USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 606 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 Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0.0365 K(o=0.037,f=-2.5!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 173:sc= 1.1 (180deg=1.06) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 144:sc= 1.11 (180deg=-0.596) USER MOD Single : A 30 MET CE :methyl -171:sc= 0 (180deg=-0.118) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.364 X(o=-0.36,f=-0.062) USER MOD Single : A 37 ASN : amide:sc= 0.624 K(o=0.62,f=-3.2!) USER MOD Single : A 38 GLN : amide:sc= -1.27 K(o=-1.3,f=-6.9!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -150:sc= 0.519 (180deg=0.451) USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= 1.24 (180deg=0.824) USER MOD Single : A 51 LYS NZ :NH3+ -131:sc= 0.0225 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 1.01 USER MOD Single : A 58 THR OG1 : rot -128:sc= 1.22 USER MOD Single : A 60 SER OG : rot 111:sc= 0.686 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 30:sc= 0.66 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= -0.415 K(o=-0.41,f=-0.98) USER MOD Single : A 76 GLN : amide:sc= -0.733! C(o=-0.73!,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 6.998 15.248 4.029 1.00 8.44 N ATOM 2 CA ALA A 2 8.455 15.321 3.990 1.00 8.83 C ATOM 3 C ALA A 2 8.984 13.996 3.459 1.00 8.38 C ATOM 4 O ALA A 2 9.192 13.881 2.256 1.00 9.04 O ATOM 5 CB ALA A 2 9.031 15.687 5.356 1.00 9.47 C ATOM 0 HA ALA A 2 8.776 16.118 3.319 1.00 8.83 H new ATOM 0 HB1 ALA A 2 10.118 15.733 5.292 1.00 9.47 H new ATOM 0 HB2 ALA A 2 8.644 16.658 5.666 1.00 9.47 H new ATOM 0 HB3 ALA A 2 8.742 14.932 6.087 1.00 9.47 H new ATOM 13 N LYS A 3 9.191 12.986 4.304 1.00 7.83 N ATOM 14 CA LYS A 3 9.644 11.693 3.810 1.00 7.82 C ATOM 15 C LYS A 3 8.572 11.086 2.913 1.00 6.63 C ATOM 16 O LYS A 3 7.379 11.319 3.127 1.00 5.51 O ATOM 17 CB LYS A 3 10.006 10.758 4.973 1.00 8.01 C ATOM 18 CG LYS A 3 10.540 9.391 4.516 1.00 8.87 C ATOM 19 CD LYS A 3 11.437 8.754 5.587 1.00 10.14 C ATOM 20 CE LYS A 3 10.685 8.360 6.865 1.00 10.72 C ATOM 21 NZ LYS A 3 9.842 7.162 6.691 1.00 11.28 N ATOM 0 H LYS A 3 9.055 13.038 5.313 1.00 7.83 H new ATOM 0 HA LYS A 3 10.550 11.832 3.219 1.00 7.82 H new ATOM 0 HB2 LYS A 3 10.756 11.242 5.598 1.00 8.01 H new ATOM 0 HB3 LYS A 3 9.124 10.605 5.595 1.00 8.01 H new ATOM 0 HG2 LYS A 3 9.704 8.727 4.297 1.00 8.87 H new ATOM 0 HG3 LYS A 3 11.104 9.510 3.591 1.00 8.87 H new ATOM 0 HD2 LYS A 3 11.914 7.868 5.169 1.00 10.14 H new ATOM 0 HD3 LYS A 3 12.233 9.453 5.845 1.00 10.14 H new ATOM 0 HE2 LYS A 3 11.405 8.178 7.662 1.00 10.72 H new ATOM 0 HE3 LYS A 3 10.060 9.194 7.184 1.00 10.72 H new ATOM 0 HZ1 LYS A 3 9.359 6.944 7.586 1.00 11.28 H new ATOM 0 HZ2 LYS A 3 9.134 7.340 5.950 1.00 11.28 H new ATOM 0 HZ3 LYS A 3 10.438 6.356 6.414 1.00 11.28 H new ATOM 35 N GLN A 4 9.026 10.287 1.948 1.00 7.30 N ATOM 36 CA GLN A 4 8.235 9.437 1.090 1.00 6.74 C ATOM 37 C GLN A 4 7.299 8.631 1.978 1.00 5.02 C ATOM 38 O GLN A 4 7.699 7.659 2.620 1.00 5.59 O ATOM 39 CB GLN A 4 9.190 8.522 0.329 1.00 8.52 C ATOM 40 CG GLN A 4 9.393 8.950 -1.125 1.00 9.54 C ATOM 41 CD GLN A 4 10.022 10.333 -1.235 1.00 10.44 C ATOM 42 OE1 GLN A 4 10.738 10.771 -0.336 1.00 11.05 O ATOM 43 NE2 GLN A 4 9.762 11.030 -2.331 1.00 10.99 N ATOM 0 H GLN A 4 10.022 10.220 1.740 1.00 7.30 H new ATOM 0 HA GLN A 4 7.645 10.008 0.373 1.00 6.74 H new ATOM 0 HB2 GLN A 4 10.155 8.509 0.837 1.00 8.52 H new ATOM 0 HB3 GLN A 4 8.804 7.503 0.352 1.00 8.52 H new ATOM 0 HG2 GLN A 4 10.028 8.223 -1.631 1.00 9.54 H new ATOM 0 HG3 GLN A 4 8.432 8.947 -1.640 1.00 9.54 H new ATOM 0 HE21 GLN A 4 9.164 10.635 -3.057 1.00 10.99 H new ATOM 0 HE22 GLN A 4 10.160 11.962 -2.449 1.00 10.99 H new ATOM 52 N ASP A 5 6.070 9.108 2.048 1.00 3.52 N ATOM 53 CA ASP A 5 5.006 8.464 2.790 1.00 2.27 C ATOM 54 C ASP A 5 4.369 7.410 1.900 1.00 2.05 C ATOM 55 O ASP A 5 4.644 7.367 0.705 1.00 3.39 O ATOM 56 CB ASP A 5 3.988 9.492 3.296 1.00 2.52 C ATOM 57 CG ASP A 5 3.456 9.074 4.643 1.00 3.99 C ATOM 58 OD1 ASP A 5 2.946 7.943 4.774 1.00 4.55 O ATOM 59 OD2 ASP A 5 3.633 9.876 5.585 1.00 5.29 O ATOM 0 H ASP A 5 5.780 9.968 1.583 1.00 3.52 H new ATOM 0 HA ASP A 5 5.409 7.977 3.678 1.00 2.27 H new ATOM 0 HB2 ASP A 5 4.457 10.473 3.370 1.00 2.52 H new ATOM 0 HB3 ASP A 5 3.167 9.583 2.585 1.00 2.52 H new ATOM 64 N TYR A 6 3.526 6.561 2.474 1.00 1.45 N ATOM 65 CA TYR A 6 2.878 5.472 1.753 1.00 1.08 C ATOM 66 C TYR A 6 3.884 4.410 1.278 1.00 0.88 C ATOM 67 O TYR A 6 3.526 3.545 0.484 1.00 1.34 O ATOM 68 CB TYR A 6 2.002 6.027 0.616 1.00 1.25 C ATOM 69 CG TYR A 6 1.262 7.308 0.970 1.00 1.92 C ATOM 70 CD1 TYR A 6 0.253 7.287 1.949 1.00 2.84 C ATOM 71 CD2 TYR A 6 1.650 8.537 0.401 1.00 3.08 C ATOM 72 CE1 TYR A 6 -0.449 8.461 2.267 1.00 3.53 C ATOM 73 CE2 TYR A 6 0.947 9.712 0.720 1.00 3.76 C ATOM 74 CZ TYR A 6 -0.112 9.671 1.643 1.00 3.59 C ATOM 75 OH TYR A 6 -0.805 10.805 1.935 1.00 4.42 O ATOM 0 H TYR A 6 3.271 6.609 3.460 1.00 1.45 H new ATOM 0 HA TYR A 6 2.216 4.951 2.445 1.00 1.08 H new ATOM 0 HB2 TYR A 6 2.631 6.212 -0.255 1.00 1.25 H new ATOM 0 HB3 TYR A 6 1.275 5.268 0.329 1.00 1.25 H new ATOM 0 HD1 TYR A 6 0.017 6.364 2.458 1.00 2.84 H new ATOM 0 HD2 TYR A 6 2.487 8.577 -0.280 1.00 3.08 H new ATOM 0 HE1 TYR A 6 -1.249 8.432 2.992 1.00 3.53 H new ATOM 0 HE2 TYR A 6 1.221 10.647 0.255 1.00 3.76 H new ATOM 0 HH TYR A 6 -0.442 11.553 1.416 1.00 4.42 H new ATOM 85 N TYR A 7 5.116 4.430 1.803 1.00 1.14 N ATOM 86 CA TYR A 7 6.132 3.403 1.584 1.00 1.05 C ATOM 87 C TYR A 7 6.410 2.689 2.905 1.00 1.10 C ATOM 88 O TYR A 7 6.367 1.464 2.985 1.00 1.11 O ATOM 89 CB TYR A 7 7.413 4.015 1.004 1.00 1.12 C ATOM 90 CG TYR A 7 7.300 4.416 -0.455 1.00 1.56 C ATOM 91 CD1 TYR A 7 7.633 3.505 -1.477 1.00 2.96 C ATOM 92 CD2 TYR A 7 6.916 5.725 -0.793 1.00 2.27 C ATOM 93 CE1 TYR A 7 7.610 3.913 -2.823 1.00 3.86 C ATOM 94 CE2 TYR A 7 6.860 6.125 -2.138 1.00 3.24 C ATOM 95 CZ TYR A 7 7.240 5.228 -3.149 1.00 3.73 C ATOM 96 OH TYR A 7 7.271 5.636 -4.450 1.00 4.87 O ATOM 0 H TYR A 7 5.438 5.185 2.409 1.00 1.14 H new ATOM 0 HA TYR A 7 5.764 2.679 0.857 1.00 1.05 H new ATOM 0 HB2 TYR A 7 7.682 4.893 1.592 1.00 1.12 H new ATOM 0 HB3 TYR A 7 8.227 3.298 1.111 1.00 1.12 H new ATOM 0 HD1 TYR A 7 7.907 2.491 -1.226 1.00 2.96 H new ATOM 0 HD2 TYR A 7 6.662 6.428 -0.013 1.00 2.27 H new ATOM 0 HE1 TYR A 7 7.876 3.216 -3.604 1.00 3.86 H new ATOM 0 HE2 TYR A 7 6.526 7.120 -2.394 1.00 3.24 H new ATOM 0 HH TYR A 7 6.985 6.572 -4.506 1.00 4.87 H new ATOM 106 N GLU A 8 6.658 3.433 3.982 1.00 1.29 N ATOM 107 CA GLU A 8 6.973 2.823 5.258 1.00 1.41 C ATOM 108 C GLU A 8 5.737 2.083 5.795 1.00 1.36 C ATOM 109 O GLU A 8 5.869 1.152 6.584 1.00 1.39 O ATOM 110 CB GLU A 8 7.450 3.931 6.206 1.00 1.67 C ATOM 111 CG GLU A 8 8.843 3.656 6.780 1.00 1.93 C ATOM 112 CD GLU A 8 8.941 2.365 7.566 1.00 2.70 C ATOM 113 OE1 GLU A 8 8.454 2.315 8.712 1.00 2.90 O ATOM 114 OE2 GLU A 8 9.575 1.423 7.049 1.00 4.06 O ATOM 0 H GLU A 8 6.645 4.453 3.990 1.00 1.29 H new ATOM 0 HA GLU A 8 7.767 2.083 5.161 1.00 1.41 H new ATOM 0 HB2 GLU A 8 7.462 4.881 5.672 1.00 1.67 H new ATOM 0 HB3 GLU A 8 6.738 4.035 7.025 1.00 1.67 H new ATOM 0 HG2 GLU A 8 9.563 3.627 5.962 1.00 1.93 H new ATOM 0 HG3 GLU A 8 9.129 4.486 7.427 1.00 1.93 H new ATOM 121 N ILE A 9 4.540 2.498 5.363 1.00 1.33 N ATOM 122 CA ILE A 9 3.278 1.912 5.758 1.00 1.32 C ATOM 123 C ILE A 9 3.279 0.431 5.415 1.00 1.28 C ATOM 124 O ILE A 9 3.225 -0.412 6.308 1.00 1.52 O ATOM 125 CB ILE A 9 2.110 2.705 5.135 1.00 1.33 C ATOM 126 CG1 ILE A 9 1.882 3.931 6.035 1.00 1.60 C ATOM 127 CG2 ILE A 9 0.827 1.867 5.004 1.00 1.26 C ATOM 128 CD1 ILE A 9 0.999 5.009 5.406 1.00 1.60 C ATOM 0 H ILE A 9 4.433 3.274 4.710 1.00 1.33 H new ATOM 0 HA ILE A 9 3.139 1.978 6.837 1.00 1.32 H new ATOM 0 HB ILE A 9 2.364 3.000 4.117 1.00 1.33 H new ATOM 0 HG12 ILE A 9 1.427 3.603 6.970 1.00 1.60 H new ATOM 0 HG13 ILE A 9 2.848 4.369 6.287 1.00 1.60 H new ATOM 0 HG21 ILE A 9 0.039 2.475 4.560 1.00 1.26 H new ATOM 0 HG22 ILE A 9 1.020 1.003 4.368 1.00 1.26 H new ATOM 0 HG23 ILE A 9 0.511 1.528 5.991 1.00 1.26 H new ATOM 0 HD11 ILE A 9 0.886 5.839 6.103 1.00 1.60 H new ATOM 0 HD12 ILE A 9 1.462 5.367 4.486 1.00 1.60 H new ATOM 0 HD13 ILE A 9 0.019 4.590 5.180 1.00 1.60 H new ATOM 140 N LEU A 10 3.347 0.102 4.123 1.00 1.08 N ATOM 141 CA LEU A 10 3.378 -1.282 3.731 1.00 1.14 C ATOM 142 C LEU A 10 4.751 -1.894 4.029 1.00 1.15 C ATOM 143 O LEU A 10 4.871 -3.102 4.240 1.00 1.42 O ATOM 144 CB LEU A 10 2.796 -1.467 2.329 1.00 1.45 C ATOM 