 -2.306 -15.036 1.00 41.41 H new ATOM 0 HB2 CYS A 69 -6.753 -3.694 -16.525 1.00 0.12 H new ATOM 0 HB3 CYS A 69 -6.924 -4.998 -15.367 1.00 0.12 H new ATOM 0 HG CYS A 69 -9.831 -4.978 -15.709 1.00 2.44 H new ATOM 1180 N ASN A 70 -8.186 -3.082 -12.295 1.00 72.14 N ATOM 1181 CA ASN A 70 -8.814 -3.555 -11.066 1.00 61.11 C ATOM 1182 C ASN A 70 -10.075 -2.754 -10.775 1.00 53.55 C ATOM 1183 O ASN A 70 -10.222 -1.629 -11.245 1.00 4.33 O ATOM 1184 CB ASN A 70 -7.854 -3.434 -9.875 1.00 65.33 C ATOM 1185 CG ASN A 70 -6.839 -4.562 -9.790 1.00 72.43 C ATOM 1186 OD1 ASN A 70 -6.404 -5.079 -10.928 1.00 24.12 O flip ATOM 1187 ND2 ASN A 70 -6.445 -4.970 -8.700 1.00 3.21 N flip ATOM 0 H ASN A 70 -7.647 -2.223 -12.188 1.00 72.14 H new ATOM 0 HA ASN A 70 -9.071 -4.605 -11.207 1.00 61.11 H new ATOM 0 HB2 ASN A 70 -7.323 -2.484 -9.943 1.00 65.33 H new ATOM 0 HB3 ASN A 70 -8.435 -3.410 -8.953 1.00 65.33 H new ATOM 0 HD21 ASN A 70 -6.799 -4.551 -7.840 1.00 3.21 H new ATOM 0 HD22 ASN A 70 -5.764 -5.728 -8.655 1.00 3.21 H new ATOM 1194 N ALA A 71 -10.986 -3.344 -10.015 1.00 62.05 N ATOM 1195 CA ALA A 71 -12.181 -2.643 -9.569 1.00 4.11 C ATOM 1196 C ALA A 71 -11.853 -1.821 -8.330 1.00 44.02 C ATOM 1197 O ALA A 71 -10.783 -1.993 -7.744 1.00 34.41 O ATOM 1198 CB ALA A 71 -13.303 -3.629 -9.282 1.00 75.03 C ATOM 0 H ALA A 71 -10.920 -4.310 -9.693 1.00 62.05 H new ATOM 0 HA ALA A 71 -12.520 -1.973 -10.359 1.00 4.11 H new ATOM 0 HB1 ALA A 71 -14.188 -3.086 -8.950 1.00 75.03 H new ATOM 0 HB2 ALA A 71 -13.538 -4.187 -10.189 1.00 75.03 H new ATOM 0 HB3 ALA A 71 -12.988 -4.322 -8.502 1.00 75.03 H new ATOM 1204 N ASP A 72 -12.766 -0.950 -7.917 1.00 51.03 N ATOM 1205 CA ASP A 72 -12.497 -0.056 -6.791 1.00 61.22 C ATOM 1206 C ASP A 72 -12.315 -0.860 -5.510 1.00 13.10 C ATOM 1207 O ASP A 72 -11.531 -0.486 -4.647 1.00 4.15 O ATOM 1208 CB ASP A 72 -13.614 0.986 -6.612 1.00 34.15 C ATOM 1209 CG ASP A 72 -14.596 0.634 -5.510 1.00 52.14 C ATOM 1210 OD1 ASP A 72 -15.501 -0.190 -5.751 1.00 32.01 O ATOM 1211 OD2 ASP A 72 -14.460 1.180 -4.394 1.00 43.15 O ATOM 0 H ASP A 72 -13.689 -0.842 -8.337 1.00 51.03 H new ATOM 0 HA ASP A 72 -11.575 0.482 -7.010 1.00 61.22 H new ATOM 0 HB2 ASP A 72 -13.165 1.955 -6.393 1.00 34.15 H new ATOM 0 HB3 ASP A 72 -14.156 1.091 -7.552 1.00 34.15 H new ATOM 1216 N SER A 73 -13.023 -1.977 -5.409 1.00 54.04 N ATOM 1217 CA SER A 73 -12.922 -2.844 -4.246 1.00 75.21 C ATOM 1218 C SER A 73 -11.483 -3.316 -4.049 1.00 52.33 C ATOM 1219 O SER A 73 -10.940 -3.261 -2.944 1.00 50.02 O ATOM 1220 CB SER A 73 -13.850 -4.041 -4.424 1.00 10.14 C ATOM 1221 OG SER A 73 -15.125 -3.624 -4.888 1.00 4.44 O ATOM 0 H SER A 73 -13.675 -2.304 -6.122 1.00 54.04 H new ATOM 0 HA SER A 73 -13.219 -2.284 -3.360 1.00 75.21 H new ATOM 0 HB2 SER A 73 -13.412 -4.744 -5.132 1.00 10.14 H new ATOM 0 HB3 SER A 73 -13.957 -4.568 -3.476 1.00 10.14 H new ATOM 0 HG SER A 73 -15.705 -4.406 -4.998 1.00 4.44 H new ATOM 1227 N THR A 74 -10.865 -3.759 -5.137 1.00 73.03 N ATOM 1228 CA THR A 74 -9.497 -4.245 -5.097 1.00 12.21 C ATOM 1229 C THR A 74 -8.513 -3.079 -5.033 1.00 22.20 C ATOM 1230 O THR A 74 -7.496 -3.148 -4.344 1.00 42.34 O ATOM 1231 CB THR A 74 -9.193 -5.109 -6.333 1.00 44.31 C ATOM 1232 OG1 THR A 74 -10.336 -5.917 -6.642 1.00 12.23 O ATOM 1233 CG2 THR A 74 -7.994 -6.005 -6.086 1.00 41.20 C ATOM 0 H THR A 74 -11.295 -3.790 -6.061 1.00 73.03 H new ATOM 0 HA THR A 74 -9.383 -4.855 -4.201 1.00 12.21 H new ATOM 0 HB THR A 74 -8.965 -4.449 -7.170 1.00 44.31 H new ATOM 0 HG1 THR A 74 -10.144 -6.467 -7.430 1.00 12.23 H new ATOM 0 HG21 THR A 74 -7.800 -6.606 -6.974 1.00 41.20 H new ATOM 0 HG22 THR A 74 -7.121 -5.391 -5.865 1.00 41.20 H new ATOM 0 HG23 THR A 74 -8.199 -6.663 -5.241 1.00 41.20 H new ATOM 1241 N ALA A 75 -8.839 -2.003 -5.742 