145 CG LEU A 10 3.519 -0.921 1.093 1.00 1.19 C ATOM 146 CD1 LEU A 10 2.762 -1.432 -0.138 1.00 1.91 C ATOM 147 CD2 LEU A 10 3.578 0.604 1.052 1.00 2.42 C ATOM 0 H LEU A 10 3.380 0.771 3.354 1.00 1.08 H new ATOM 0 HA LEU A 10 2.706 -1.883 4.343 1.00 1.14 H new ATOM 0 HB2 LEU A 10 2.668 -2.539 2.176 1.00 1.45 H new ATOM 0 HB3 LEU A 10 1.800 -1.025 2.337 1.00 1.45 H new ATOM 0 HG LEU A 10 4.553 -1.266 1.119 1.00 1.19 H new ATOM 0 HD11 LEU A 10 3.247 -1.064 -1.042 1.00 1.91 H new ATOM 0 HD12 LEU A 10 2.767 -2.522 -0.142 1.00 1.91 H new ATOM 0 HD13 LEU A 10 1.733 -1.074 -0.107 1.00 1.91 H new ATOM 0 HD21 LEU A 10 4.103 0.924 0.152 1.00 2.42 H new ATOM 0 HD22 LEU A 10 2.565 1.007 1.044 1.00 2.42 H new ATOM 0 HD23 LEU A 10 4.108 0.971 1.931 1.00 2.42 H new ATOM 159 N GLY A 11 5.779 -1.054 4.134 1.00 1.08 N ATOM 160 CA GLY A 11 7.045 -1.417 4.731 1.00 1.21 C ATOM 161 C GLY A 11 7.961 -1.758 3.583 1.00 1.07 C ATOM 162 O GLY A 11 8.068 -2.922 3.197 1.00 1.33 O ATOM 0 H GLY A 11 5.747 -0.091 3.800 1.00 1.08 H new ATOM 0 HA2 GLY A 11 7.448 -0.594 5.321 1.00 1.21 H new ATOM 0 HA3 GLY A 11 6.930 -2.266 5.404 1.00 1.21 H new ATOM 166 N VAL A 12 8.551 -0.735 2.978 1.00 0.92 N ATOM 167 CA VAL A 12 9.344 -0.878 1.783 1.00 0.88 C ATOM 168 C VAL A 12 10.254 0.344 1.636 1.00 0.98 C ATOM 169 O VAL A 12 10.005 1.384 2.245 1.00 1.05 O ATOM 170 CB VAL A 12 8.390 -1.112 0.600 1.00 0.83 C ATOM 171 CG1 VAL A 12 7.336 -0.014 0.461 1.00 0.93 C ATOM 172 CG2 VAL A 12 9.131 -1.224 -0.715 1.00 1.14 C ATOM 0 H VAL A 12 8.486 0.226 3.315 1.00 0.92 H new ATOM 0 HA VAL A 12 10.010 -1.740 1.825 1.00 0.88 H new ATOM 0 HB VAL A 12 7.892 -2.055 0.825 1.00 0.83 H new ATOM 0 HG11 VAL A 12 6.692 -0.234 -0.391 1.00 0.93 H new ATOM 0 HG12 VAL A 12 6.735 0.030 1.369 1.00 0.93 H new ATOM 0 HG13 VAL A 12 7.829 0.946 0.305 1.00 0.93 H new ATOM 0 HG21 VAL A 12 8.417 -1.389 -1.522 1.00 1.14 H new ATOM 0 HG22 VAL A 12 9.683 -0.303 -0.901 1.00 1.14 H new ATOM 0 HG23 VAL A 12 9.827 -2.061 -0.670 1.00 1.14 H new ATOM 182 N SER A 13 11.318 0.191 0.847 1.00 1.07 N ATOM 183 CA SER A 13 12.307 1.208 0.569 1.00 1.30 C ATOM 184 C SER A 13 11.630 2.487 0.049 1.00 1.39 C ATOM 185 O SER A 13 10.654 2.417 -0.698 1.00 1.62 O ATOM 186 CB SER A 13 13.319 0.623 -0.438 1.00 1.45 C ATOM 187 OG SER A 13 14.629 0.574 0.098 1.00 1.83 O ATOM 0 H SER A 13 11.514 -0.688 0.368 1.00 1.07 H new ATOM 0 HA SER A 13 12.839 1.493 1.476 1.00 1.30 H new ATOM 0 HB2 SER A 13 13.006 -0.381 -0.725 1.00 1.45 H new ATOM 0 HB3 SER A 13 13.320 1.228 -1.345 1.00 1.45 H new ATOM 0 HG SER A 13 15.241 0.196 -0.568 1.00 1.83 H new ATOM 193 N LYS A 14 12.165 3.649 0.435 1.00 1.47 N ATOM 194 CA LYS A 14 11.537 4.952 0.259 1.00 1.58 C ATOM 195 C LYS A 14 11.072 5.188 -1.174 1.00 1.60 C ATOM 196 O LYS A 14 9.969 5.665 -1.401 1.00 2.05 O ATOM 197 CB LYS A 14 12.522 6.063 0.632 1.00 1.94 C ATOM 198 CG LYS A 14 12.954 6.032 2.103 1.00 2.38 C ATOM 199 CD LYS A 14 13.476 7.410 2.526 1.00 3.19 C ATOM 200 CE LYS A 14 14.672 7.884 1.686 1.00 3.57 C ATOM 201 NZ LYS A 14 15.021 9.290 1.963 1.00 4.54 N ATOM 0 H LYS A 14 13.075 3.705 0.892 1.00 1.47 H new ATOM 0 HA LYS A 14 10.664 4.968 0.912 1.00 1.58 H new ATOM 0 HB2 LYS A 14 13.406 5.980 0.000 1.00 1.94 H new ATOM 0 HB3 LYS A 14 12.066 7.029 0.416 1.00 1.94 H new ATOM 0 HG2 LYS A 14 12.111 5.745 2.732 1.00 2.38 H new ATOM 0 HG3 LYS A 14 13.730 5.280 2.247 1.00 2.38 H new ATOM 0 HD2 LYS A 14 12.670 8.139 2.443 1.00 3.19 H new ATOM 0 HD3 LYS A 14 13.768 7.375 3.576 1.00 3.19 H new ATOM 0 HE2 LYS A 14 15.534 7.249 1.892 1.00 3.57 H new ATOM 0 HE3 LYS A 14 14.439 7.770 0.627 1.00 3.57 H new ATOM 0 HZ1 LYS A 14 15.833 9.569 1.375 1.00 4.54 H new ATOM 0 HZ2 LYS A 14 14.208 9.900 1.742 1.00 4.54 H new ATOM 0 HZ3 LYS A 14 15.269 9.395 2.968 1.00 4.54 H new ATOM 215 N THR A 15 11.946 4.917 -2.139 1.00 1.63 N ATOM 216 CA THR A 15 11.654 5.108 -3.547 1.00 1.83 C ATOM 217 C THR A 15 11.706 3.747 -4.232 1.00 1.68 C ATOM 218 O THR A 15 12.229 3.611 -5.340 1.00 1.92 O ATOM 219 CB THR A 15 12.625 6.151 -4.123 1.00 2.30 C ATOM 220 OG1 THR A 15 13.987 5.826 -3.885 1.00 2.51 O ATOM 221 CG2 THR A 15 12.363 7.513 -3.473 1.00 2.73 C ATOM 0 H THR A 15 12.883 4.556 -1.959 1.00 1.63 H new ATOM 0 HA THR A 15 10.654 5.507 -3.716 1.00 1.83 H new ATOM 0 HB THR A 15 12.451 6.171 -5.199 1.00 2.30 H new ATOM 0 HG1 THR A 15 14.561 6.519 -4.272 1.00 2.51 H new ATOM 0 HG21 THR A 15 13.053 8.251 -3.883 1.00 2.73 H new ATOM 0 HG22 THR A 15 11.338 7.822 -3.677 1.00 2.73 H new ATOM 0 HG23 THR A 15 12.512 7.437 -2.396 1.00 2.73 H new ATOM 229 N ALA A 16 11.202 2.714 -3.554 1.00 1.43 N ATOM 230 CA ALA A 16 11.207 1.370 -4.095 1.00 1.39 C ATOM 231 C ALA A 16 10.389 1.298 -5.376 1.00 1.34 C ATOM 232 O ALA A 16 9.527 2.140 -5.636 1.00 1.50 O ATOM 233 CB ALA A 16 10.610 0.417 -3.077 1.00 1.40 C ATOM 0 H ALA A 16 10.786 2.792 -2.626 1.00 1.43 H new ATOM 0 HA ALA A 16 12.237 1.092 -4.318 1.00 1.39 H new ATOM 0 HB1 ALA A 16 10.612 -0.595 -3.481 1.00 1.40 H new ATOM 0 HB2 ALA A 16 11.202 0.444 -2.162 1.00 1.40 H new ATOM 0 HB3 ALA A 16 9.586 0.717 -2.855 1.00 1.40 H new ATOM 239 N GLU A 17 10.660 0.277 -6.177 1.00 1.30 N ATOM 240 CA GLU A 17 9.923 0.001 -7.375 1.00 1.33 C ATOM 241 C GLU A 17 8.549 -0.548 -7.002 1.00 1.23 C ATOM 242 O GLU A 17 8.390 -1.222 -5.984 1.00 1.15 O ATOM 243 CB GLU A 17 10.721 -1.036 -8.170 1.00 1.45 C ATOM 244 CG GLU A 17 10.374 -0.929 -9.645 1.00 1.60 C ATOM 245 CD GLU A 17 10.913 -2.088 -10.438 1.00 1.87 C ATOM 246 OE1 GLU A 17 11.817 -2.791 -9.942 1.00 2.80 O ATOM 247 OE2 GLU A 17 10.411 -2.273 -11.561 1.00 2.28 O ATOM 0 H GLU A 17 11.414 -0.387 -5.998 1.00 1.30 H new ATOM 0 HA GLU A 17 9.779 0.901 -7.973 1.00 1.33 H new ATOM 0 HB2 GLU A 17 11.789 -0.876 -8.025 1.00 1.45 H new ATOM 0 HB3 GLU A 17 10.497 -2.039 -7.806 1.00 1.45 H new ATOM 0 HG2 GLU A 17 9.291 -0.884 -9.760 1.00 1.60 H new ATOM 0 HG3 GLU A 17 10.776 0.002 -10.045 1.00 1.60 H new ATOM 254 N GLU A 18 7.598 -0.392 -7.916 1.00 1.26 N ATOM 255 CA GLU A 18 6.308 -1.059 -7.884 1.00 1.15 C ATOM 256 C GLU A 18 6.520 -2.579 -7.751 1.00 1.07 C ATOM 257 O GLU A 18 5.784 -3.296 -7.073 1.00 0.98 O ATOM 258 CB GLU A 18 5.628 -0.725 -9.209 1.00 1.37 C ATOM 259 CG GLU A 18 4.168 -1.171 -9.229 1.00 1.98 C ATOM 260 CD GLU A 18 3.926 -2.577 -9.745 1.00 3.33 C ATOM 261 OE1 GLU A 18 4.761 -3.123 -10.500 1.00 4.41 O ATOM 262 OE2 GLU A 18 2.828 -3.099 -9.482 1.00 4.05 O ATOM 0 H GLU A 18 7.710 0.222 -8.723 1.00 1.26 H new ATOM 0 HA GLU A 18 5.699 -0.735 -7.040 1.00 1.15 H new ATOM 0 HB2 GLU A 18 5.682 0.350 -9.384 1.00 1.37 H new ATOM 0 HB3 GLU A 18 6.166 -1.208 -10.025 1.00 1.37 H new ATOM 0 HG2 GLU A 18 3.770 -1.100 -8.217 1.00 1.98 H new ATOM 0 HG3 GLU A 18 3.601 -0.473 -9.845 1.00 1.98 H new ATOM 269 N ARG A 19 7.576 -3.094 -8.371 1.00 1.18 N ATOM 270 CA ARG A 19 7.872 -4.511 -8.317 1.00 1.17 C ATOM 271 C ARG A 19 8.305 -4.968 -6.917 1.00 1.12 C ATOM 272 O ARG A 19 8.164 -6.150 -6.576 1.00 1.33 O ATOM 273 CB ARG A 19 8.931 -4.810 -9.372 1.00 1.34 C ATOM 274 CG ARG A 19 9.096 -6.307 -9.604 1.00 1.45 C ATOM 275 CD ARG A 19 7.780 -6.997 -10.020 1.00 2.25 C ATOM 276 NE ARG A 19 8.028 -8.009 -11.051 1.00 2.65 N ATOM 277 CZ ARG A 19 8.577 -7.701 -12.232 1.00 3.25 C ATOM 278 NH1 ARG A 19 8.446 -6.473 -12.730 1.00 4.38 N ATOM 279 NH2 ARG A 19 9.331 -8.587 -12.871 1.00 3.79 N ATOM 0 H ARG A 19 8.240 -2.545 -8.917 1.00 1.18 H new ATOM 0 HA ARG A 19 6.967 -5.079 -8.531 1.00 1.17 H new ATOM 0 HB2 ARG A 19 8.657 -4.326 -10.309 1.00 1.34 H new ATOM 0 HB3 ARG A 19 9.885 -4.384 -9.060 1.00 1.34 H new ATOM 0 HG2 ARG A 19 9.846 -6.469 -10.378 1.00 1.45 H new ATOM 0 HG3 ARG A 19 9.472 -6.772 -8.693 1.00 1.45 H new ATOM 0 HD2 ARG A 19 7.317 -7.463 -9.150 1.00 2.25 H new ATOM 0 HD3 ARG A 19 7.077 -6.254 -10.395 1.00 2.25 H new ATOM 0 HE ARG A 19 7.774 -8.979 -10.862 1.00 2.65 H new ATOM 0 HH11 ARG A 19 7.926 -5.765 -12.211 1.00 4.38 H new ATOM 0 HH12 ARG A 19 8.865 -6.240 -13.630 1.00 4.38 H new ATOM 0 HH21 ARG A 19 9.494 -9.507 -12.462 1.00 3.79 H new ATOM 0 HH22 ARG A 19 9.747 -8.348 -13.771 1.00 3.79 H new ATOM 293 N GLU A 20 8.837 -4.054 -6.104 1.00 1.01 N ATOM 294 CA GLU A 20 9.189 -4.307 -4.718 1.00 0.95 C ATOM 295 C GLU A 20 7.985 -4.007 -3.816 1.00 0.83 C ATOM 296 O GLU A 20 7.749 -4.713 -2.833 1.00 0.83 O ATOM 297 CB GLU A 20 10.449 -3.521 -4.355 1.00 1.06 C ATOM 298 CG GLU A 20 10.853 -3.850 -2.914 1.00 1.05 C ATOM 299 CD GLU A 20 12.233 -3.371 -2.536 1.00 1.65 C ATOM 300 OE1 GLU A 20 12.758 -2.472 -3.219 1.00 2.69 O ATOM 301 OE2 GLU A 20 12.768 -3.952 -1.567 1.00 2.25 O ATOM 0 H GLU A 