1.00 33.10 N ATOM 1242 CA ALA A 75 -8.004 -0.809 -5.761 1.00 53.11 C ATOM 1243 C ALA A 75 -7.904 -0.189 -4.374 1.00 11.10 C ATOM 1244 O ALA A 75 -6.818 0.166 -3.921 1.00 63.15 O ATOM 1245 CB ALA A 75 -8.556 0.201 -6.757 1.00 31.02 C ATOM 0 H ALA A 75 -9.681 -1.935 -6.314 1.00 33.10 H new ATOM 0 HA ALA A 75 -7.000 -1.099 -6.072 1.00 53.11 H new ATOM 0 HB1 ALA A 75 -7.924 1.089 -6.763 1.00 31.02 H new ATOM 0 HB2 ALA A 75 -8.570 -0.241 -7.753 1.00 31.02 H new ATOM 0 HB3 ALA A 75 -9.570 0.479 -6.469 1.00 31.02 H new ATOM 1251 N GLN A 76 -9.040 -0.077 -3.697 1.00 51.13 N ATOM 1252 CA GLN A 76 -9.084 0.465 -2.357 1.00 24.40 C ATOM 1253 C GLN A 76 -8.338 -0.435 -1.383 1.00 10.34 C ATOM 1254 O GLN A 76 -7.680 0.049 -0.467 1.00 13.32 O ATOM 1255 CB GLN A 76 -10.535 0.638 -1.919 1.00 63.24 C ATOM 1256 CG GLN A 76 -11.229 1.830 -2.563 1.00 2.30 C ATOM 1257 CD GLN A 76 -10.672 3.159 -2.084 1.00 74.23 C ATOM 1258 OE1 GLN A 76 -10.181 3.272 -0.961 1.00 63.24 O ATOM 1259 NE2 GLN A 76 -10.757 4.177 -2.926 1.00 34.14 N ATOM 0 H GLN A 76 -9.949 -0.359 -4.064 1.00 51.13 H new ATOM 0 HA GLN A 76 -8.593 1.438 -2.358 1.00 24.40 H new ATOM 0 HB2 GLN A 76 -11.089 -0.269 -2.161 1.00 63.24 H new ATOM 0 HB3 GLN A 76 -10.567 0.751 -0.835 1.00 63.24 H new ATOM 0 HG2 GLN A 76 -11.124 1.765 -3.646 1.00 2.30 H new ATOM 0 HG3 GLN A 76 -12.296 1.787 -2.343 1.00 2.30 H new ATOM 0 HE21 GLN A 76 -11.171 4.043 -3.848 1.00 34.14 H new ATOM 0 HE22 GLN A 76 -10.408 5.096 -2.652 1.00 34.14 H new ATOM 1268 N ARG A 77 -8.435 -1.745 -1.586 1.00 14.31 N ATOM 1269 CA ARG A 77 -7.718 -2.691 -0.744 1.00 50.43 C ATOM 1270 C ARG A 77 -6.218 -2.577 -0.987 1.00 44.24 C ATOM 1271 O ARG A 77 -5.422 -2.635 -0.051 1.00 22.30 O ATOM 1272 CB ARG A 77 -8.184 -4.123 -1.004 1.00 51.43 C ATOM 1273 CG ARG A 77 -7.603 -5.122 -0.021 1.00 43.13 C ATOM 1274 CD ARG A 77 -8.033 -6.544 -0.331 1.00 41.14 C ATOM 1275 NE ARG A 77 -7.590 -7.479 0.706 1.00 43.25 N ATOM 1276 CZ ARG A 77 -7.846 -8.787 0.698 1.00 15.41 C ATOM 1277 NH1 ARG A 77 -8.490 -9.343 -0.319 1.00 2.40 N ATOM 1278 NH2 ARG A 77 -7.438 -9.545 1.707 1.00 4.11 N ATOM 0 H ARG A 77 -8.999 -2.172 -2.321 1.00 14.31 H new ATOM 0 HA ARG A 77 -7.932 -2.448 0.297 1.00 50.43 H new ATOM 0 HB2 ARG A 77 -9.272 -4.161 -0.952 1.00 51.43 H new ATOM 0 HB3 ARG A 77 -7.903 -4.413 -2.017 1.00 51.43 H new ATOM 0 HG2 ARG A 77 -6.515 -5.060 -0.042 1.00 43.13 H new ATOM 0 HG3 ARG A 77 -7.918 -4.861 0.989 1.00 43.13 H new ATOM 0 HD2 ARG A 77 -9.119 -6.585 -0.419 1.00 41.14 H new ATOM 0 HD3 ARG A 77 -7.623 -6.847 -1.294 1.00 41.14 H new ATOM 0 HE ARG A 77 -7.050 -7.104 1.486 1.00 43.25 H new ATOM 0 HH11 ARG A 77 -8.794 -8.769 -1.105 1.00 2.40 H new ATOM 0 HH12 ARG A 77 -8.681 -10.345 -0.315 1.00 2.40 H new ATOM 0 HH21 ARG A 77 -6.930 -9.127 2.486 1.00 4.11 H new ATOM 0 HH22 ARG A 77 -7.632 -10.546 1.704 1.00 4.11 H new ATOM 1292 N ASN A 78 -5.843 -2.403 -2.249 1.00 53.04 N ATOM 1293 CA ASN A 78 -4.446 -2.217 -2.621 1.00 33.54 C ATOM 1294 C ASN A 78 -3.901 -0.945 -1.982 1.00 52.22 C ATOM 1295 O ASN A 78 -2.799 -0.929 -1.435 1.00 65.11 O ATOM 1296 CB ASN A 78 -4.305 -2.148 -4.146 1.00 42.50 C ATOM 1297 CG ASN A 78 -2.879 -2.367 -4.612 1.00 2.55 C ATOM 1298 OD1 ASN A 78 -2.102 -1.425 -4.777 1.00 25.04 O ATOM 1299 ND2 ASN A 78 -2.526 -3.622 -4.834 1.00 21.53 N ATOM 0 H ASN A 78 -6.492 -2.387 -3.036 1.00 53.04 H new ATOM 0 HA ASN A 78 -3.870 -3.068 -2.258 1.00 33.54 H new ATOM 0 HB2 ASN A 78 -4.951 -2.899 -4.601 1.00 42.50 H new ATOM 0 HB3 ASN A 78 -4.652 -1.175 -4.495 1.00 42.50 H new ATOM 0 HD21 ASN A 78 -1.582 -3.837 -5.153 1.00 21.53 H new ATOM 0 HD22 ASN A 78 -3.198 -4.375 -4.686 1.00 21.53 H new ATOM 1306 N LEU A 79 -4.697 0.115 -2.031 1.00 54.24 N ATOM 1307 CA LEU A 79 -4.336 1.372 -1.388 1.00 15.02 C ATOM 