20 9.037 -3.099 -6.403 1.00 1.01 H new ATOM 0 HA GLU A 20 9.431 -5.359 -4.565 1.00 0.95 H new ATOM 0 HB2 GLU A 20 11.259 -3.774 -5.039 1.00 1.06 H new ATOM 0 HB3 GLU A 20 10.267 -2.451 -4.459 1.00 1.06 H new ATOM 0 HG2 GLU A 20 10.127 -3.405 -2.234 1.00 1.05 H new ATOM 0 HG3 GLU A 20 10.803 -4.930 -2.772 1.00 1.05 H new ATOM 308 N ILE A 21 7.165 -3.025 -4.188 1.00 0.77 N ATOM 309 CA ILE A 21 5.863 -2.780 -3.574 1.00 0.68 C ATOM 310 C ILE A 21 5.060 -4.076 -3.622 1.00 0.72 C ATOM 311 O ILE A 21 4.449 -4.464 -2.631 1.00 0.75 O ATOM 312 CB ILE A 21 5.149 -1.649 -4.335 1.00 0.72 C ATOM 313 CG1 ILE A 21 5.776 -0.283 -4.047 1.00 0.78 C ATOM 314 CG2 ILE A 21 3.621 -1.642 -4.183 1.00 0.78 C ATOM 315 CD1 ILE A 21 5.251 0.283 -2.734 1.00 0.85 C ATOM 0 H ILE A 21 7.391 -2.368 -4.935 1.00 0.77 H new ATOM 0 HA ILE A 21 5.971 -2.470 -2.535 1.00 0.68 H new ATOM 0 HB ILE A 21 5.313 -1.868 -5.390 1.00 0.72 H new ATOM 0 HG12 ILE A 21 6.861 -0.378 -4.000 1.00 0.78 H new ATOM 0 HG13 ILE A 21 5.551 0.405 -4.862 1.00 0.78 H new ATOM 0 HG21 ILE A 21 3.203 -0.812 -4.752 1.00 0.78 H new ATOM 0 HG22 ILE A 21 3.214 -2.581 -4.558 1.00 0.78 H new ATOM 0 HG23 ILE A 21 3.361 -1.528 -3.131 1.00 0.78 H new ATOM 0 HD11 ILE A 21 5.709 1.254 -2.548 1.00 0.85 H new ATOM 0 HD12 ILE A 21 4.169 0.398 -2.794 1.00 0.85 H new ATOM 0 HD13 ILE A 21 5.499 -0.397 -1.919 1.00 0.85 H new ATOM 327 N ARG A 22 5.126 -4.793 -4.742 1.00 0.84 N ATOM 328 CA ARG A 22 4.455 -6.069 -4.908 1.00 0.98 C ATOM 329 C ARG A 22 4.828 -7.038 -3.781 1.00 0.91 C ATOM 330 O ARG A 22 3.996 -7.840 -3.352 1.00 1.04 O ATOM 331 CB ARG A 22 4.835 -6.680 -6.268 1.00 1.25 C ATOM 332 CG ARG A 22 3.596 -6.984 -7.116 1.00 1.45 C ATOM 333 CD ARG A 22 3.141 -5.745 -7.887 1.00 1.48 C ATOM 334 NE ARG A 22 1.837 -5.995 -8.525 1.00 1.67 N ATOM 335 CZ ARG A 22 1.591 -5.952 -9.844 1.00 2.39 C ATOM 336 NH1 ARG A 22 2.486 -5.427 -10.678 1.00 3.65 N ATOM 337 NH2 ARG A 22 0.460 -6.462 -10.323 1.00 2.56 N ATOM 0 H ARG A 22 5.653 -4.497 -5.564 1.00 0.84 H new ATOM 0 HA ARG A 22 3.379 -5.899 -4.870 1.00 0.98 H new ATOM 0 HB2 ARG A 22 5.486 -5.992 -6.807 1.00 1.25 H new ATOM 0 HB3 ARG A 22 5.402 -7.597 -6.110 1.00 1.25 H new ATOM 0 HG2 ARG A 22 3.819 -7.790 -7.815 1.00 1.45 H new ATOM 0 HG3 ARG A 22 2.788 -7.334 -6.473 1.00 1.45 H new ATOM 0 HD2 ARG A 22 3.066 -4.894 -7.211 1.00 1.48 H new ATOM 0 HD3 ARG A 22 3.881 -5.486 -8.644 1.00 1.48 H new ATOM 0 HE ARG A 22 1.054 -6.220 -7.912 1.00 1.67 H new ATOM 0 HH11 ARG A 22 3.364 -5.055 -10.316 1.00 3.65 H new ATOM 0 HH12 ARG A 22 2.294 -5.397 -11.679 1.00 3.65 H new ATOM 0 HH21 ARG A 22 -0.218 -6.884 -9.689 1.00 2.56 H new ATOM 0 HH22 ARG A 22 0.270 -6.431 -11.325 1.00 2.56 H new ATOM 351 N LYS A 23 6.089 -7.014 -3.348 1.00 0.86 N ATOM 352 CA LYS A 23 6.607 -7.870 -2.312 1.00 0.86 C ATOM 353 C LYS A 23 5.969 -7.482 -0.975 1.00 0.74 C ATOM 354 O LYS A 23 5.379 -8.322 -0.299 1.00 0.74 O ATOM 355 CB LYS A 23 8.142 -7.804 -2.258 1.00 0.91 C ATOM 356 CG LYS A 23 8.859 -7.899 -3.615 1.00 1.62 C ATOM 357 CD LYS A 23 8.930 -9.317 -4.192 1.00 1.51 C ATOM 358 CE LYS A 23 9.881 -9.334 -5.405 1.00 2.10 C ATOM 359 NZ LYS A 23 9.291 -8.750 -6.628 1.00 2.82 N ATOM 0 H LYS A 23 6.788 -6.376 -3.728 1.00 0.86 H new ATOM 0 HA LYS A 23 6.349 -8.906 -2.532 1.00 0.86 H new ATOM 0 HB2 LYS A 23 8.431 -6.868 -1.779 1.00 0.91 H new ATOM 0 HB3 LYS A 23 8.500 -8.612 -1.620 1.00 0.91 H new ATOM 0 HG2 LYS A 23 8.347 -7.254 -4.329 1.00 1.62 H new ATOM 0 HG3 LYS A 23 9.872 -7.513 -3.505 1.00 1.62 H new ATOM 0 HD2 LYS A 23 9.282 -10.013 -3.431 1.00 1.51 H new ATOM 0 HD3 LYS A 23 7.936 -9.649 -4.492 1.00 1.51 H new ATOM 0 HE2 LYS A 23 10.789 -8.786 -5.152 1.00 2.10 H new ATOM 0 HE3 LYS A 23 10.177 -10.363 -5.610 1.00 2.10 H new ATOM 0 HZ1 LYS A 23 10.019 -8.685 -7.368 1.00 2.82 H new ATOM 0 HZ2 LYS A 23 8.512 -9.354 -6.960 1.00 2.82 H new ATOM 0 HZ3 LYS A 23 8.926 -7.799 -6.417 1.00 2.82 H new ATOM 373 N ALA A 24 6.065 -6.199 -0.612 1.00 0.69 N ATOM 374 CA ALA A 24 5.483 -5.687 0.626 1.00 0.61 C ATOM 375 C ALA A 24 4.002 -6.028 0.686 1.00 0.59 C ATOM 376 O ALA A 24 3.523 -6.567 1.678 1.00 0.60 O ATOM 377 CB ALA A 24 5.664 -4.173 0.728 1.00 0.66 C ATOM 0 H ALA A 24 6.547 -5.492 -1.167 1.00 0.69 H new ATOM 0 HA ALA A 24 5.999 -6.157 1.463 1.00 0.61 H new ATOM 0 HB1 ALA A 24 5.222 -3.816 1.658 1.00 0.66 H new ATOM 0 HB2 ALA A 24 6.727 -3.932 0.715 1.00 0.66 H new ATOM 0 HB3 ALA A 24 5.172 -3.690 -0.116 1.00 0.66 H new ATOM 383 N TYR A 25 3.287 -5.745 -0.401 1.00 0.66 N ATOM 384 CA TYR A 25 1.879 -6.058 -0.518 1.00 0.79 C ATOM 385 C TYR A 25 1.666 -7.539 -0.229 1.00 0.90 C ATOM 386 O TYR A 25 0.853 -7.874 0.622 1.00 0.95 O ATOM 387 CB TYR A 25 1.364 -5.670 -1.907 1.00 0.92 C ATOM 388 CG TYR A 25 -0.078 -6.066 -2.153 1.00 1.05 C ATOM 389 CD1 TYR A 25 -1.119 -5.362 -1.521 1.00 1.48 C ATOM 390 CD2 TYR A 25 -0.378 -7.171 -2.971 1.00 2.76 C ATOM 391 CE1 TYR A 25 -2.456 -5.716 -1.766 1.00 1.46 C ATOM 392 CE2 TYR A 25 -1.716 -7.534 -3.201 1.00 3.02 C ATOM 393 CZ TYR A 25 -2.755 -6.780 -2.633 1.00 1.60 C ATOM 394 OH TYR A 25 -4.058 -7.121 -2.846 1.00 1.93 O ATOM 0 H TYR A 25 3.678 -5.289 -1.226 1.00 0.66 H new ATOM 0 HA TYR A 25 1.309 -5.482 0.212 1.00 0.79 H new ATOM 0 HB2 TYR A 25 1.462 -4.592 -2.033 1.00 0.92 H new ATOM 0 HB3 TYR A 25 1.994 -6.138 -2.663 1.00 0.92 H new ATOM 0 HD1 TYR A 25 -0.890 -4.549 -0.847 1.00 1.48 H new ATOM 0 HD2 TYR A 25 0.421 -7.741 -3.422 1.00 2.76 H new ATOM 0 HE1 TYR A 25 -3.255 -5.169 -1.287 1.00 1.46 H new ATOM 0 HE2 TYR A 25 -1.945 -8.393 -3.815 1.00 3.02 H new ATOM 0 HH TYR A 25 -4.101 -7.875 -3.471 1.00 1.93 H new ATOM 404 N LYS A 26 2.403 -8.434 -0.894 1.00 0.97 N ATOM 405 CA LYS A 26 2.238 -9.858 -0.652 1.00 1.09 C ATOM 406 C LYS A 26 2.443 -10.197 0.824 1.00 0.95 C ATOM 407 O LYS A 26 1.761 -11.073 1.349 1.00 1.21 O ATOM 408 CB LYS A 26 3.099 -10.709 -1.607 1.00 1.24 C ATOM 409 CG LYS A 26 4.446 -11.256 -1.096 1.00 2.68 C ATOM 410 CD LYS A 26 4.475 -12.775 -0.846 1.00 3.52 C ATOM 411 CE LYS A 26 3.596 -13.324 0.295 1.00 4.06 C ATOM 412 NZ LYS A 26 2.150 -13.384 -0.024 1.00 4.20 N ATOM 0 H LYS A 26 3.107 -8.196 -1.592 1.00 0.97 H new ATOM 0 HA LYS A 26 1.206 -10.122 -0.883 1.00 1.09 H new ATOM 0 HB2 LYS A 26 2.497 -11.559 -1.927 1.00 1.24 H new ATOM 0 HB3 LYS A 26 3.301 -10.109 -2.494 1.00 1.24 H new ATOM 0 HG2 LYS A 26 5.221 -11.007 -1.820 1.00 2.68 H new ATOM 0 HG3 LYS A 26 4.701 -10.745 -0.168 1.00 2.68 H new ATOM 0 HD2 LYS A 26 4.179 -13.274 -1.769 1.00 3.52 H new ATOM 0 HD3 LYS A 26 5.507 -13.063 -0.645 1.00 3.52 H new ATOM 0 HE2 LYS A 26 3.941 -14.325 0.554 1.00 4.06 H new ATOM 0 HE3 LYS A 26 3.736 -12.700 1.178 1.00 4.06 H new ATOM 0 HZ1 LYS A 26 1.732 -14.228 0.417 1.00 4.20 H new ATOM 0 HZ2 LYS A 26 1.678 -12.532 0.341 1.00 4.20 H new ATOM 0 HZ3 LYS A 26 2.024 -13.434 -1.055 1.00 4.20 H new ATOM 426 N ARG A 27 3.425 -9.568 1.470 1.00 0.70 N ATOM 427 CA ARG A 27 3.766 -9.835 2.854 1.00 0.71 C ATOM 428 C ARG A 27 2.591 -9.407 3.733 1.00 0.72 C ATOM 429 O ARG A 27 2.008 -10.211 4.458 1.00 0.94 O ATOM 430 CB ARG A 27 5.066 -9.091 3.207 1.00 0.79 C ATOM 431 CG ARG A 27 5.646 -9.554 4.547 1.00 1.89 C ATOM 432 CD ARG A 27 6.698 -8.572 5.078 1.00 2.25 C ATOM 433 NE ARG A 27 7.848 -8.403 4.172 1.00 2.49 N ATOM 434 CZ ARG A 27 9.055 -7.957 4.565 1.00 3.70 C ATOM 435 NH1 ARG A 27 9.231 -7.491 5.803 1.00 4.70 N ATOM 436 NH2 ARG A 27 10.085 -7.993 3.723 1.00 4.84 N ATOM 0 H ARG A 27 4.008 -8.852 1.036 1.00 0.70 H new ATOM 0 HA ARG A 27 3.944 -10.897 3.022 1.00 0.71 H new ATOM 0 HB2 ARG A 27 5.801 -9.252 2.419 1.00 0.79 H new ATOM 0 HB3 ARG A 27 4.871 -8.019 3.247 1.00 0.79 H new ATOM 0 HG2 ARG A 27 4.842 -9.656 5.276 1.00 1.89 H new ATOM 0 HG3 ARG A 27 6.095 -10.540 4.428 1.00 1.89 H new ATOM 0 HD2 ARG A 27 6.229 -7.602 5.243 1.00 2.25 H new ATOM 0 HD3 ARG A 27 7.056 -8.922 6.046 1.00 2.25 H new ATOM 0 HE ARG A 27 7.721 -8.638 3.188 1.00 2.49 H new ATOM 0 HH11 ARG A 27 8.448 -7.472 6.457 1.00 4.70 H new ATOM 0 HH12 ARG A 27 10.148 -7.154 6.096 1.00 4.70 H new ATOM 0 HH21 ARG A 27 9.960 -8.359 2.779 1.00 4.84 H new ATOM 0 HH22 ARG A 27 11.000 -7.655 4.022 1.00 4.84 H new ATOM 450 N LEU A 28 2.228 -8.132 3.671 1.00 0.61 N ATOM 451 CA LEU A 28 1.183 -7.594 4.519 1.00 0.67 C ATOM 452 C LEU A 28 -0.166 -8.240 4.240 1.00 0.79 C ATOM 453 O LEU A 28 -0.947 -8.453 5.161 1.00 1.00 O ATOM 454 CB LEU A 28 1.130 -6.067 4.431 1.00 0.64 C ATOM 455 CG LEU A 28 1.471 -5.462 5.798 1.00 1.46 C ATOM 456 CD1 LEU A 28 1.785 -3.985 5.635 1.00 2.02 C ATOM 457 CD2 LEU A 28 0.319 -5.632 6.789 1.00 2.47 C ATOM 0 H LEU A 28 