1308 C LEU A 79 -4.294 1.211 0.130 1.00 64.00 C ATOM 1309 O LEU A 79 -3.527 1.885 0.813 1.00 63.34 O ATOM 1310 CB LEU A 79 -5.320 2.480 -1.776 1.00 24.12 C ATOM 1311 CG LEU A 79 -5.233 2.951 -3.232 1.00 24.43 C ATOM 1312 CD1 LEU A 79 -6.277 4.020 -3.510 1.00 62.21 C ATOM 1313 CD2 LEU A 79 -3.838 3.474 -3.541 1.00 3.44 C ATOM 0 H LEU A 79 -5.598 0.130 -2.510 1.00 54.24 H new ATOM 0 HA LEU A 79 -3.341 1.654 -1.733 1.00 15.02 H new ATOM 0 HB2 LEU A 79 -6.333 2.127 -1.585 1.00 24.12 H new ATOM 0 HB3 LEU A 79 -5.153 3.337 -1.123 1.00 24.12 H new ATOM 0 HG LEU A 79 -5.432 2.099 -3.882 1.00 24.43 H new ATOM 0 HD11 LEU A 79 -6.200 4.342 -4.548 1.00 62.21 H new ATOM 0 HD12 LEU A 79 -7.272 3.613 -3.329 1.00 62.21 H new ATOM 0 HD13 LEU A 79 -6.109 4.873 -2.852 1.00 62.21 H new ATOM 0 HD21 LEU A 79 -3.795 3.804 -4.579 1.00 3.44 H new ATOM 0 HD22 LEU A 79 -3.610 4.313 -2.884 1.00 3.44 H new ATOM 0 HD23 LEU A 79 -3.108 2.680 -3.382 1.00 3.44 H new ATOM 1325 N SER A 80 -5.117 0.311 0.654 1.00 24.32 N ATOM 1326 CA SER A 80 -5.114 0.021 2.081 1.00 74.21 C ATOM 1327 C SER A 80 -3.827 -0.694 2.489 1.00 64.14 C ATOM 1328 O SER A 80 -3.268 -0.415 3.548 1.00 72.34 O ATOM 1329 CB SER A 80 -6.329 -0.823 2.463 1.00 75.22 C ATOM 1330 OG SER A 80 -7.538 -0.138 2.177 1.00 54.24 O ATOM 0 H SER A 80 -5.793 -0.229 0.113 1.00 24.32 H new ATOM 0 HA SER A 80 -5.166 0.969 2.616 1.00 74.21 H new ATOM 0 HB2 SER A 80 -6.305 -1.767 1.919 1.00 75.22 H new ATOM 0 HB3 SER A 80 -6.288 -1.066 3.525 1.00 75.22 H new ATOM 0 HG SER A 80 -7.810 -0.326 1.255 1.00 54.24 H new ATOM 1336 N THR A 81 -3.347 -1.611 1.651 1.00 54.13 N ATOM 1337 CA THR A 81 -2.082 -2.283 1.925 1.00 35.24 C ATOM 1338 C THR A 81 -0.916 -1.312 1.768 1.00 75.21 C ATOM 1339 O THR A 81 0.131 -1.474 2.392 1.00 64.24 O ATOM 1340 CB THR A 81 -1.874 -3.526 1.034 1.00 52.50 C ATOM 1341 OG1 THR A 81 -2.293 -3.265 -0.311 1.00 12.12 O ATOM 1342 CG2 THR A 81 -2.646 -4.716 1.581 1.00 44.42 C ATOM 0 H THR A 81 -3.808 -1.902 0.789 1.00 54.13 H new ATOM 0 HA THR A 81 -2.120 -2.630 2.958 1.00 35.24 H new ATOM 0 HB THR A 81 -0.809 -3.759 1.036 1.00 52.50 H new ATOM 0 HG1 THR A 81 -2.204 -2.308 -0.501 1.00 12.12 H new ATOM 0 HG21 THR A 81 -2.485 -5.581 0.938 1.00 44.42 H new ATOM 0 HG22 THR A 81 -2.298 -4.943 2.589 1.00 44.42 H new ATOM 0 HG23 THR A 81 -3.709 -4.478 1.610 1.00 44.42 H new ATOM 1350 N ILE A 82 -1.112 -0.291 0.943 1.00 64.43 N ATOM 1351 CA ILE A 82 -0.150 0.792 0.824 1.00 11.20 C ATOM 1352 C ILE A 82 -0.211 1.672 2.071 1.00 44.45 C ATOM 1353 O ILE A 82 0.813 2.132 2.576 1.00 22.25 O ATOM 1354 CB ILE A 82 -0.414 1.643 -0.444 1.00 61.33 C ATOM 1355 CG1 ILE A 82 -0.202 0.794 -1.703 1.00 43.43 C ATOM 1356 CG2 ILE A 82 0.482 2.874 -0.474 1.00 5.23 C ATOM 1357 CD1 ILE A 82 -0.515 1.520 -2.996 1.00 21.45 C ATOM 0 H ILE A 82 -1.933 -0.192 0.345 1.00 64.43 H new ATOM 0 HA ILE A 82 0.846 0.358 0.733 1.00 11.20 H new ATOM 0 HB ILE A 82 -1.449 1.983 -0.418 1.00 61.33 H new ATOM 0 HG12 ILE A 82 0.834 0.455 -1.730 1.00 43.43 H new ATOM 0 HG13 ILE A 82 -0.827 -0.097 -1.638 1.00 43.43 H new ATOM 0 HG21 ILE A 82 0.275 3.453 -1.374 1.00 5.23 H new ATOM 0 HG22 ILE A 82 0.286 3.488 0.405 1.00 5.23 H new ATOM 0 HG23 ILE A 82 1.527 2.564 -0.474 1.00 5.23 H new ATOM 0 HD11 ILE A 82 -0.340 0.852 -3.840 1.00 21.45 H new ATOM 0 HD12 ILE A 82 -1.558 1.835 -2.993 1.00 21.45 H new ATOM 0 HD13 ILE A 82 0.128 2.395 -3.087 1.00 21.45 H new ATOM 1369 N LYS A 83 -1.419 1.878 2.582 1.00 35.53 N ATOM 1370 CA LYS A 83 -1.608 2.644 3.804 1.00 21.10 C ATOM 1371 C LYS A 83 -0.870 1.993 4.959 1.00 21.12 C ATOM 1372 O LYS A 83 -0.445 2.674 5.874 1.00 23.41 O ATOM 1373 CB LYS A 83 -3.087 2.779 4.161 1.00 20.10 C ATOM 1374 CG LYS A 83 -3.348 3.802 5.257 1.00 12.12 C ATOM 1375 CD LYS A 83 -4.770 3.707 5.770 1.00 52.22 C ATOM 1376 CE LYS A 83 -5.192 4.960 6.529 1.00 65.02 C ATOM 1377 NZ LYS A 83 -4.432 5.147 7.798 1.00 25.24 N ATOM 0 H LYS A 83 -2.281 1.524 2.168 1.00 35.53 H new ATOM 0 HA LYS A 83 -1.204 3.640 3.626 1.00 21.10 H new ATOM 0 HB2 LYS A 83 -3.645 3.062 3.269 1.00 20.10 H new ATOM 0 HB3 LYS A 83 -3.467 1.809 4.481 1.00 20.10 H new ATOM 0 HG2 LYS A 83 -2.651 3.643 6.080 1.00 12.12 H new ATOM 0 HG3 LYS A 83 -3.164 4.805 4.873 1.00 12.12 H new ATOM 0 HD2 LYS A 83 -5.447 3.547 4.931 1.00 52.22 H new ATOM 0 HD3 LYS A 83 -4.862 2.840 6.424 1.00 52.22 H new ATOM 0 HE2 LYS A 83 -5.047 5.832 5.891 1.00 65.02 H new ATOM 0 HE3 LYS A 83 -6.257 4.903 6.753 1.00 65.02 H new ATOM 0 HZ1 LYS A 83 -4.352 6.162 8.008 1.00 25.24 H new ATOM 0 HZ2 LYS A 83 -4.932 4.670 8.576 1.00 25.24 H new ATOM 0 HZ3 LYS A 83 -3.481 4.739 7.696 1.00 25.24 H new ATOM 1391 N ILE A 84 -0.724 0.676 4.915 1.00 61.52 N ATOM 1392 CA ILE A 84 -0.026 -0.046 5.971 1.00 2.24 C ATOM 1393 C ILE A 84 1.374 0.528 6.203 1.00 62.24 C ATOM 1394 O ILE A 84 1.741 0.830 7.339 1.00 71.02 O ATOM 1395 CB ILE A 84 0.080 -1.556 5.648 1.00 32.22 C ATOM 1396 CG1 ILE A 84 -1.313 -2.170 5.464 1.00 64.44 C ATOM 1397 CG2 ILE A 84 0.845 -2.292 6.741 1.00 12.33 C ATOM 1398 CD1 ILE A 84 -2.192 -2.086 6.695 1.00 30.25 C ATOM 0 H ILE A 84 -1.078 0.087 4.162 1.00 61.52 H new ATOM 0 HA ILE A 84 -0.613 0.076 6.881 1.00 2.24 H new ATOM 0 HB ILE A 84 0.631 -1.663 4.713 1.00 32.22 H new ATOM 0 HG12 ILE A 84 -1.814 -1.666 4.637 1.00 64.44 H new ATOM 0 HG13 ILE A 84 -1.203 -3.217 5.180 1.00 64.44 H new ATOM 0 HG21 ILE A 84 0.906 -3.351 6.492 1.00 12.33 H new ATOM 0 HG22 ILE A 84 1.851 -1.879 6.822 1.00 12.33 H new ATOM 0 HG23 ILE A 84 0.326 -2.173 7.692 1.00 12.33 H new ATOM 0 HD11 ILE A 84 -3.159 -2.542 6.483 1.00 30.25 H new ATOM 0 HD12 ILE A 84 -1.714 -2.615 7.520 1.00 30.25 H new ATOM 0 HD13 ILE A 84 -2.336 -1.041 6.969 1.00 30.25 H new ATOM 1410 N TYR A 85 2.147 0.705 5.131 1.00 65.31 N ATOM 1411 CA TYR A 85 3.505 1.205 5.272 1.00 5.54 C ATOM 1412 C TYR A 85 3.491 2.702 5.585 1.00 43.30 C ATOM 1413 O TYR A 85 4.341 3.199 6.323 1.00 0.22 O ATOM 1414 CB TYR A 85 4.350 0.884 4.022 1.00 12.40 C ATOM 1415 CG TYR A 85 4.460 1.986 2.983 1.00 21.55 C ATOM 1416 CD1 TYR A 85 5.432 2.976 3.094 1.00 75.32 C ATOM 1417 CD2 TYR A 85 3.616 2.024 1.883 1.00 31.44 C ATOM 1418 CE1 TYR A 85 5.551 3.973 2.144 1.00 54.42 C ATOM 1419 CE2 TYR A 85 3.731 3.014 0.926 1.00 43.23 C ATOM 1420 CZ TYR A 85 4.697 3.987 1.062 1.00 1.14 C ATOM 1421 OH TYR A 85 4.811 4.975 0.108 1.00 12.32 O ATOM 0 H TYR A 85 1.858 0.512 4.172 1.00 65.31 H new ATOM 0 HA TYR A 85 3.977 0.695 6.112 1.00 5.54 H new ATOM 0 HB2 TYR A 85 5.356 0.619 4.348 1.00 12.40 H new ATOM 0 HB3 TYR A 85 3.928 0.001 3.541 1.00 12.40 H new ATOM 0 HD1 TYR A 85 6.106 2.965 3.938 1.00 75.32 H new ATOM 0 HD2 TYR A 85 2.855 1.266 1.772 1.00 31.44 H new ATOM 0 HE1 TYR A 85 6.308 4.736 2.249 1.00 54.42 H new ATOM 0 HE2 TYR A 85 3.066 3.025 0.075 1.00 43.23 H new ATOM 0 HH TYR A 85 4.134 4.838 -0.587 1.00 12.32 H new ATOM 1431 N VAL A 86 2.504 3.410 5.040 1.00 12.35 N ATOM 1432 CA VAL A 86 2.348 4.840 5.297 1.00 51.32 C ATOM 1433 C VAL A 86 1.966 5.081 6.756 1.00 64.32 C ATOM 1434 O VAL A 86 2.548 5.924 7.437 1.00 73.31 O ATOM 1435 CB VAL A 86 1.274 5.464 4.376 1.00 1.24 C ATOM 1436 CG1 VAL A 86 1.069 6.938 4.698 1.00 60.31 C ATOM 1437 CG2 VAL A 86 1.656 5.288 2.917 1.00 52.31 C ATOM 0 H VAL A 86 1.799 3.016 4.417 1.00 12.35 H new ATOM 0 HA VAL A 86 3.305 5.317 5.087 1.00 51.32 H new ATOM 0 HB VAL A 86 0.333 4.944 4.554 1.00 1.24 H new ATOM 0 HG11 VAL A 86 0.309 7.353 4.036 1.00 60.31 H new ATOM 0 HG12 VAL A 86 0.745 7.043 5.733 1.00 60.31 H new ATOM 0 HG13 VAL A 86 2.007 7.475 4.555 1.00 60.31 H new ATOM 