2.647 -7.452 3.037 1.00 0.61 H new ATOM 0 HA LEU A 28 1.433 -7.846 5.550 1.00 0.67 H new ATOM 0 HB2 LEU A 28 1.834 -5.711 3.679 1.00 0.64 H new ATOM 0 HB3 LEU A 28 0.137 -5.745 4.117 1.00 0.64 H new ATOM 0 HG LEU A 28 2.339 -5.989 6.194 1.00 1.46 H new ATOM 0 HD11 LEU A 28 2.027 -3.555 6.607 1.00 2.02 H new ATOM 0 HD12 LEU A 28 2.635 -3.866 4.963 1.00 2.02 H new ATOM 0 HD13 LEU A 28 0.918 -3.473 5.218 1.00 2.02 H new ATOM 0 HD21 LEU A 28 0.595 -5.192 7.747 1.00 2.47 H new ATOM 0 HD22 LEU A 28 -0.570 -5.133 6.403 1.00 2.47 H new ATOM 0 HD23 LEU A 28 0.109 -6.693 6.924 1.00 2.47 H new ATOM 469 N ALA A 29 -0.435 -8.581 2.985 1.00 0.83 N ATOM 470 CA ALA A 29 -1.690 -9.186 2.588 1.00 1.11 C ATOM 471 C ALA A 29 -1.980 -10.469 3.370 1.00 1.22 C ATOM 472 O ALA A 29 -3.149 -10.771 3.593 1.00 1.71 O ATOM 473 CB ALA A 29 -1.673 -9.477 1.087 1.00 1.27 C ATOM 0 H ALA A 29 0.218 -8.443 2.214 1.00 0.83 H new ATOM 0 HA ALA A 29 -2.487 -8.478 2.816 1.00 1.11 H new ATOM 0 HB1 ALA A 29 -2.619 -9.932 0.794 1.00 1.27 H new ATOM 0 HB2 ALA A 29 -1.532 -8.546 0.538 1.00 1.27 H new ATOM 0 HB3 ALA A 29 -0.855 -10.161 0.858 1.00 1.27 H new ATOM 479 N MET A 30 -0.948 -11.226 3.766 1.00 0.99 N ATOM 480 CA MET A 30 -1.073 -12.367 4.651 1.00 1.18 C ATOM 481 C MET A 30 -0.961 -11.946 6.121 1.00 1.22 C ATOM 482 O MET A 30 -1.694 -12.444 6.975 1.00 1.61 O ATOM 483 CB MET A 30 -0.110 -13.506 4.271 1.00 1.47 C ATOM 484 CG MET A 30 1.368 -13.104 4.211 1.00 1.83 C ATOM 485 SD MET A 30 2.542 -14.379 3.698 1.00 2.47 S ATOM 486 CE MET A 30 2.342 -15.579 5.025 1.00 3.74 C ATOM 0 H MET A 30 0.012 -11.050 3.468 1.00 0.99 H new ATOM 0 HA MET A 30 -2.074 -12.778 4.522 1.00 1.18 H new ATOM 0 HB2 MET A 30 -0.223 -14.315 4.993 1.00 1.47 H new ATOM 0 HB3 MET A 30 -0.404 -13.903 3.299 1.00 1.47 H new ATOM 0 HG2 MET A 30 1.463 -12.261 3.527 1.00 1.83 H new ATOM 0 HG3 MET A 30 1.663 -12.748 5.198 1.00 1.83 H new ATOM 0 HE1 MET A 30 3.111 -16.347 4.940 1.00 3.74 H new ATOM 0 HE2 MET A 30 2.437 -15.076 5.987 1.00 3.74 H new ATOM 0 HE3 MET A 30 1.358 -16.041 4.952 1.00 3.74 H new ATOM 496 N LYS A 31 -0.031 -11.037 6.430 1.00 1.07 N ATOM 497 CA LYS A 31 0.230 -10.576 7.792 1.00 1.21 C ATOM 498 C LYS A 31 -1.073 -10.059 8.424 1.00 1.35 C ATOM 499 O LYS A 31 -1.364 -10.352 9.582 1.00 1.67 O ATOM 500 CB LYS A 31 1.340 -9.505 7.754 1.00 1.26 C ATOM 501 CG LYS A 31 2.226 -9.393 9.006 1.00 1.37 C ATOM 502 CD LYS A 31 3.407 -8.418 8.799 1.00 2.06 C ATOM 503 CE LYS A 31 2.981 -6.942 8.904 1.00 2.61 C ATOM 504 NZ LYS A 31 4.020 -5.977 8.467 1.00 4.16 N ATOM 0 H LYS A 31 0.567 -10.597 5.731 1.00 1.07 H new ATOM 0 HA LYS A 31 0.582 -11.396 8.418 1.00 1.21 H new ATOM 0 HB2 LYS A 31 1.983 -9.710 6.898 1.00 1.26 H new ATOM 0 HB3 LYS A 31 0.874 -8.536 7.578 1.00 1.26 H new ATOM 0 HG2 LYS A 31 1.622 -9.056 9.848 1.00 1.37 H new ATOM 0 HG3 LYS A 31 2.612 -10.379 9.266 1.00 1.37 H new ATOM 0 HD2 LYS A 31 4.178 -8.624 9.542 1.00 2.06 H new ATOM 0 HD3 LYS A 31 3.852 -8.595 7.820 1.00 2.06 H new ATOM 0 HE2 LYS A 31 2.084 -6.791 8.303 1.00 2.61 H new ATOM 0 HE3 LYS A 31 2.712 -6.726 9.938 1.00 2.61 H new ATOM 0 HZ1 LYS A 31 3.658 -5.007 8.568 1.00 4.16 H new ATOM 0 HZ2 LYS A 31 4.870 -6.092 9.055 1.00 4.16 H new ATOM 0 HZ3 LYS A 31 4.262 -6.155 7.471 1.00 4.16 H new ATOM 518 N TYR A 32 -1.871 -9.327 7.650 1.00 1.38 N ATOM 519 CA TYR A 32 -3.138 -8.735 8.037 1.00 1.81 C ATOM 520 C TYR A 32 -4.161 -8.976 6.929 1.00 2.42 C ATOM 521 O TYR A 32 -4.794 -8.054 6.419 1.00 3.40 O ATOM 522 CB TYR A 32 -2.918 -7.249 8.323 1.00 1.84 C ATOM 523 CG TYR A 32 -2.435 -6.988 9.729 1.00 2.10 C ATOM 524 CD1 TYR A 32 -3.362 -7.033 10.782 1.00 3.60 C ATOM 525 CD2 TYR A 32 -1.076 -6.756 10.002 1.00 3.26 C ATOM 526 CE1 TYR A 32 -2.959 -6.693 12.081 1.00 5.39 C ATOM 527 CE2 TYR A 32 -0.673 -6.419 11.304 1.00 4.95 C ATOM 528 CZ TYR A 32 -1.623 -6.351 12.333 1.00 5.87 C ATOM 529 OH TYR A 32 -1.277 -5.813 13.534 1.00 7.78 O ATOM 0 H TYR A 32 -1.631 -9.122 6.680 1.00 1.38 H new ATOM 0 HA TYR A 32 -3.530 -9.193 8.945 1.00 1.81 H new ATOM 0 HB2 TYR A 32 -2.191 -6.851 7.615 1.00 1.84 H new ATOM 0 HB3 TYR A 32 -3.851 -6.710 8.159 1.00 1.84 H new ATOM 0 HD1 TYR A 32 -4.383 -7.329 10.592 1.00 3.60 H new ATOM 0 HD2 TYR A 32 -0.344 -6.837 9.212 1.00 3.26 H new ATOM 0 HE1 TYR A 32 -3.678 -6.695 12.887 1.00 5.39 H new ATOM 0 HE2 TYR A 32 0.366 -6.213 11.512 1.00 4.95 H new ATOM 0 HH TYR A 32 -0.314 -5.634 13.547 1.00 7.78 H new ATOM 539 N HIS A 33 -4.329 -10.242 6.563 1.00 2.11 N ATOM 540 CA HIS A 33 -5.411 -10.640 5.676 1.00 2.66 C ATOM 541 C HIS A 33 -6.771 -10.269 6.294 1.00 3.11 C ATOM 542 O HIS A 33 -6.967 -10.493 7.491 1.00 3.26 O ATOM 543 CB HIS A 33 -5.320 -12.148 5.415 1.00 2.88 C ATOM 544 CG HIS A 33 -6.098 -12.564 4.197 1.00 3.56 C ATOM 545 ND1 HIS A 33 -5.603 -12.611 2.915 1.00 4.53 N ATOM 546 CD2 HIS A 33 -7.457 -12.706 4.120 1.00 4.25 C ATOM 547 CE1 HIS A 33 -6.649 -12.770 2.088 1.00 5.10 C ATOM 548 NE2 HIS A 33 -7.808 -12.836 2.771 1.00 4.94 N ATOM 0 H HIS A 33 -3.729 -11.008 6.868 1.00 2.11 H new ATOM 0 HA HIS A 33 -5.320 -10.111 4.727 1.00 2.66 H new ATOM 0 HB2 HIS A 33 -4.275 -12.430 5.290 1.00 2.88 H new ATOM 0 HB3 HIS A 33 -5.694 -12.688 6.285 1.00 2.88 H new ATOM 0 HD2 HIS A 33 -8.141 -12.716 4.956 1.00 4.25 H new ATOM 0 HE1 HIS A 33 -6.571 -12.836 1.013 1.00 5.10 H new ATOM 0 HE2 HIS A 33 -8.745 -12.956 2.386 1.00 4.94 H new ATOM 556 N PRO A 34 -7.727 -9.725 5.522 1.00 3.51 N ATOM 557 CA PRO A 34 -9.067 -9.438 6.013 1.00 3.98 C ATOM 558 C PRO A 34 -9.884 -10.734 6.102 1.00 4.15 C ATOM 559 O PRO A 34 -10.826 -10.941 5.337 1.00 4.95 O ATOM 560 CB PRO A 34 -9.650 -8.452 4.999 1.00 4.53 C ATOM 561 CG PRO A 34 -9.012 -8.918 3.693 1.00 4.44 C ATOM 562 CD PRO A 34 -7.597 -9.288 4.140 1.00 3.75 C ATOM 0 HA PRO A 34 -9.075 -9.015 7.017 1.00 3.98 H new ATOM 0 HB2 PRO A 34 -10.738 -8.502 4.961 1.00 4.53 H new ATOM 0 HB3 PRO A 34 -9.387 -7.421 5.236 1.00 4.53 H new ATOM 0 HG2 PRO A 34 -9.539 -9.770 3.263 1.00 4.44 H new ATOM 0 HG3 PRO A 34 -9.008 -8.132 2.938 1.00 4.44 H new ATOM 0 HD2 PRO A 34 -7.183 -10.080 3.516 1.00 3.75 H new ATOM 0 HD3 PRO A 34 -6.924 -8.434 4.060 1.00 3.75 H new ATOM 570 N ASP A 35 -9.529 -11.620 7.033 1.00 3.78 N ATOM 571 CA ASP A 35 -10.315 -12.807 7.365 1.00 4.08 C ATOM 572 C ASP A 35 -11.498 -12.357 8.226 1.00 4.25 C ATOM 573 O ASP A 35 -12.166 -11.384 7.881 1.00 5.40 O ATOM 574 CB ASP A 35 -9.425 -13.911 7.964 1.00 4.15 C ATOM 575 CG ASP A 35 -8.695 -14.655 6.865 1.00 4.92 C ATOM 576 OD1 ASP A 35 -9.382 -15.389 6.117 1.00 5.90 O ATOM 577 OD2 ASP A 35 -7.472 -14.477 6.724 1.00 5.44 O ATOM 0 H ASP A 35 -8.676 -11.531 7.585 1.00 3.78 H new ATOM 0 HA ASP A 35 -10.735 -13.283 6.479 1.00 4.08 H new ATOM 0 HB2 ASP A 35 -8.705 -13.472 8.655 1.00 4.15 H new ATOM 0 HB3 ASP A 35 -10.035 -14.607 8.540 1.00 4.15 H new ATOM 582 N ARG A 36 -11.791 -13.036 9.338 1.00 3.50 N ATOM 583 CA ARG A 36 -12.886 -12.700 10.248 1.00 3.60 C ATOM 584 C ARG A 36 -12.515 -11.459 11.067 1.00 3.47 C ATOM 585 O ARG A 36 -12.436 -11.493 12.296 1.00 3.70 O ATOM 586 CB ARG A 36 -13.217 -13.885 11.171 1.00 3.73 C ATOM 587 CG ARG A 36 -11.986 -14.554 11.813 1.00 3.80 C ATOM 588 CD ARG A 36 -12.115 -14.608 13.339 1.00 4.78 C ATOM 589 NE ARG A 36 -13.360 -15.251 13.772 1.00 5.72 N ATOM 590 CZ ARG A 36 -13.769 -15.317 15.045 1.00 6.90 C ATOM 591 NH1 ARG A 36 -13.049 -14.799 16.038 1.00 7.21 N ATOM 592 NH2 ARG A 36 -14.929 -15.898 15.322 1.00 8.36 N ATOM 0 H ARG A 36 -11.260 -13.854 9.637 1.00 3.50 H new ATOM 0 HA ARG A 36 -13.777 -12.481 9.659 1.00 3.60 H new ATOM 0 HB2 ARG A 36 -13.882 -13.539 11.963 1.00 3.73 H new ATOM 0 HB3 ARG A 36 -13.765 -14.633 10.599 1.00 3.73 H new ATOM 0 HG2 ARG A 36 -11.872 -15.564 11.419 1.00 3.80 H new ATOM 0 HG3 ARG A 36 -11.086 -14.002 11.541 1.00 3.80 H new ATOM 0 HD2 ARG A 36 -11.266 -15.151 13.754 1.00 4.78 H new ATOM 0 HD3 ARG A 36 -12.073 -13.596 13.741 1.00 4.78 H new ATOM 0 HE ARG A 36 -13.952 -15.675 13.058 1.00 5.72 H new ATOM 0 HH11 ARG A 36 -12.162 -14.338 15.838 1.00 7.21 H new ATOM 0 HH12 ARG A 36 -13.385 -14.864 16.999 1.00 7.21 H new ATOM 0 HH21 ARG A 36 -15.497 -16.287 14.569 1.00 8.36 H new ATOM 0 HH22 ARG A 36 -15.253 -15.955 16.287 1.00 8.36 H new ATOM 606 N ASN A 37 -12.268 -10.357 10.376 1.00 3.59 N ATOM 607 CA ASN A 37 -11.714 -9.117 10.896 1.00 3.58 C ATOM 608 C ASN A 37 -12.801 -8.091 11.234 1.00 3.92 C ATOM 609 O ASN A 37 -12.495 -6.979 11.662 1.00 4.19 O ATOM 610 CB ASN A 37 -10.696 -8.569 9.890 1.00 3.69 C ATOM 611 CG ASN A 37 -11.343 -7.807 8.734 1.00 5.02 C ATOM 612 OD1 ASN A 37 -11.303 -6.582 8.676 1.00 6.04 O ATOM 613 ND2 ASN A 37 -11.934 -8.513 7.780 1.00 5.74 N ATOM 0 H ASN A 37 -12.461 -10.302 9.376 1.00 3.59 H new ATOM 0 HA ASN A 37 -11.208 -9.324 11.839 1.00 3.58 H new ATOM 0 HB2 ASN A 37 -10.002 -7.908 10.409 1.00 3.69 H new ATOM 0 HB3 ASN A 37 -10.110 -9.396 9.489 1.00 3.69 H new ATOM 0 HD21 ASN A 37 -12.363 -8.038 6.985 1.00 5.74 H new ATOM 0 HD22 ASN A 37 -11.960 -9.531 7.841 1.00 5.74 H new ATOM 620 N GLN A 38 -14.071 -8.484 11.100 1.00 4.31 N ATOM 621 CA GLN A 38 -15.199 -7.711 11.600 1.00 4.70 C ATOM 622 C GLN A 38 -15.149 -7.613 13.133 1.00 3.89 C ATOM 623 O GLN A 38 -14.192 -8.053 13.775 1.00 3.74 O ATOM 624 CB GLN A 38 -16.536 -8.253 11.042 1.00 5.78 C ATOM 625 CG GLN A 38 -16.757 -9.776 10.945 1.00 5.47 C ATOM 626 CD GLN A 38 -16.802 -10.532 12.270 1.00 5.35 C ATOM 627 OE1 GLN A 38 -16.102 -10.204 13.219 1.00 5.62 O ATOM 628 NE2 GLN A 38 -17.597 -11.591 12.366 1.00 5.79 N ATOM 0 H GLN A 38 -14.341 -9.353 10.638 1.00 4.31 H new ATOM 0 HA GLN A 38 -15.128 -6.687 11.233 1.00 4.70 H new ATOM 0 HB2 GLN A 38 -17.337 -7.846 11.659 1.00 5.78 H new ATOM 0 HB3 GLN A 38 -16.664 -7.840 10.041 1.00 5.78 H new ATOM 0 HG2 GLN A 38 -17.693 -9.954 10.416 1.00 5.47 H new ATOM 0 HG3 GLN A 38 -15.960 -10.200 10.334 1.00 5.47 H new ATOM 0 HE21 GLN A 38 -18.180 -11.864 11.575 1.00 5.79 H new ATOM 0 HE22 GLN A 38 -17.625 -12.131 13.231 1.00 5.79 H new ATOM 637 N GLY A 39 -16.182 -7.047 13.746 1.00 4.08 N ATOM 638 CA GLY A 39 -16.230 -6.761 15.164 1.00 4.02 C ATOM 639 C GLY A 39 -15.523 -5.432 15.342 1.00 3.94 C ATOM 640 O GLY A 39 -16.130 -4.412 15.668 1.00 4.10 O ATOM 0 H GLY A 39 -17.030 -6.769 13.252 1.00 4.08 H new ATOM 0 HA2 GLY A 39 -17.260 -6.706 15.517 1.00 4.02 H new ATOM 0 HA3 GLY A 39 -15.737 -7.546 15.738 1.00 4.02 H new ATOM 644 N ASP A 40 -14.227 -5.451 15.060 1.00 3.80 N ATOM 645 CA ASP A 40 -13.332 -4.348 15.273 1.00 3.84 C ATOM 646 C ASP A 40 -13.565 -3.253 14.235 1.00 3.71 C ATOM 647 O ASP A 40 -14.096 -2.193 14.570 1.00 5.15 O ATOM 648 CB ASP A 40 -11.873 -4.815 15.334 1.00 3.92 C ATOM 649 CG ASP A 40 -11.006 -3.675 15.825 1.00 4.34 C ATOM 650 OD1 ASP A 40 -11.095 -2.574 15.252 1.00 4.92 O ATOM 651 OD2 ASP A 40 -10.310 -3.852 16.842 1.00 4.70 O ATOM 0 H ASP A 40 -13.765 -6.269 14.663 1.00 3.80 H new ATOM 0 HA ASP A 40 -13.549 -3.909 16.247 1.00 3.84 H new ATOM 0 HB2 ASP A 40 -11.780 -5.672 16.001 1.00 3.92 H new ATOM 0 HB3 ASP A 40 -11.542 -5.141 14.348 1.00 3.92 H new ATOM 656 N LYS A 41 -13.164 -3.545 12.996 1.00 2.38 N ATOM 657 CA LYS A 41 -13.166 -2.681 11.820 1.00 2.02 C ATOM 658 C LYS A 41 -11.800 -2.029 11.576 1.00 1.73 C ATOM 659 O LYS A 41 -11.489 -1.758 10.416 1.00 1.54 O ATOM 660 CB LYS A 41 -14.347 -1.698 11.772 1.00 2.45 C ATOM 661 CG LYS A 41 -14.710 -1.252 10.340 1.00 3.28 C ATOM 662 CD LYS A 41 -14.021 0.010 9.782 1.00 4.57 C ATOM 663 CE LYS A 41 -13.992 1.208 10.737 1.00 5.01 C ATOM 664 NZ LYS A 41 -15.339 1.632 11.161 1.00 5.02 N ATOM 0 H LYS A 41 -12.799 -4.471 12.774 1.00 2.38 H new ATOM 0 HA LYS A 41 -13.338 -3.336 10.966 1.00 2.02 H new ATOM 0 HB2 LYS A 41 -15.218 -2.164 12.232 1.00 2.45 H new ATOM 0 HB3 LYS A 41 -14.104 -0.819 12.369 1.00 2.45 H new ATOM 0 HG2 LYS A 41 -14.489 -2.080 9.666 1.00 3.28 H new ATOM 0 HG3 LYS A 41 -15.787 -1.089 10.303 1.00 3.28 H new ATOM 0 HD2 LYS A 41 -12.996 -0.244 9.510 1.00 4.57 H new ATOM 0 HD3 LYS A 41 -14.529 0.308 8.865 1.00 4.57 H new ATOM 0 HE2 LYS A 41 -13.403 0.951 11.617 1.00 5.01 H new ATOM 0 HE3 LYS A 41 -13.489 2.043 10.250 1.00 5.01 H new ATOM 0 HZ1 LYS A 41 -15.260 2.445 11.805 1.00 5.02 H new ATOM 0 HZ2 LYS A 41 -15.896 1.905 10.326 1.00 5.02 H new ATOM 0 HZ3 LYS A 41 -15.812 0.846 11.651 1.00 5.02 H new ATOM 678 N GLU A 42 -10.948 -1.811 12.592 1.00 1.74 N ATOM 679 CA GLU A 42 -9.633 -1.210 12.348 1.00 1.56 C ATOM 680 C GLU A 42 -8.904 -1.974 11.248 1.00 1.43 C ATOM 681 O GLU A 42 -8.258 -1.389 10.389 1.00 1.26 O ATOM 682 CB GLU A 42 -8.781 -1.054 13.623 1.00 1.72 C ATOM 683 CG GLU A 42 -8.015 -2.316 14.064 1.00 2.10 C ATOM 684 CD GLU A 42 -6.894 -2.011 15.031 1.00 2.61 C ATOM 685 OE1 GLU A 42 -7.169 -1.629 16.184 1.00 3.09 O ATOM 686 OE2 GLU A 42 -5.732 -2.042 14.573 1.00 3.50 O ATOM 0 H GLU A 42 -11.143 -2.037 13.567 1.00 1.74 H new ATOM 0 HA GLU A 42 -9.802 -0.189 12.005 1.00 1.56 H new ATOM 0 HB2 GLU A 42 -8.062 -0.250 13.463 1.00 1.72 H new ATOM 0 HB3 GLU A 42 -9.432 -0.741 14.439 1.00 1.72 H new ATOM 0 HG2 GLU A 42 -8.711 -3.014 14.530 1.00 2.10 H new ATOM 0 HG3 GLU A 42 -7.605 -2.813 13.185 1.00 2.10 H new ATOM 693 N ALA A 43 -9.037 -3.298 11.278 1.00 1.57 N ATOM 694 CA ALA A 43 -8.462 -4.206 10.326 1.00 1.55 C ATOM 695 C ALA A 43 -8.827 -3.840 8.893 1.00 1.37 C ATOM 696 O ALA A 43 -7.965 -3.888 8.018 1.00 1.20 O ATOM 697 CB ALA A 43 -8.910 -5.622 10.661 1.00 1.89 C ATOM 0 H ALA A 43 -9.574 -3.774 12.003 1.00 1.57 H new ATOM 0 HA ALA A 43 -7.376 -4.139 10.393 1.00 1.55 H new ATOM 0 HB1 ALA A 43 -8.478 -6.320 9.943 1.00 1.89 H new ATOM 0 HB2 ALA A 43 -8.575 -5.881 11.665 1.00 1.89 H new ATOM 0 HB3 ALA A 43 -9.997 -5.680 10.614 1.00 1.89 H new ATOM 703 N GLU A 44 -10.085 -3.464 8.642 1.00 1.49 N ATOM 704 CA GLU A 44 -10.468 -3.035 7.311 1.00 1.41 C ATOM 705 C GLU A 44 -9.634 -1.809 6.957 1.00 1.10 C ATOM 706 O GLU A 44 -8.999 -1.786 5.913 1.00 0.90 O ATOM 707 CB GLU A 44 -11.974 -2.751 7.184 1.00 1.82 C ATOM 708 CG GLU A 44 -12.334 -2.649 5.691 1.00 2.11 C ATOM 709 CD GLU A 44 -13.716 -2.093 5.441 1.00 2.93 C ATOM 710 OE1 GLU A 44 -14.628 -2.355 6.245 1.00 3.50 O ATOM 711 OE2 GLU A 44 -13.873 -1.411 4.404 1.00 3.92 O ATOM 0 H GLU A 44 -10.835 -3.451 9.333 1.00 1.49 H new ATOM 0 HA GLU A 44 -10.272 -3.844 6.607 1.00 1.41 H new ATOM 0 HB2 GLU A 44 -12.550 -3.546 7.658 1.00 1.82 H new ATOM 0 HB3 GLU A 44 -12.228 -1.824 7.698 1.00 1.82 H new ATOM 0 HG2 GLU A 44 -11.601 -2.016 5.191 1.00 2.11 H new ATOM 0 HG3 GLU A 44 -12.262 -3.639 5.240 1.00 2.11 H new ATOM 718 N ALA A 45 -9.625 -0.787 7.809 1.00 1.15 N ATOM 719 CA ALA A 45 -8.951 0.461 7.519 1.00 1.09 C ATOM 720 C ALA A 45 -7.447 0.247 7.327 1.00 0.82 C ATOM 721 O ALA A 45 -6.828 0.838 6.448 1.00 0.80 O ATOM 722 CB ALA A 45 -9.243 1.470 8.630 1.00 1.31 C ATOM 0 H ALA A 45 -10.087 -0.808 8.718 1.00 1.15 H new ATOM 0 HA ALA A 45 -9.333 0.862 6.580 1.00 1.09 H new ATOM 0 HB1 ALA A 45 -8.735 2.409 8.411 1.00 1.31 H new ATOM 0 HB2 ALA A 45 -10.317 1.644 8.691 1.00 1.31 H new ATOM 0 HB3 ALA A 45 -8.885 1.077 9.582 1.00 1.31 H new ATOM 728 N LYS A 46 -6.858 -0.642 8.118 1.00 0.75 N ATOM 729 CA LYS A 46 -5.473 -1.040 7.949 1.00 0.60 C ATOM 730 C LYS A 46 -5.331 -1.681 6.562 1.00 0.52 C ATOM 731 O LYS A 46 -4.434 -1.350 5.796 1.00 0.53 O ATOM 732 CB LYS A 46 -5.080 -1.985 9.102 1.00 0.78 C ATOM 733 CG LYS A 46 -3.562 -2.174 9.214 1.00 0.90 C ATOM 734 CD LYS A 46 -3.136 -3.229 10.252 1.00 1.90 C ATOM 735 CE LYS A 46 -3.241 -2.814 11.735 1.00 2.65 C ATOM 736 NZ LYS A 46 -4.599 -2.924 12.315 1.00 4.12 N ATOM 0 H LYS A 46 -7.331 -1.105 8.894 1.00 0.75 H new ATOM 0 HA LYS A 46 -4.791 -0.191 7.993 1.00 0.60 H new ATOM 0 HB2 LYS A 46 -5.464 -1.586 10.041 1.00 0.78 H new ATOM 0 HB3 LYS A 46 -5.554 -2.955 8.950 1.00 0.78 H new ATOM 0 HG2 LYS A 46 -3.169 -2.460 8.238 1.00 0.90 H new ATOM 0 HG3 LYS A 46 -3.106 -1.219 9.474 1.00 0.90 H new ATOM 0 HD2 LYS A 46 -3.745 -4.121 10.103 1.00 1.90 H new ATOM 0 HD3 LYS A 46 -2.103 -3.511 10.048 1.00 1.90 H new ATOM 0 HE2 LYS A 46 -2.560 -3.432 12.320 1.00 2.65 H new ATOM 0 HE3 LYS A 46 -2.901 -1.783 11.834 1.00 2.65 H new ATOM 0 HZ1 LYS A 46 -4.717 -2.208 13.060 1.00 4.12 H new ATOM 0 HZ2 LYS A 46 -5.308 -2.769 11.570 1.00 4.12 H new ATOM 0 HZ3 LYS A 46 -4.727 -3.872 12.723 1.00 4.12 H new ATOM 750 N PHE A 47 -6.239 -2.581 6.191 1.00 0.63 N ATOM 751 CA PHE A 47 -6.232 -3.124 4.843 1.00 0.62 C ATOM 752 C PHE A 47 -6.397 -2.014 3.797 1.00 0.51 C ATOM 753 O PHE A 47 -5.797 -2.081 2.726 1.00 0.55 O ATOM 754 CB PHE A 47 -7.247 -4.268 4.704 1.00 0.80 C ATOM 755 CG PHE A 47 -7.127 -5.057 3.412 1.00 0.84 C ATOM 756 CD1 PHE A 47 -5.870 -5.527 2.987 1.00 1.90 C ATOM 757 CD2 PHE A 47 -8.278 -5.379 2.668 1.00 2.14 C ATOM 758 CE1 PHE A 47 -5.747 -6.216 1.772 1.00 2.17 C ATOM 759 CE2 PHE A 47 -8.157 -6.107 1.471 1.00 2.24 C ATOM 760 CZ PHE A 47 -6.892 -6.512 1.016 1.00 1.51 C ATOM 0 H PHE A 47 -6.976 -2.942 6.797 1.00 0.63 H new ATOM 0 HA PHE A 47 -5.256 -3.568 4.647 1.00 0.62 H new ATOM 0 HB2 PHE A 47 -7.125 -4.950 5.545 1.00 0.80 H new ATOM 0 HB3 PHE A 47 -8.254 -3.855 4.772 1.00 0.80 H new ATOM 0 HD1 PHE A 47 -4.997 -5.356 3.599 1.00 1.90 H new ATOM 0 HD2 PHE A 47 -9.252 -5.068 