0 HG21 VAL A 86 0.889 5.733 2.284 1.00 52.31 H new ATOM 0 HG22 VAL A 86 2.611 5.779 2.729 1.00 52.31 H new ATOM 0 HG23 VAL A 86 1.743 4.226 2.689 1.00 52.31 H new ATOM 1447 N SER A 87 0.994 4.314 7.221 1.00 40.23 N ATOM 1448 CA SER A 87 0.519 4.387 8.590 1.00 32.11 C ATOM 1449 C SER A 87 1.619 3.985 9.574 1.00 73.42 C ATOM 1450 O SER A 87 1.740 4.567 10.654 1.00 3.04 O ATOM 1451 CB SER A 87 -0.720 3.497 8.743 1.00 71.21 C ATOM 1452 OG SER A 87 -1.917 4.256 8.680 1.00 23.24 O ATOM 0 H SER A 87 0.510 3.618 6.654 1.00 40.23 H new ATOM 0 HA SER A 87 0.244 5.416 8.821 1.00 32.11 H new ATOM 0 HB2 SER A 87 -0.726 2.741 7.958 1.00 71.21 H new ATOM 0 HB3 SER A 87 -0.673 2.967 9.695 1.00 71.21 H new ATOM 0 HG SER A 87 -2.659 3.728 9.042 1.00 23.24 H new ATOM 1458 N ALA A 88 2.431 3.002 9.192 1.00 34.42 N ATOM 1459 CA ALA A 88 3.584 2.615 9.994 1.00 45.11 C ATOM 1460 C ALA A 88 4.603 3.749 10.029 1.00 72.12 C ATOM 1461 O ALA A 88 5.209 4.032 11.065 1.00 61.53 O ATOM 1462 CB ALA A 88 4.214 1.344 9.442 1.00 44.54 C ATOM 0 H ALA A 88 2.311 2.462 8.335 1.00 34.42 H new ATOM 0 HA ALA A 88 3.251 2.416 11.013 1.00 45.11 H new ATOM 0 HB1 ALA A 88 5.074 1.069 10.053 1.00 44.54 H new ATOM 0 HB2 ALA A 88 3.482 0.537 9.462 1.00 44.54 H new ATOM 0 HB3 ALA A 88 4.538 1.515 8.415 1.00 44.54 H new ATOM 1468 N ALA A 89 4.765 4.412 8.889 1.00 21.00 N ATOM 1469 CA ALA A 89 5.681 5.538 8.771 1.00 13.35 C ATOM 1470 C ALA A 89 5.217 6.716 9.609 1.00 43.23 C ATOM 1471 O ALA A 89 6.025 7.558 9.999 1.00 73.12 O ATOM 1472 CB ALA A 89 5.846 5.945 7.316 1.00 12.00 C ATOM 0 H ALA A 89 4.269 4.185 8.027 1.00 21.00 H new ATOM 0 HA ALA A 89 6.651 5.220 9.152 1.00 13.35 H new ATOM 0 HB1 ALA A 89 6.534 6.788 7.250 1.00 12.00 H new ATOM 0 HB2 ALA A 89 6.244 5.105 6.746 1.00 12.00 H new ATOM 0 HB3 ALA A 89 4.878 6.234 6.907 1.00 12.00 H new ATOM 1478 N ILE A 90 3.924 6.782 9.883 1.00 24.02 N ATOM 1479 CA ILE A 90 3.399 7.822 10.749 1.00 51.50 C ATOM 1480 C ILE A 90 3.925 7.633 12.170 1.00 64.33 C ATOM 1481 O ILE A 90 4.388 8.583 12.807 1.00 43.54 O ATOM 1482 CB ILE A 90 1.854 7.837 10.765 1.00 55.34 C ATOM 1483 CG1 ILE A 90 1.309 8.069 9.354 1.00 32.05 C ATOM 1484 CG2 ILE A 90 1.338 8.910 11.718 1.00 15.01 C ATOM 1485 CD1 ILE A 90 -0.199 7.951 9.255 1.00 61.33 C ATOM 0 H ILE A 90 3.225 6.133 9.521 1.00 24.02 H new ATOM 0 HA ILE A 90 3.738 8.779 10.352 1.00 51.50 H new ATOM 0 HB ILE A 90 1.504 6.867 11.118 1.00 55.34 H new ATOM 0 HG12 ILE A 90 1.610 9.061 9.017 1.00 32.05 H new ATOM 0 HG13 ILE A 90 1.766 7.349 8.675 1.00 32.05 H new ATOM 0 HG21 ILE A 90 0.248 8.905 11.716 1.00 15.01 H new ATOM 0 HG22 ILE A 90 1.700 8.706 12.726 1.00 15.01 H new ATOM 0 HG23 ILE A 90 1.697 9.887 11.395 1.00 15.01 H new ATOM 0 HD11 ILE A 90 -0.511 8.128 8.226 1.00 61.33 H new ATOM 0 HD12 ILE A 90 -0.507 6.951 9.560 1.00 61.33 H new ATOM 0 HD13 ILE A 90 -0.665 8.689 9.908 1.00 61.33 H new ATOM 1497 N LYS A 91 3.874 6.395 12.649 1.00 45.23 N ATOM 1498 CA LYS A 91 4.407 6.058 13.967 1.00 71.30 C ATOM 1499 C LYS A 91 5.927 6.168 13.986 1.00 75.21 C ATOM 1500 O LYS A 91 6.521 6.506 15.009 1.00 71.34 O ATOM 1501 CB LYS A 91 3.978 4.650 14.377 1.00 71.01 C ATOM 1502 CG LYS A 91 2.624 4.603 15.065 1.00 71.51 C ATOM 1503 CD LYS A 91 2.663 5.313 16.411 1.00 22.25 C ATOM 1504 CE LYS A 91 1.389 5.087 17.209 1.00 32.15 C ATOM 1505 NZ LYS A 91 1.489 5.666 18.576 1.00 73.13 N ATOM 0 H LYS A 91 3.469 5.606 12.145 1.00 45.23 H new ATOM 0 HA LYS A 91 4.001 6.772 14.684 1.00 71.30 H new ATOM 0 HB2 LYS A 91 3.948 4.016 13.491 1.00 71.01 H new ATOM 0 HB3 LYS A 91 4.730 4.230 15.045 1.00 71.01 H new ATOM 0 HG2 LYS A 91 1.873 5.069 14.427 1.00 71.51 H new ATOM 0 HG3 LYS A 91 2.322 3.565 15.207 1.00 71.51 H new ATOM 0 HD2 LYS A 91 3.519 4.957 16.985 1.00 22.25 H new ATOM 0 HD3 LYS A 91 2.808 6.382 16.253 1.00 22.25 H new ATOM 0 HE2 LYS A 91 0.546 5.536 16.684 1.00 32.15 H new ATOM 0 HE3 LYS A 91 1.188 4.018 17.280 1.00 32.15 H new ATOM 0 HZ1 LYS A 91 0.603 5.493 19.092 1.00 73.13 H new ATOM 0 HZ2 LYS A 91 2.278 5.220 19.085 1.00 73.13 H new ATOM 0 HZ3 LYS A 91 1.656 6.690 18.508 1.00 73.13 H new ATOM 1519 N LYS A 92 6.545 5.879 12.852 1.00 21.15 N ATOM 1520 CA LYS A 92 7.990 6.012 12.710 1.00 22.11 C ATOM 1521 C LYS A 92 8.385 7.488 12.808 1.00 21.33 C ATOM 1522 O LYS A 92 9.430 7.834 13.359 1.00 30.41 O ATOM 1523 CB LYS A 92 8.438 5.409 11.365 1.00 62.33 C ATOM 1524 CG LYS A 92 9.926 5.069 11.272 1.00 41.40 C ATOM 1525 CD LYS A 92 10.791 6.301 11.055 1.00 12.31 C ATOM 1526 CE LYS A 92 12.267 5.939 10.998 1.00 71.20 C ATOM 1527 NZ LYS A 92 13.129 7.138 10.841 1.00 1.40 N ATOM 0 H LYS A 92 6.068 5.550 12.013 1.00 21.15 H new ATOM 0 HA LYS A 92 8.489 5.469 13.513 1.00 22.11 H new ATOM 0 HB2 LYS A 92 7.862 4.502 11.181 1.00 62.33 H new ATOM 0 HB3 LYS A 92 8.191 6.111 10.569 1.00 62.33 H new ATOM 0 HG2 LYS A 92 10.239 4.566 12.187 1.00 41.40 H new ATOM 0 HG3 LYS A 92 10.085 4.368 10.453 1.00 41.40 H new ATOM 0 HD2 LYS A 92 10.499 6.793 10.127 1.00 12.31 H new ATOM 0 HD3 LYS A 92 10.620 7.014 11.862 1.00 12.31 H new ATOM 0 HE2 LYS A 92 12.546 5.409 11.909 1.00 71.20 H new ATOM 0 HE3 LYS A 92 12.441 5.256 10.166 1.00 71.20 H new ATOM 0 HZ1 LYS A 92 14.127 6.846 10.807 1.00 1.40 H new ATOM 0 HZ2 LYS A 92 12.882 7.630 9.959 1.00 1.40 H new ATOM 0 HZ3 LYS A 92 12.983 7.778 11.647 1.00 1.40 H new ATOM 1541 N GLY A 93 7.529 8.356 12.285 1.00 70.12 N ATOM 1542 CA GLY A 93 7.809 9.778 12.302 1.00 22.11 C ATOM 1543 C GLY A 93 8.219 10.283 10.938 1.00 63.52 C ATOM 1544 O GLY A 93 8.702 11.406 10.796 1.00 52.35 O ATOM 0 H GLY A 93 6.644 8.100 11.848 1.00 70.12 H new ATOM 0 HA2 GLY A 93 6.925 10.319 12.640 1.00 22.11 H new ATOM 0 HA3 GLY A 93 8.603 9.984 13.020 1.00 22.11 H new ATOM 1548 N TYR A 94 8.024 9.446 9.933 1.00 2.51 N ATOM 1549 CA TYR A 94 8.360 9.798 8.564 1.00 22.45 C ATOM 1550 C TYR A 94 7.194 10.544 7.923 1.00 13.34 C ATOM 1551 O TYR A 94 7.369 11.611 7.335 1.00 54.35 O ATOM 1552 CB TYR A 94 8.696 8.530 7.773 1.00 61.52 C ATOM 1553 CG TYR A 94 9.244 8.788 6.388 1.00 43.31 C ATOM 1554 CD1 TYR A 94 10.212 9.761 6.172 1.00 62.11 C ATOM 1555 CD2 TYR A 94 8.796 8.052 5.300 1.00 41.22 C ATOM 1556 CE1 TYR A 94 10.718 9.993 4.909 1.00 72.51 C ATOM 1557 CE2 TYR A 94 9.300 8.276 4.032 1.00 21.51 C ATOM 1558 CZ TYR A 94 10.261 9.248 3.844 1.00 53.51 C ATOM 1559 OH TYR A 94 10.769 9.473 2.582 1.00 71.03 O ATOM 0 H TYR A 94 7.632 8.511 10.041 1.00 2.51 H new ATOM 0 HA TYR A 94 9.233 10.451 8.558 1.00 22.45 H new ATOM 0 HB2 TYR A 94 9.424 7.947 8.336 1.00 61.52 H new ATOM 0 HB3 TYR A 94 7.797 7.920 7.687 1.00 61.52 H new ATOM 0 HD1 TYR A 94 10.574 10.345 7.005 1.00 62.11 H new ATOM 0 HD2 TYR A 94 8.042 7.293 5.446 1.00 41.22 H new ATOM 0 HE1 TYR A 94 11.468 10.755 4.756 1.00 72.51 H new ATOM 0 HE2 TYR A 94 8.944 7.694 3.195 1.00 21.51 H new ATOM 0 HH TYR A 94 10.342 8.864 1.944 1.00 71.03 H new ATOM 1569 N MET A 95 6.003 9.976 8.059 1.00 14.25 N ATOM 1570 CA MET A 95 4.790 10.603 7.578 1.00 15.04 C ATOM 1571 C MET A 95 4.084 11.305 8.726 1.00 35.32 C ATOM 1572 O MET A 95 3.968 10.755 9.821 1.00 61.23 O ATOM 1573 CB MET A 95 3.869 9.553 6.959 1.00 22.32 C ATOM 1574 CG MET A 95 4.376 8.985 5.645 1.00 33.34 C ATOM 1575 SD MET A 95 4.424 10.212 4.324 1.00 1.35 S ATOM 1576 CE MET A 95 2.674 10.522 4.068 1.00 60.22 C ATOM 0 H MET A 95 5.856 9.071 8.505 1.00 14.25 H new ATOM 0 HA MET A 95 5.046 11.339 6.816 1.00 15.04 H new ATOM 0 HB2 MET A 95 3.737 8.737 7.669 1.00 22.32 H new ATOM 0 HB3 MET A 95 2.887 9.997 6.796 1.00 22.32 H new ATOM 0 HG2 MET A 95 