3.016 1.00 2.14 H new ATOM 0 HE1 PHE A 47 -4.772 -6.519 1.418 1.00 2.17 H new ATOM 0 HE2 PHE A 47 -9.040 -6.355 0.900 1.00 2.24 H new ATOM 0 HZ PHE A 47 -6.800 -7.051 0.085 1.00 1.51 H new ATOM 770 N LYS A 48 -7.174 -0.972 4.097 1.00 0.58 N ATOM 771 CA LYS A 48 -7.370 0.147 3.196 1.00 0.71 C ATOM 772 C LYS A 48 -6.070 0.901 2.977 1.00 0.69 C ATOM 773 O LYS A 48 -5.754 1.186 1.827 1.00 0.79 O ATOM 774 CB LYS A 48 -8.476 1.101 3.665 1.00 0.90 C ATOM 775 CG LYS A 48 -9.836 0.410 3.598 1.00 1.02 C ATOM 776 CD LYS A 48 -10.935 1.219 4.306 1.00 1.19 C ATOM 777 CE LYS A 48 -12.089 1.560 3.358 1.00 1.92 C ATOM 778 NZ LYS A 48 -12.713 0.360 2.767 1.00 2.16 N ATOM 0 H LYS A 48 -7.683 -0.887 4.977 1.00 0.58 H new ATOM 0 HA LYS A 48 -7.698 -0.274 2.246 1.00 0.71 H new ATOM 0 HB2 LYS A 48 -8.276 1.427 4.686 1.00 0.90 H new ATOM 0 HB3 LYS A 48 -8.483 1.995 3.041 1.00 0.90 H new ATOM 0 HG2 LYS A 48 -10.114 0.259 2.555 1.00 1.02 H new ATOM 0 HG3 LYS A 48 -9.763 -0.577 4.055 1.00 1.02 H new ATOM 0 HD2 LYS A 48 -11.317 0.650 5.154 1.00 1.19 H new ATOM 0 HD3 LYS A 48 -10.509 2.139 4.706 1.00 1.19 H new ATOM 0 HE2 LYS A 48 -12.845 2.128 3.901 1.00 1.92 H new ATOM 0 HE3 LYS A 48 -11.720 2.204 2.559 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 -13.651 0.606 2.391 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -12.114 0.001 1.996 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -12.815 -0.374 3.497 1.00 2.16 H new ATOM 792 N GLU A 49 -5.328 1.241 4.034 1.00 0.64 N ATOM 793 CA GLU A 49 -4.129 2.044 3.882 1.00 0.69 C ATOM 794 C GLU A 49 -3.106 1.280 3.032 1.00 0.67 C ATOM 795 O GLU A 49 -2.505 1.829 2.106 1.00 0.81 O ATOM 796 CB GLU A 49 -3.627 2.518 5.259 1.00 0.71 C ATOM 797 CG GLU A 49 -2.915 1.476 6.120 1.00 2.00 C ATOM 798 CD GLU A 49 -2.357 2.094 7.377 1.00 1.99 C ATOM 799 OE1 GLU A 49 -1.227 2.617 7.337 1.00 2.88 O ATOM 800 OE2 GLU A 49 -3.068 2.081 8.403 1.00 2.03 O ATOM 0 H GLU A 49 -5.541 0.971 4.994 1.00 0.64 H new ATOM 0 HA GLU A 49 -4.335 2.963 3.333 1.00 0.69 H new ATOM 0 HB2 GLU A 49 -2.947 3.356 5.104 1.00 0.71 H new ATOM 0 HB3 GLU A 49 -4.480 2.899 5.820 1.00 0.71 H new ATOM 0 HG2 GLU A 49 -3.612 0.680 6.382 1.00 2.00 H new ATOM 0 HG3 GLU A 49 -2.108 1.018 5.548 1.00 2.00 H new ATOM 807 N ILE A 50 -2.943 -0.015 3.307 1.00 0.53 N ATOM 808 CA ILE A 50 -2.039 -0.868 2.551 1.00 0.55 C ATOM 809 C ILE A 50 -2.517 -0.923 1.104 1.00 0.60 C ATOM 810 O ILE A 50 -1.740 -0.710 0.172 1.00 0.63 O ATOM 811 CB ILE A 50 -1.991 -2.281 3.149 1.00 0.50 C ATOM 812 CG1 ILE A 50 -1.657 -2.259 4.647 1.00 0.64 C ATOM 813 CG2 ILE A 50 -0.941 -3.139 2.417 1.00 0.64 C ATOM 814 CD1 ILE A 50 -2.136 -3.562 5.288 1.00 0.82 C ATOM 0 H ILE A 50 -3.435 -0.497 4.059 1.00 0.53 H new ATOM 0 HA ILE A 50 -1.031 -0.455 2.595 1.00 0.55 H new ATOM 0 HB ILE A 50 -2.983 -2.713 3.022 1.00 0.50 H new ATOM 0 HG12 ILE A 50 -0.583 -2.142 4.791 1.00 0.64 H new ATOM 0 HG13 ILE A 50 -2.137 -1.406 5.126 1.00 0.64 H new ATOM 0 HG21 ILE A 50 -0.919 -4.138 2.853 1.00 0.64 H new ATOM 0 HG22 ILE A 50 -1.201 -3.210 1.361 1.00 0.64 H new ATOM 0 HG23 ILE A 50 0.041 -2.677 2.519 1.00 0.64 H new ATOM 0 HD11 ILE A 50 -1.901 -3.552 6.352 1.00 0.82 H new ATOM 0 HD12 ILE A 50 -3.214 -3.658 5.155 1.00 0.82 H new ATOM 0 HD13 ILE A 50 -1.635 -4.406 4.814 1.00 0.82 H new ATOM 826 N LYS A 51 -3.800 -1.231 0.905 1.00 0.65 N ATOM 827 CA LYS A 51 -4.353 -1.331 -0.427 1.00 0.77 C ATOM 828 C LYS A 51 -4.171 -0.009 -1.160 1.00 0.84 C ATOM 829 O LYS A 51 -3.940 -0.018 -2.361 1.00 0.87 O ATOM 830 CB LYS A 51 -5.820 -1.767 -0.379 1.00 0.85 C ATOM 831 CG LYS A 51 -6.402 -1.828 -1.801 1.00 1.12 C ATOM 832 CD LYS A 51 -7.778 -2.493 -1.856 1.00 1.94 C ATOM 833 CE LYS A 51 -7.686 -4.004 -1.604 1.00 3.58 C ATOM 834 NZ LYS A 51 -9.002 -4.655 -1.691 1.00 4.80 N ATOM 0 H LYS A 51 -4.467 -1.414 1.655 1.00 0.65 H new ATOM 0 HA LYS A 51 -3.816 -2.100 -0.982 1.00 0.77 H new ATOM 0 HB2 LYS A 51 -5.901 -2.744 0.097 1.00 0.85 H new ATOM 0 HB3 LYS A 51 -6.395 -1.068 0.228 1.00 0.85 H new ATOM 0 HG2 LYS A 51 -6.477 -0.817 -2.200 1.00 1.12 H new ATOM 0 HG3 LYS A 51 -5.714 -2.375 -2.446 1.00 1.12 H new ATOM 0 HD2 LYS A 51 -8.432 -2.039 -1.112 1.00 1.94 H new ATOM 0 HD3 LYS A 51 -8.231 -2.313 -2.831 1.00 1.94 H new ATOM 0 HE2 LYS A 51 -7.010 -4.453 -2.332 1.00 3.58 H new ATOM 0 HE3 LYS A 51 -7.257 -4.182 -0.618 1.00 3.58 H new ATOM 0 HZ1 LYS A 51 -9.145 -5.262 -0.859 1.00 4.80 H new ATOM 0 HZ2 LYS A 51 -9.747 -3.930 -1.722 1.00 4.80 H new ATOM 0 HZ3 LYS A 51 -9.047 -5.234 -2.554 1.00 4.80 H new ATOM 848 N GLU A 52 -4.284 1.114 -0.459 1.00 0.97 N ATOM 849 CA GLU A 52 -4.174 2.420 -1.061 1.00 1.11 C ATOM 850 C GLU A 52 -2.755 2.627 -1.577 1.00 1.10 C ATOM 851 O GLU A 52 -2.586 3.051 -2.714 1.00 1.07 O ATOM 852 CB GLU A 52 -4.624 3.497 -0.081 1.00 1.25 C ATOM 853 CG GLU A 52 -4.781 4.834 -0.804 1.00 1.55 C ATOM 854 CD GLU A 52 -5.588 5.762 0.054 1.00 1.73 C ATOM 855 OE1 GLU A 52 -6.824 5.605 0.038 1.00 2.00 O ATOM 856 OE2 GLU A 52 -4.974 6.577 0.768 1.00 3.07 O ATOM 0 H GLU A 52 -4.455 1.134 0.546 1.00 0.97 H new ATOM 0 HA GLU A 52 -4.840 2.495 -1.920 1.00 1.11 H new ATOM 0 HB2 GLU A 52 -5.570 3.210 0.378 1.00 1.25 H new ATOM 0 HB3 GLU A 52 -3.896 3.594 0.724 1.00 1.25 H new ATOM 0 HG2 GLU A 52 -3.802 5.268 -1.010 1.00 1.55 H new ATOM 0 HG3 GLU A 52 -5.273 4.687 -1.765 1.00 1.55 H new ATOM 863 N ALA A 53 -1.724 2.298 -0.792 1.00 1.18 N ATOM 864 CA ALA A 53 -0.367 2.261 -1.336 1.00 1.30 C ATOM 865 C ALA A 53 -0.356 1.400 -2.602 1.00 1.18 C ATOM 866 O ALA A 53 0.121 1.824 -3.655 1.00 1.34 O ATOM 867 CB ALA A 53 0.636 1.721 -0.310 1.00 1.52 C ATOM 0 H ALA A 53 -1.800 2.059 0.197 1.00 1.18 H new ATOM 0 HA ALA A 53 -0.062 3.278 -1.581 1.00 1.30 H new ATOM 0 HB1 ALA A 53 1.634 1.708 -0.749 1.00 1.52 H new ATOM 0 HB2 ALA A 53 0.636 2.362 0.571 1.00 1.52 H new ATOM 0 HB3 ALA A 53 0.353 0.709 -0.022 1.00 1.52 H new ATOM 873 N TYR A 54 -0.925 0.199 -2.501 1.00 1.00 N ATOM 874 CA TYR A 54 -0.969 -0.760 -3.594 1.00 1.14 C ATOM 875 C TYR A 54 -1.919 -0.362 -4.734 1.00 1.36 C ATOM 876 O TYR A 54 -1.970 -1.061 -5.739 1.00 2.24 O ATOM 877 CB TYR A 54 -1.318 -2.147 -3.045 1.00 1.15 C ATOM 878 CG TYR A 54 -1.059 -3.272 -4.024 1.00 1.27 C ATOM 879 CD1 TYR A 54 0.259 -3.538 -4.427 1.00 2.25 C ATOM 880 CD2 TYR A 54 -2.121 -4.018 -4.568 1.00 2.05 C ATOM 881 CE1 TYR A 54 0.519 -4.553 -5.360 1.00 2.55 C ATOM 882 CE2 TYR A 54 -1.851 -5.078 -5.450 1.00 2.26 C ATOM 883 CZ TYR A 54 -0.533 -5.330 -5.862 1.00 2.01 C ATOM 884 OH TYR A 54 -0.254 -6.376 -6.691 1.00 2.55 O ATOM 0 H TYR A 54 -1.372 -0.135 -1.647 1.00 1.00 H new ATOM 0 HA TYR A 54 0.025 -0.776 -4.042 1.00 1.14 H new ATOM 0 HB2 TYR A 54 -0.739 -2.325 -2.139 1.00 1.15 H new ATOM 0 HB3 TYR A 54 -2.370 -2.161 -2.759 1.00 1.15 H new ATOM 0 HD1 TYR A 54 1.075 -2.960 -4.018 1.00 2.25 H new ATOM 0 HD2 TYR A 54 -3.141 -3.776 -4.308 1.00 2.05 H new ATOM 0 HE1 TYR A 54 1.531 -4.735 -5.691 1.00 2.55 H new ATOM 0 HE2 TYR A 54 -2.658 -5.699 -5.811 1.00 2.26 H new ATOM 0 HH TYR A 54 -1.089 -6.817 -6.953 1.00 2.55 H new ATOM 894 N GLU A 55 -2.685 0.718 -4.611 1.00 0.87 N ATOM 895 CA GLU A 55 -3.501 1.276 -5.662 1.00 0.94 C ATOM 896 C GLU A 55 -2.660 2.374 -6.300 1.00 1.03 C ATOM 897 O GLU A 55 -2.357 2.336 -7.494 1.00 1.34 O ATOM 898 CB GLU A 55 -4.829 1.743 -5.034 1.00 0.98 C ATOM 899 CG GLU A 55 -5.293 3.140 -5.439 1.00 1.24 C ATOM 900 CD GLU A 55 -6.659 3.498 -4.901 1.00 1.83 C ATOM 901 OE1 GLU A 55 -7.171 2.787 -4.012 1.00 2.13 O ATOM 902 OE2 GLU A 55 -7.198 4.499 -5.409 1.00 2.92 O ATOM 0 H GLU A 55 -2.750 1.242 -3.738 1.00 0.87 H new ATOM 0 HA GLU A 55 -3.782 0.576 -6.449 1.00 0.94 H new ATOM 0 HB2 GLU A 55 -5.608 1.029 -5.301 1.00 0.98 H new ATOM 0 HB3 GLU A 55 -4.728 1.713 -3.949 1.00 0.98 H new ATOM 0 HG2 GLU A 55 -4.568 3.873 -5.085 1.00 1.24 H new ATOM 0 HG3 GLU A 55 -5.310 3.208 -6.527 1.00 1.24 H new ATOM 909 N VAL A 56 -2.204 3.310 -5.473 1.00 0.91 N ATOM 910 CA VAL A 56 -1.584 4.532 -5.915 1.00 0.98 C ATOM 911 C VAL A 56 -0.313 4.141 -6.645 1.00 1.05 C ATOM 912 O VAL A 56 -0.180 4.408 -7.835 1.00 1.43 O ATOM 913 CB VAL A 56 -1.288 5.441 -4.705 1.00 0.98 C ATOM 914 CG1 VAL A 56 -0.275 6.534 -5.075 1.00 1.16 C ATOM 915 CG2 VAL A 56 -2.588 6.072 -4.194 1.00 1.02 C ATOM 0 H VAL A 56 -2.261 3.228 -4.458 1.00 0.91 H new ATOM 0 HA VAL A 56 -2.237 5.096 -6.581 1.00 0.98 H new ATOM 0 HB VAL A 56 -0.853 4.830 -3.914 1.00 0.98 H new ATOM 0 HG11 VAL A 56 -0.083 7.162 -4.205 1.00 1.16 H new ATOM 0 HG12 VAL A 56 0.656 6.071 -5.401 1.00 1.16 H new ATOM 0 HG13 VAL A 56 -0.678 7.146 -5.882 1.00 1.16 H new ATOM 0 