5.376 8.578 5.793 1.00 33.34 H new ATOM 0 HG3 MET A 95 3.736 8.156 5.342 1.00 33.34 H new ATOM 0 HE1 MET A 95 2.446 10.462 3.004 1.00 60.22 H new ATOM 0 HE2 MET A 95 2.090 9.776 4.607 1.00 60.22 H new ATOM 0 HE3 MET A 95 2.423 11.516 4.437 1.00 60.22 H new ATOM 1586 N GLU A 96 3.633 12.524 8.484 1.00 11.20 N ATOM 1587 CA GLU A 96 2.937 13.291 9.505 1.00 50.34 C ATOM 1588 C GLU A 96 1.536 12.730 9.713 1.00 43.15 C ATOM 1589 O GLU A 96 1.090 12.527 10.844 1.00 63.25 O ATOM 1590 CB GLU A 96 2.880 14.763 9.095 1.00 52.23 C ATOM 1591 CG GLU A 96 2.424 15.698 10.202 1.00 43.21 C ATOM 1592 CD GLU A 96 2.655 17.153 9.851 1.00 10.43 C ATOM 1593 OE1 GLU A 96 3.830 17.575 9.804 1.00 65.51 O ATOM 1594 OE2 GLU A 96 1.669 17.885 9.621 1.00 72.54 O ATOM 0 H GLU A 96 3.736 13.004 7.590 1.00 11.20 H new ATOM 0 HA GLU A 96 3.478 13.215 10.448 1.00 50.34 H new ATOM 0 HB2 GLU A 96 3.868 15.073 8.756 1.00 52.23 H new ATOM 0 HB3 GLU A 96 2.205 14.867 8.246 1.00 52.23 H new ATOM 0 HG2 GLU A 96 1.364 15.537 10.398 1.00 43.21 H new ATOM 0 HG3 GLU A 96 2.958 15.458 11.121 1.00 43.21 H new ATOM 1601 N ASN A 97 0.863 12.462 8.604 1.00 23.54 N ATOM 1602 CA ASN A 97 -0.459 11.853 8.605 1.00 34.14 C ATOM 1603 C ASN A 97 -0.629 11.037 7.337 1.00 2.41 C ATOM 1604 O ASN A 97 0.249 11.042 6.473 1.00 43.53 O ATOM 1605 CB ASN A 97 -1.566 12.912 8.692 1.00 32.23 C ATOM 1606 CG ASN A 97 -1.940 13.275 10.119 1.00 34.31 C ATOM 1607 OD1 ASN A 97 -1.901 12.297 11.013 1.00 3.32 O flip ATOM 1608 ND2 ASN A 97 -2.276 14.422 10.413 1.00 52.42 N flip ATOM 0 H ASN A 97 1.222 12.663 7.671 1.00 23.54 H new ATOM 0 HA ASN A 97 -0.543 11.211 9.482 1.00 34.14 H new ATOM 0 HB2 ASN A 97 -1.241 13.811 8.169 1.00 32.23 H new ATOM 0 HB3 ASN A 97 -2.452 12.545 8.174 1.00 32.23 H new ATOM 0 HD21 ASN A 97 -2.293 15.148 9.697 1.00 52.42 H new ATOM 0 HD22 ASN A 97 -2.537 14.647 11.373 1.00 52.42 H new ATOM 1615 N ASP A 98 -1.742 10.334 7.223 1.00 32.42 N ATOM 1616 CA ASP A 98 -2.021 9.558 6.036 1.00 41.32 C ATOM 1617 C ASP A 98 -2.639 10.449 4.966 1.00 32.11 C ATOM 1618 O ASP A 98 -3.217 11.492 5.274 1.00 44.33 O ATOM 1619 CB ASP A 98 -2.964 8.398 6.355 1.00 2.40 C ATOM 1620 CG ASP A 98 -4.174 8.818 7.156 1.00 52.34 C ATOM 1621 OD1 ASP A 98 -5.148 9.299 6.545 1.00 13.25 O ATOM 1622 OD2 ASP A 98 -4.162 8.648 8.391 1.00 42.53 O ATOM 0 H ASP A 98 -2.465 10.287 7.941 1.00 32.42 H new ATOM 0 HA ASP A 98 -1.082 9.147 5.665 1.00 41.32 H new ATOM 0 HB2 ASP A 98 -3.295 7.940 5.423 1.00 2.40 H new ATOM 0 HB3 ASP A 98 -2.417 7.635 6.909 1.00 2.40 H new ATOM 1627 N PRO A 99 -2.522 10.052 3.694 1.00 60.31 N ATOM 1628 CA PRO A 99 -3.075 10.819 2.572 1.00 14.44 C ATOM 1629 C PRO A 99 -4.602 10.770 2.518 1.00 33.32 C ATOM 1630 O PRO A 99 -5.228 11.468 1.721 1.00 3.21 O ATOM 1631 CB PRO A 99 -2.471 10.123 1.352 1.00 24.34 C ATOM 1632 CG PRO A 99 -2.233 8.726 1.804 1.00 51.02 C ATOM 1633 CD PRO A 99 -1.822 8.836 3.241 1.00 42.33 C ATOM 0 HA PRO A 99 -2.837 11.880 2.644 1.00 14.44 H new ATOM 0 HB2 PRO A 99 -3.150 10.155 0.500 1.00 24.34 H new ATOM 0 HB3 PRO A 99 -1.544 10.603 1.039 1.00 24.34 H new ATOM 0 HG2 PRO A 99 -3.133 8.120 1.698 1.00 51.02 H new ATOM 0 HG3 PRO A 99 -1.455 8.248 1.209 1.00 51.02 H new ATOM 0 HD2 PRO A 99 -2.123 7.960 3.815 1.00 42.33 H new ATOM 0 HD3 PRO A 99 -0.741 8.930 3.346 1.00 42.33 H new ATOM 1641 N PHE A 100 -5.197 9.949 3.379 1.00 23.11 N ATOM 1642 CA PHE A 100 -6.644 9.787 3.406 1.00 54.51 C ATOM 1643 C PHE A 100 -7.287 10.860 4.276 1.00 64.34 C ATOM 1644 O PHE A 100 -8.484 11.127 4.168 1.00 15.42 O ATOM 1645 CB PHE A 100 -7.020 8.392 3.903 1.00 51.50 C ATOM 1646 CG PHE A 100 -6.565 7.294 2.984 1.00 43.13 C ATOM 1647 CD1 PHE A 100 -7.304 6.967 1.857 1.00 61.31 C ATOM 1648 CD2 PHE A 100 -5.402 6.590 3.245 1.00 71.21 C ATOM 1649 CE1 PHE A 100 -6.888 5.961 1.008 1.00 25.25 C ATOM 1650 CE2 PHE A 100 -4.981 5.580 2.399 1.00 52.15 C ATOM 1651 CZ PHE A 100 -5.725 5.265 1.279 1.00 23.23 C ATOM 0 H PHE A 100 -4.697 9.386 4.067 1.00 23.11 H new ATOM 0 HA PHE A 100 -7.021 9.900 2.390 1.00 54.51 H new ATOM 0 HB2 PHE A 100 -6.584 8.235 4.890 1.00 51.50 H new ATOM 0 HB3 PHE A 100 -8.102 8.334 4.020 1.00 51.50 H new ATOM 0 HD1 PHE A 100 -8.215 7.505 1.641 1.00 61.31 H new ATOM 0 HD2 PHE A 100 -4.816 6.832 4.120 1.00 71.21 H new ATOM 0 HE1 PHE A 100 -7.471 5.718 0.132 1.00 25.25 H new ATOM 0 HE2 PHE A 100 -4.072 5.038 2.614 1.00 52.15 H new ATOM 0 HZ PHE A 100 -5.399 4.477 0.617 1.00 23.23 H new ATOM 1661 N LYS A 101 -6.475 11.465 5.139 1.00 53.32 N ATOM 1662 CA LYS A 101 -6.870 12.612 5.928 1.00 13.40 C ATOM 1663 C LYS A 101 -7.558 13.684 5.085 1.00 53.40 C ATOM 1664 O LYS A 101 -8.657 14.136 5.409 1.00 61.44 O ATOM 1665 CB LYS A 101 -5.614 13.181 6.570 1.00 1.11 C ATOM 1666 CG LYS A 101 -5.495 12.875 8.043 1.00 31.43 C ATOM 1667 CD LYS A 101 -6.467 13.709 8.853 1.00 61.13 C ATOM 1668 CE LYS A 101 -6.377 13.364 10.319 1.00 72.14 C ATOM 1669 NZ LYS A 101 -6.978 14.420 11.181 1.00 13.14 N ATOM 0 H LYS A 101 -5.515 11.164 5.307 1.00 53.32 H new ATOM 0 HA LYS A 101 -7.593 12.296 6.680 1.00 13.40 H new ATOM 0 HB2 LYS A 101 -4.740 12.784 6.053 1.00 1.11 H new ATOM 0 HB3 LYS A 101 -5.603 14.262 6.430 1.00 1.11 H new ATOM 0 HG2 LYS A 101 -5.689 11.816 8.215 1.00 31.43 H new ATOM 0 HG3 LYS A 101 -4.476 13.071 8.377 1.00 31.43 H new ATOM 0 HD2 LYS A 101 -6.251 14.768 8.710 1.00 61.13 H new ATOM 0 HD3 LYS A 101 -7.483 13.540 8.497 1.00 61.13 H new ATOM 0 HE2 LYS A 101 -6.885 12.417 10.500 1.00 72.14 H new ATOM 0 HE3 LYS A 101 -5.332 13.223 10.594 1.00 72.14 H new ATOM 0 HZ1 LYS A 101 -6.894 14.142 12.180 1.00 13.14 H new ATOM 0 HZ2 LYS A 101 -6.478 15.319 11.029 1.00 13.14 H new ATOM 0 HZ3 LYS A 101 -7.982 14.537 10.937 1.00 13.14 H new ATOM 1683 N ASP A 102 -6.911 14.070 3.997 1.00 10.21 N ATOM 1684 CA ASP A 102 -7.405 15.153 3.151 1.00 63.13 C ATOM 1685 C ASP A 102 -7.885 14.602 1.811 1.00 35.22 C ATOM 1686 O ASP A 102 -8.205 15.353 0.889 1.00 34.55 O ATOM 1687 CB ASP A 102 -6.289 16.183 2.947 1.00 65.51 C ATOM 1688 CG ASP A 102 -6.762 17.474 2.300 1.00 65.51 C ATOM 1689 OD1 ASP A 102 -7.663 18.138 2.860 1.00 70.05 O ATOM 1690 OD2 ASP A 102 -6.203 17.854 1.249 1.00 72.41 O ATOM 0 H ASP A 102 -6.039 13.650 3.675 1.00 10.21 H new ATOM 0 HA ASP A 102 -8.252 15.638 3.637 1.00 63.13 H new ATOM 0 HB2 ASP A 102 -5.839 16.414 3.912 1.00 65.51 H new ATOM 0 HB3 ASP A 102 -5.508 15.742 2.328 1.00 65.51 H new ATOM 1695 N PHE A 103 -7.951 13.275 1.730 1.00 41.41 N ATOM 1696 CA PHE A 103 -8.324 12.578 0.498 1.00 61.54 C ATOM 1697 C PHE A 103 -9.687 13.038 -0.012 1.00 22.24 C ATOM 1698 O PHE A 103 -9.808 13.536 -1.133 1.00 63.43 O ATOM 1699 CB PHE A 103 -8.331 11.062 0.727 1.00 23.33 C ATOM 1700 CG PHE A 103 -8.658 10.258 -0.500 1.00 34.22 C ATOM 1701 CD1 PHE A 103 -7.723 10.101 -1.511 1.00 24.13 C ATOM 1702 CD2 PHE A 103 -9.898 9.656 -0.641 1.00 25.45 C ATOM 1703 CE1 PHE A 103 -8.020 9.361 -2.639 1.00 33.11 C ATOM 1704 CE2 PHE A 103 -10.201 8.914 -1.767 1.00 13.11 C ATOM 1705 CZ PHE A 103 -9.259 8.767 -2.767 1.00 52.02 C ATOM 0 H PHE A 103 -7.749 12.653 2.513 1.00 41.41 H new ATOM 0 HA PHE A 103 -7.581 12.822 -0.261 1.00 61.54 H new ATOM 0 HB2 PHE A 103 -7.353 10.757 1.098 1.00 23.33 H new ATOM 0 HB3 PHE A 103 -9.055 10.826 1.507 1.00 23.33 H new ATOM 0 HD1 PHE A 103 -6.751 10.562 -1.416 1.00 24.13 H new ATOM 0 HD2 PHE A 103 -10.637 9.768 0.139 1.00 25.45 H new ATOM 0 HE1 PHE A 103 -7.283 9.247 -3.420 1.00 33.11 H new ATOM 0 HE2 PHE A 103 -11.171 8.450 -1.865 1.00 13.11 H new ATOM 0 HZ PHE A 103 -9.492 8.188 -3.648 1.00 52.02 H new