HG21 VAL A 56 -2.370 6.712 -3.339 1.00 1.02 H new ATOM 0 HG22 VAL A 56 -3.040 6.667 -4.988 1.00 1.02 H new ATOM 0 HG23 VAL A 56 -3.280 5.286 -3.891 1.00 1.02 H new ATOM 925 N LEU A 57 0.606 3.491 -5.940 1.00 0.88 N ATOM 926 CA LEU A 57 1.948 3.272 -6.445 1.00 0.97 C ATOM 927 C LEU A 57 1.959 2.334 -7.646 1.00 1.21 C ATOM 928 O LEU A 57 2.918 2.325 -8.411 1.00 2.03 O ATOM 929 CB LEU A 57 2.865 2.805 -5.312 1.00 0.96 C ATOM 930 CG LEU A 57 3.012 3.898 -4.241 1.00 0.99 C ATOM 931 CD1 LEU A 57 3.706 3.294 -3.024 1.00 1.09 C ATOM 932 CD2 LEU A 57 3.834 5.092 -4.752 1.00 1.18 C ATOM 0 H LEU A 57 0.440 3.105 -5.010 1.00 0.88 H new ATOM 0 HA LEU A 57 2.340 4.219 -6.815 1.00 0.97 H new ATOM 0 HB2 LEU A 57 2.460 1.900 -4.860 1.00 0.96 H new ATOM 0 HB3 LEU A 57 3.845 2.549 -5.714 1.00 0.96 H new ATOM 0 HG LEU A 57 2.018 4.265 -3.984 1.00 0.99 H new ATOM 0 HD11 LEU A 57 3.819 4.057 -2.254 1.00 1.09 H new ATOM 0 HD12 LEU A 57 3.107 2.471 -2.635 1.00 1.09 H new ATOM 0 HD13 LEU A 57 4.689 2.922 -3.313 1.00 1.09 H new ATOM 0 HD21 LEU A 57 3.914 5.842 -3.965 1.00 1.18 H new ATOM 0 HD22 LEU A 57 4.831 4.753 -5.034 1.00 1.18 H new ATOM 0 HD23 LEU A 57 3.340 5.529 -5.620 1.00 1.18 H new ATOM 944 N THR A 58 0.874 1.601 -7.882 1.00 1.29 N ATOM 945 CA THR A 58 0.753 0.703 -9.014 1.00 1.50 C ATOM 946 C THR A 58 0.211 1.459 -10.235 1.00 1.80 C ATOM 947 O THR A 58 -0.635 0.945 -10.966 1.00 2.18 O ATOM 948 CB THR A 58 -0.070 -0.513 -8.576 1.00 1.76 C ATOM 949 OG1 THR A 58 -1.404 -0.155 -8.264 1.00 2.08 O ATOM 950 CG2 THR A 58 0.568 -1.174 -7.345 1.00 1.71 C ATOM 0 H THR A 58 0.049 1.618 -7.283 1.00 1.29 H new ATOM 0 HA THR A 58 1.721 0.321 -9.339 1.00 1.50 H new ATOM 0 HB THR A 58 -0.082 -1.213 -9.412 1.00 1.76 H new ATOM 0 HG1 THR A 58 -1.636 -0.500 -7.377 1.00 2.08 H new ATOM 0 HG21 THR A 58 -0.028 -2.036 -7.045 1.00 1.71 H new ATOM 0 HG22 THR A 58 1.579 -1.499 -7.590 1.00 1.71 H new ATOM 0 HG23 THR A 58 0.606 -0.457 -6.525 1.00 1.71 H new ATOM 958 N ASP A 59 0.745 2.669 -10.452 1.00 2.05 N ATOM 959 CA ASP A 59 0.267 3.684 -11.393 1.00 2.45 C ATOM 960 C ASP A 59 -1.197 4.077 -11.144 1.00 2.92 C ATOM 961 O ASP A 59 -2.095 3.241 -11.252 1.00 4.30 O ATOM 962 CB ASP A 59 0.489 3.234 -12.842 1.00 4.05 C ATOM 963 CG ASP A 59 -0.320 4.080 -13.797 1.00 4.55 C ATOM 964 OD1 ASP A 59 -0.230 5.318 -13.702 1.00 4.58 O ATOM 965 OD2 ASP A 59 -1.033 3.490 -14.631 1.00 5.47 O ATOM 0 H ASP A 59 1.572 2.981 -9.943 1.00 2.05 H new ATOM 0 HA ASP A 59 0.859 4.583 -11.221 1.00 2.45 H new ATOM 0 HB2 ASP A 59 1.547 3.307 -13.092 1.00 4.05 H new ATOM 0 HB3 ASP A 59 0.208 2.186 -12.949 1.00 4.05 H new ATOM 970 N SER A 60 -1.441 5.346 -10.811 1.00 3.21 N ATOM 971 CA SER A 60 -2.765 5.933 -10.728 1.00 4.74 C ATOM 972 C SER A 60 -2.649 7.435 -11.063 1.00 4.30 C ATOM 973 O SER A 60 -2.407 7.788 -12.209 1.00 4.87 O ATOM 974 CB SER A 60 -3.343 5.642 -9.334 1.00 6.36 C ATOM 975 OG SER A 60 -3.566 4.255 -9.126 1.00 7.44 O ATOM 0 H SER A 60 -0.697 6.006 -10.587 1.00 3.21 H new ATOM 0 HA SER A 60 -3.461 5.502 -11.448 1.00 4.74 H new ATOM 0 HB2 SER A 60 -2.658 6.017 -8.573 1.00 6.36 H new ATOM 0 HB3 SER A 60 -4.282 6.182 -9.212 1.00 6.36 H new ATOM 0 HG SER A 60 -2.928 3.917 -8.464 1.00 7.44 H new ATOM 981 N GLN A 61 -2.754 8.330 -10.076 1.00 3.87 N ATOM 982 CA GLN A 61 -2.749 9.779 -10.231 1.00 3.73 C ATOM 983 C GLN A 61 -1.833 10.386 -9.175 1.00 2.83 C ATOM 984 O GLN A 61 -0.901 11.139 -9.461 1.00 2.75 O ATOM 985 CB GLN A 61 -4.183 10.270 -10.002 1.00 4.65 C ATOM 986 CG GLN A 61 -4.190 11.797 -9.954 1.00 4.67 C ATOM 987 CD GLN A 61 -5.584 12.382 -10.074 1.00 5.96 C ATOM 988 OE1 GLN A 61 -5.977 12.811 -11.152 1.00 6.25 O ATOM 989 NE2 GLN A 61 -6.348 12.379 -8.992 1.00 7.12 N ATOM 0 H GLN A 61 -2.849 8.045 -9.101 1.00 3.87 H new ATOM 0 HA GLN A 61 -2.396 10.067 -11.221 1.00 3.73 H new ATOM 0 HB2 GLN A 61 -4.833 9.917 -10.802 1.00 4.65 H new ATOM 0 HB3 GLN A 61 -4.575 9.863 -9.070 1.00 4.65 H new ATOM 0 HG2 GLN A 61 -3.741 12.129 -9.018 1.00 4.67 H new ATOM 0 HG3 GLN A 61 -3.568 12.184 -10.761 1.00 4.67 H new ATOM 0 HE21 GLN A 61 -5.985 12.013 -8.112 1.00 7.12 H new ATOM 0 HE22 GLN A 61 -7.300 12.743 -9.039 1.00 7.12 H new ATOM 998 N LYS A 62 -2.139 10.027 -7.929 1.00 2.68 N ATOM 999 CA LYS A 62 -1.337 10.281 -6.747 1.00 2.20 C ATOM 1000 C LYS A 62 0.125 9.910 -7.036 1.00 1.38 C ATOM 1001 O LYS A 62 1.038 10.634 -6.653 1.00 1.92 O ATOM 1002 CB LYS A 62 -1.981 9.480 -5.602 1.00 2.75 C ATOM 1003 CG LYS A 62 -3.341 10.098 -5.220 1.00 3.61 C ATOM 1004 CD LYS A 62 -4.528 9.119 -5.167 1.00 3.47 C ATOM 1005 CE LYS A 62 -5.849 9.902 -5.331 1.00 4.07 C ATOM 1006 NZ LYS A 62 -7.050 9.082 -5.076 1.00 4.52 N ATOM 0 H LYS A 62 -3.000 9.525 -7.712 1.00 2.68 H new ATOM 0 HA LYS A 62 -1.315 11.331 -6.457 1.00 2.20 H new ATOM 0 HB2 LYS A 62 -2.117 8.442 -5.906 1.00 2.75 H new ATOM 0 HB3 LYS A 62 -1.320 9.474 -4.736 1.00 2.75 H new ATOM 0 HG2 LYS A 62 -3.242 10.573 -4.244 1.00 3.61 H new ATOM 0 HG3 LYS A 62 -3.575 10.886 -5.936 1.00 3.61 H new ATOM 0 HD2 LYS A 62 -4.434 8.374 -5.957 1.00 3.47 H new ATOM 0 HD3 LYS A 62 -4.527 8.581 -4.219 1.00 3.47 H new ATOM 0 HE2 LYS A 62 -5.846 10.752 -4.649 1.00 4.07 H new ATOM 0 HE3 LYS A 62 -5.901 10.305 -6.342 1.00 4.07 H new ATOM 0 HZ1 LYS A 62 -7.902 9.665 -5.202 1.00 4.52 H new ATOM 0 HZ2 LYS A 62 -7.074 8.285 -5.743 1.00 4.52 H new ATOM 0 HZ3 LYS A 62 -7.021 8.718 -4.102 1.00 4.52 H new ATOM 1020 N ARG A 63 0.323 8.844 -7.819 1.00 1.21 N ATOM 1021 CA ARG A 63 1.584 8.328 -8.357 1.00 1.57 C ATOM 1022 C ARG A 63 2.252 9.281 -9.361 1.00 2.04 C ATOM 1023 O ARG A 63 2.903 8.834 -10.299 1.00 3.55 O ATOM 1024 CB ARG A 63 1.247 6.990 -9.039 1.00 2.40 C ATOM 1025 CG ARG A 63 2.346 5.920 -8.992 1.00 3.14 C ATOM 1026 CD ARG A 63 3.353 6.008 -10.141 1.00 4.09 C ATOM 1027 NE ARG A 63 3.948 4.700 -10.456 1.00 4.92 N ATOM 1028 CZ ARG A 63 4.904 4.086 -9.745 1.00 4.83 C ATOM 1029 NH1 ARG A 63 5.402 4.647 -8.643 1.00 4.36 N ATOM 1030 NH2 ARG A 63 5.410 2.920 -10.144 1.00 5.83 N ATOM 0 H ARG A 63 -0.466 8.271 -8.118 1.00 1.21 H new ATOM 0 HA ARG A 63 2.302 8.213 -7.545 1.00 1.57 H new ATOM 0 HB2 ARG A 63 0.350 6.583 -8.573 1.00 2.40 H new ATOM 0 HB3 ARG A 63 1.003 7.187 -10.083 1.00 2.40 H new ATOM 0 HG2 ARG A 63 2.881 6.006 -8.046 1.00 3.14 H new ATOM 0 HG3 ARG A 63 1.880 4.935 -9.006 1.00 3.14 H new ATOM 0 HD2 ARG A 63 2.857 6.403 -11.028 1.00 4.09 H new ATOM 0 HD3 ARG A 63 4.143 6.711 -9.877 1.00 4.09 H new ATOM 0 HE ARG A 63 3.603 4.219 -11.287 1.00 4.92 H new ATOM 0 HH11 ARG A 63 5.056 5.554 -8.332 1.00 4.36 H new ATOM 0 HH12 ARG A 63 6.129 4.169 -8.111 1.00 4.36 H new ATOM 0 HH21 ARG A 63 5.070 2.483 -11.001 1.00 5.83 H new ATOM 0 HH22 ARG A 63 6.137 2.464 -9.593 1.00 5.83 H new ATOM 1044 N ALA A 64 2.096 10.588 -9.213 1.00 1.69 N ATOM 1045 CA ALA A 64 2.631 11.582 -10.121 1.00 2.09 C ATOM 1046 C ALA A 64 2.479 12.935 -9.455 1.00 1.67 C ATOM 1047 O ALA A 64 3.455 13.671 -9.349 1.00 1.65 O ATOM 1048 CB ALA A 64 1.903 11.549 -11.466 1.00 2.95 C ATOM 0 H ALA A 64 1.578 10.994 -8.434 1.00 1.69 H new ATOM 0 HA ALA A 64 3.681 11.377 -10.329 1.00 2.09 H new ATOM 0 HB1 ALA A 64 2.326 12.306 -12.127 1.00 2.95 H new ATOM 0 HB2 ALA A 64 2.020 10.565 -11.919 1.00 2.95 H new ATOM 0 HB3 ALA A 64 0.844 11.753 -11.311 1.00 2.95 H new ATOM 1054 N ALA A 65 1.279 13.231 -8.950 1.00 1.61 N ATOM 1055 CA ALA A 65 1.047 14.410 -8.140 1.00 1.59 C ATOM 1056 C ALA A 65 2.026 14.426 -6.965 1.00 1.33 C ATOM 1057 O ALA A 65 2.774 15.384 -6.780 1.00 1.46 O ATOM 1058 CB ALA A 65 -0.403 14.451 -7.651 1.00 2.07 C ATOM 0 H ALA A 65 0.449 12.657 -9.095 1.00 1.61 H new ATOM 0 HA ALA A 65 1.216 15.300 -8.746 1.00 1.59 H new ATOM 0 HB1 ALA A 65 -0.557 15.343 -7.045 1.00 2.07 H new ATOM 0 HB2 ALA A 65 -1.076 14.474 -8.508 1.00 2.07 H new ATOM 0 HB3 ALA A 65 -0.610 13.565 -7.051 1.00 2.07 H new ATOM 1064 N TYR A 66 2.053 13.334 -6.199 1.00 1.31 N ATOM 1065 CA TYR A 66 2.911 13.222 -5.031 1.00 1.71 C ATOM 1066 C TYR A 66 4.383 13.281 -5.432 1.00 1.95 C ATOM 1067 O TYR A 66 5.205 13.870 -4.735 1.00 2.48 O ATOM 1068 CB TYR A 66 2.604 11.914 -4.296 1.00 1.87 C ATOM 1069 CG TYR A 66 3.356 11.744 -2.993 1.00 2.69 C ATOM 1070 CD1 TYR A 66 2.995 12.513 -1.872 1.00 3.33 C ATOM 1071 CD2 TYR A 66 4.457 10.870 -2.919 1.00 3.56 C ATOM 1072 CE1 TYR A 66 3.765 12.450 -0.699 1.00 4.25 C ATOM 1073 CE2 TYR A 66 5.205 10.783 -1.733 1.00 4.51 C ATOM 1074 CZ TYR A 66 4.858 11.570 -0.624 1.00 4.67 C ATOM 1075 OH TYR A 66 5.639 11.534 0.488 1.00 5.72 O ATOM 0 H TYR A 66 1.481 12.508 -6.375 1.00 1.31 H new ATOM 0 HA TYR A 66 2.714 14.062 -4.364 1.00 1.71 H new ATOM 0 HB2 TYR A 66 1.534 11.866 -4.094 1.00 1.87 H new ATOM 0 HB3 TYR A 66 2.842 11.077 -4.952 1.00 1.87 H new ATOM 0 HD1 TYR A 66 2.125 13.152 -1.913 1.00 3.33 H new ATOM 0 HD2 TYR A 66 4.726 10.267 -3.773 1.00 3.56 H new ATOM 0 HE1 TYR A 66 3.517 13.077 0.145 1.00 4.25 H new ATOM 0 HE2 TYR A 66 6.048 10.110 -1.675 1.00 4.51 H new ATOM 0 HH TYR A 66 5.102 11.771 1.273 1.00 5.72 H new ATOM 1085 N ASP A 67 4.751 12.658 -6.548 1.00 1.88 N ATOM 1086 CA ASP A 67 6.101 12.715 -7.053 1.00 2.42 C ATOM 1087 C ASP A 67 6.483 14.180 -7.294 1.00 2.39 C ATOM 1088 O ASP A 67 7.583 14.613 -6.958 1.00 2.95 O ATOM 1089 CB ASP A 67 6.122 11.932 -8.363 1.00 2.71 C ATOM 1090 CG ASP A 67 6.190 10.432 -8.229 1.00 3.81 C ATOM 1091 OD1 ASP A 67 5.732 9.868 -7.216 1.00 4.58 O ATOM 1092 OD2 ASP A 67 6.640 9.818 -9.218 1.00 4.80 O ATOM 0 H ASP A 67 4.115 12.102 -7.120 1.00 1.88 H new ATOM 0 HA ASP A 67 6.814 12.288 -6.348 1.00 2.42 H new ATOM 0 HB2 ASP A 67 5.228 12.187 -8.931 1.00 2.71 H new ATOM 0 HB3 ASP A 67 6.978 12.265 -8.950 1.00 2.71 H new ATOM 1097 N GLN A 68 5.571 14.943 -7.898 1.00 1.92 N ATOM 1098 CA GLN A 68 5.812 16.320 -8.289 1.00 2.06 C ATOM 1099 C GLN A 68 5.890 17.215 -7.055 1.00 2.41 C ATOM 1100 O GLN A 68 6.930 17.814 -6.778 1.00 3.03 O ATOM 1101 CB GLN A 68 4.719 16.771 -9.275 1.00 1.97 C ATOM 1102 CG GLN A 68 5.271 17.256 -10.614 1.00 2.24 C ATOM 1103 CD GLN A 68 5.502 18.757 -10.638 1.00 2.86 C ATOM 1104 OE1 GLN A 68 6.273 19.306 -9.853 1.00 3.72 O ATOM 1105 NE2 GLN A 68 4.818 19.444 -11.537 1.00 3.79 N ATOM 0 H GLN A 68 4.634 14.612 -8.129 1.00 1.92 H new ATOM 0 HA GLN A 68 6.772 16.401 -8.798 1.00 2.06 H new ATOM 0 HB2 GLN A 68 4.035 15.941 -9.452 1.00 1.97 H new ATOM 0 HB3 GLN A 68 4.137 17.572 -8.819 1.00 1.97 H new ATOM 0 HG2 GLN A 68 6.210 16.744 -10.823 1.00 2.24 H new ATOM 0 HG3 GLN A 68 4.576 16.986 -11.409 1.00 2.24 H new ATOM 0 HE21 GLN A 68 4.186 18.961 -12.175 1.00 3.79 H new ATOM 0 HE22 GLN A 68 4.923 20.457 -11.592 1.00 3.79 H new ATOM 1114 N TYR A 69 4.776 17.322 -6.336 1.00 2.45 N ATOM 1115 CA TYR A 69 4.576 18.249 -5.236 1.00 3.18 C ATOM 1116 C TYR A 69 3.985 17.509 -4.032 1.00 3.50 C ATOM 1117 O TYR A 69 3.127 18.017 -3.305 1.00 4.20 O ATOM 1118 CB TYR A 69 3.745 19.451 -5.714 1.00 3.64 C ATOM 1119 CG TYR A 69 2.816 19.232 -6.896 1.00 4.58 C ATOM 1120 CD1 TYR A 69 1.697 18.385 -6.787 1.00 6.05 C ATOM 1121 CD2 TYR A 69 3.066 19.899 -8.110 1.00 5.28 C ATOM 1122 CE1 TYR A 69 0.859 18.186 -7.899 1.00 7.76 C ATOM 1123 CE2 TYR A 69 2.263 19.653 -9.233 1.00 6.93 C ATOM 1124 CZ TYR A 69 1.147 18.814 -9.122 1.00 8.06 C ATOM 1125 OH TYR A 69 0.344 18.623 -10.210 1.00 9.98 O ATOM 0 H TYR A 69 3.958 16.740 -6.514 1.00 2.45 H new ATOM 0 HA TYR A 69 5.527 18.659 -4.896 1.00 3.18 H new ATOM 0 HB2 TYR A 69 3.145 19.801 -4.874 1.00 3.64 H new ATOM 0 HB3 TYR A 69 4.434 20.256 -5.971 1.00 3.64 H new ATOM 0 HD1 TYR A 69 1.482 17.889 -5.852 1.00 6.05 H new ATOM 0 HD2 TYR A 69 3.881 20.604 -8.177 1.00 5.28 H new ATOM 0 HE1 TYR A 69 -0.008 17.548 -7.812 1.00 7.76 H new ATOM 0 HE2 TYR A 69 2.505 20.110 -10.181 1.00 6.93 H new ATOM 0 HH TYR A 69 0.694 19.135 -10.969 1.00 9.98 H new ATOM 1135 N GLY A 70 4.476 16.298 -3.780 1.00 3.43 N ATOM 1136 CA GLY A 70 4.289 15.642 -2.501 1.00 4.27 C ATOM 1137 C GLY A 70 4.781 16.577 -1.409 1.00 5.53 C ATOM 1138 O GLY A 70 5.803 17.243 -1.584 1.00 6.49 O ATOM 0 H GLY A 70 5.010 15.752 -4.456 1.00 3.43 H new ATOM 0 HA2 GLY A 70 3.237 15.400 -2.348 1.00 4.27 H new ATOM 0 HA3 GLY A 70 4.840 14.702 -2.472 1.00 4.27 H new ATOM 1142 N HIS A 71 4.024 16.660 -0.318 1.00 6.06 N ATOM 1143 CA HIS A 71 4.256 17.577 0.786 1.00 7.45 C ATOM 1144 C HIS A 71 4.556 19.007 0.321 1.00 7.67 C ATOM 1145 O HIS A 71 5.342 19.717 0.950 1.00 8.93 O ATOM 1146 CB HIS A 71 5.308 17.010 1.749 1.00 8.85 C ATOM 1147 CG HIS A 71 6.716 16.931 1.207 1.00 10.04 C ATOM 1148 ND1 HIS A 71 7.625 17.966 1.181 1.00 11.17 N ATOM 1149 CD2 HIS A 71 7.335 15.826 0.685 1.00 10.72 C ATOM 1150 CE1 HIS A 71 8.775 17.483 0.681 1.00 12.48 C ATOM 1151 NE2 HIS A 71 8.648 16.183 0.366 1.00 12.28 N ATOM 0 H HIS A 71 3.205 16.069 -0.177 1.00 6.06 H new ATOM 0 HA HIS A 71 3.326 17.664 1.347 1.00 7.45 H new ATOM 0 HB2 HIS A 71 5.319 17.624 2.649 1.00 8.85 H new ATOM 0 HB3 HIS A 71 4.997 16.009 2.050 1.00 8.85 H new ATOM 0 HD1 HIS A 71 7.456 18.925 1.486 1.00 11.17 H new ATOM 0 HD2 HIS A 71 6.888 14.853 0.545 1.00 10.72 H new ATOM 0 HE1 HIS A 71 9.678 18.061 0.550 1.00 12.48 H new ATOM 1159 N ALA A 72 3.922 19.440 -0.768 1.00 6.70 N ATOM 1160 CA ALA A 72 4.077 20.783 -1.292 1.00 7.06 C ATOM 1161 C ALA A 72 2.863 21.127 -2.146 1.00 6.26 C ATOM 1162 O ALA A 72 3.013 21.662 -3.240 1.00 6.31 O ATOM 1163 CB ALA A 72 5.371 20.856 -2.110 1.00 7.87 C ATOM 0 H ALA A 72 3.283 18.859 -1.311 1.00 6.70 H new ATOM 0 HA ALA A 72 4.143 21.507 -0.480 1.00 7.06 H new ATOM 0 HB1 ALA A 72 5.494 21.864 -2.507 1.00 7.87 H new ATOM 0 HB2 ALA A 72 6.220 20.612 -1.471 1.00 7.87 H new ATOM 0 HB3 ALA A 72 5.321 20.145 -2.934 1.00 7.87 H new ATOM 1169 N ALA A 73 1.658 20.804 -1.680 1.00 6.15 N ATOM 1170 CA ALA A 73 0.450 21.014 -2.471 1.00 6.20 C ATOM 1171 C ALA A 73 -0.731 21.292 -1.553 1.00 7.66 C ATOM 1172 O ALA A 73 -1.409 22.305 -1.690 1.00 8.52 O ATOM 1173 CB ALA A 73 0.181 19.796 -3.359 1.00 5.53 C ATOM 0 H ALA A 73 1.494 20.396 -0.760 1.00 6.15 H new ATOM 0 HA ALA A 73 0.592 21.880 -3.118 1.00 6.20 H new ATOM 0 HB1 ALA A 73 -0.723 19.965 -3.944 1.00 5.53 H new ATOM 0 HB2 ALA A 73 1.025 19.642 -4.031 1.00 5.53 H new ATOM 0 HB3 ALA A 73 0.049 18.912 -2.734 1.00 5.53 H new ATOM 1179 N PHE A 74 -0.953 20.399 -0.595 1.00 8.34 N ATOM 1180 CA PHE A 74 -1.938 20.554 0.461 1.00 10.08 C ATOM 1181 C PHE A 74 -1.239 21.326 1.583 1.00 10.75 C ATOM 1182 O PHE A 74 -0.837 20.743 2.591 1.00 11.80 O ATOM 1183 CB PHE A 74 -2.405 19.145 0.855 1.00 11.06 C ATOM 1184 CG PHE A 74 -3.182 19.034 2.147 1.00 12.81 C ATOM 1185 CD1 PHE A 74 -4.423 19.679 2.283 1.00 13.73 C ATOM 1186 CD2 PHE A 74 -2.685 18.242 3.199 1.00 13.85 C ATOM 1187 CE1 PHE A 74 -5.171 19.521 3.460 1.00 15.58 C ATOM 1188 CE2 PHE A 74 -3.442 18.072 4.367 1.00 15.68 C ATOM 1189 CZ PHE A 74 -4.684 18.716 4.502 1.00 16.51 C ATOM 0 H PHE A 74 -0.435 19.522 -0.533 1.00 8.34 H new ATOM 0 HA PHE A 74 -2.831 21.113 0.179 1.00 10.08 H new ATOM 0 HB2 PHE A 74 -3.024 18.752 0.049 1.00 11.06 H new ATOM 0 HB3 PHE A 74 -1.528 18.501 0.927 1.00 11.06 H new ATOM 0 HD1 PHE A 74 -4.801 20.296 1.482 1.00 13.73 H new ATOM 0 HD2 PHE A 74 -1.720 17.765 3.107 1.00 13.85 H new ATOM 0 HE1 PHE A 74 -6.123 20.020 3.564 1.00 15.58 H new ATOM 0 HE2 PHE A 74 -3.070 17.445 5.164 1.00 15.68 H new ATOM 0 HZ PHE A 74 -5.263 18.592 5.405 1.00 16.51 H new ATOM 1199 N GLU A 75 -0.925 22.600 1.340 1.00 10.40 N ATOM 1200 CA GLU A 75 -0.163 23.456 2.253 1.00 11.21 C ATOM 1201 C GLU A 75 -0.593 24.927 2.194 1.00 11.70 C ATOM 1202 O GLU A 75 0.193 25.824 2.505 1.00 12.25 O ATOM 1203 CB GLU A 75 1.354 23.235 2.060 1.00 10.71 C ATOM 1204 CG GLU A 75 1.972 22.618 3.327 1.00 12.02 C ATOM 1205 CD GLU A 75 2.145 23.651 4.422 1.00 13.22 C ATOM 1206 OE1 GLU A 75 1.142 24.197 4.920 1.00 13.67 O ATOM 1207 OE2 GLU A 75 3.313 23.915 4.773 1.00 13.96 O ATOM 0 H GLU A 75 -1.200 23.077 0.482 1.00 10.40 H new ATOM 0 HA GLU A 75 -0.398 23.155 3.274 1.00 11.21 H new ATOM 0 HB2 GLU A 75 1.527 22.579 1.207 1.00 10.71 H new ATOM 0 HB3 GLU A 75 1.841 24.184 1.836 1.00 10.71 H new ATOM 0 HG2 GLU A 75 1.336 21.809 3.686 1.00 12.02 H new ATOM 0 HG3 GLU A 75 2.940 22.179 3.084 1.00 12.02 H new ATOM 1214 N GLN A 76 -1.776 25.175 1.638 1.00 11.68 N ATOM 1215 CA GLN A 76 -2.267 26.465 1.222 1.00 12.19 C ATOM 1216 C GLN A 76 -2.258 27.460 2.380 1.00 13.66 C ATOM 1217 O GLN A 76 -2.226 27.024 3.552 1.00 14.50 O ATOM 1218 CB GLN A 76 -3.676 26.336 0.624 1.00 12.38 C ATOM 1219 CG GLN A 76 -4.559 25.158 1.077 1.00 12.59 C ATOM 1220 CD GLN A 76 -4.241 23.856 0.354 1.00 12.02 C ATOM 1221 OE1 GLN A 76 -3.145 23.689 -0.172 1.00 11.83 O ATOM 1222 NE2 GLN A 76 -5.175 22.922 0.283 1.00 12.17 N ATOM 1223 OXT GLN A 76 -1.978 28.645 2.106 1.00 14.18 O ATOM 0 H GLN A 76 -2.449 24.430 1.460 1.00 11.68 H new ATOM 0 HA GLN A 76 -1.598 26.848 0.451 1.00 12.19 H new ATOM 0 HB2 GLN A 76 -4.215 27.258 0.842 1.00 12.38 H new ATOM 0 HB3 GLN A 76 -3.573 26.276 -0.459 1.00 12.38 H new ATOM 0 HG2 GLN A 76 -4.434 25.010 2.150 1.00 12.59 H new ATOM 0 HG3 GLN A 76 -5.606 25.412 0.910 1.00 12.59 H new ATOM 0 HE21 GLN A 76 -6.082 23.073 0.725 1.00 12.17 H new ATOM 0 HE22 GLN A 76 -4.988 22.051 -0.213 1.00 12.17 H new TER 1232 GLN A 76