USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 589 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 5 CYS SG : rot -136:sc= -1.83 USER MOD Set 1.2: A 10 CYS SG : rot 50:sc= -0.25 USER MOD Set 1.3: A 54 CYS SG : rot -67:sc= -2.02 USER MOD Set 1.4: A 57 HIS : no HE2:sc= -2.98 K(o=-7.1,f=-13!) USER MOD Single : A 3 GLN : amide:sc= -0.378 X(o=-0.38,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0399 USER MOD Single : A 6 SER OG : rot 146:sc= -4.49! USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -9.47! C(o=-9.5!,f=-6.5!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 155:sc= -0.0097 (180deg=-0.567) USER MOD Single : A 18 LYS NZ :NH3+ -144:sc= -0.245 (180deg=-1.25!) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0701 USER MOD Single : A 23 HIS : no HD1:sc= -2.95 X(o=-2.9,f=-2.7) USER MOD Single : A 24 LYS NZ :NH3+ 169:sc= 0.0735 (180deg=0.0534) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 134:sc=-0.00388 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00532) USER MOD Single : A 44 ASN : amide:sc= 0.352 K(o=0.35,f=-4.1!) USER MOD Single : A 46 LYS NZ :NH3+ -174:sc= -0.829 (180deg=-0.989) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 140:sc= -2.08 (180deg=-4.33!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -66:sc= 0.866 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 99:sc= 0.46 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.971 USER MOD Single : A 62 CYS SG : rot -31:sc= -1.21 USER MOD Single : A 73 LYS NZ :NH3+ -166:sc= -0.0927 (180deg=-0.469) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 79 THR OG1 : rot 140:sc= -0.41 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -9.289 10.112 10.148 1.00 0.00 N ATOM 21 CA VAL A 2 -9.226 9.202 11.289 1.00 0.00 C ATOM 22 C VAL A 2 -7.988 8.307 11.215 1.00 0.00 C ATOM 23 O VAL A 2 -7.916 7.278 11.887 1.00 0.00 O ATOM 24 CB VAL A 2 -10.493 8.323 11.396 1.00 0.00 C ATOM 25 CG1 VAL A 2 -10.586 7.685 12.774 1.00 0.00 C ATOM 26 CG2 VAL A 2 -11.741 9.144 11.101 1.00 0.00 C ATOM 0 HA VAL A 2 -9.163 9.825 12.181 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.422 7.528 10.654 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -11.484 7.070 12.830 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.708 7.062 12.947 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.632 8.465 13.534 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -12.622 8.508 11.181 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -11.817 9.961 11.818 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.678 9.551 10.092 1.00 0.00 H new ATOM 36 N GLN A 3 -7.012 8.708 10.398 1.00 0.00 N ATOM 37 CA GLN A 3 -5.778 7.952 10.239 1.00 0.00 C ATOM 38 C GLN A 3 -4.861 8.670 9.262 1.00 0.00 C ATOM 39 O GLN A 3 -5.310 9.195 8.242 1.00 0.00 O ATOM 40 CB GLN A 3 -6.074 6.532 9.740 1.00 0.00 C ATOM 41 CG GLN A 3 -4.838 5.695 9.423 1.00 0.00 C ATOM 42 CD GLN A 3 -4.308 4.957 10.637 1.00 0.00 C ATOM 43 OE1 GLN A 3 -4.377 3.730 10.710 1.00 0.00 O ATOM 44 NE2 GLN A 3 -3.776 5.702 11.600 1.00 0.00 N ATOM 0 H GLN A 3 -7.058 9.558 9.835 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.285 7.878 11.208 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -6.664 6.012 10.495 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.691 6.598 8.844 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.082 4.975 8.642 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.057 6.343 9.026 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.739 6.716 11.499 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.405 5.260 12.441 1.00 0.00 H new ATOM 53 N SER A 4 -3.583 8.703 9.587 1.00 0.00 N ATOM 54 CA SER A 4 -2.601 9.375 8.746 1.00 0.00 C ATOM 55 C SER A 4 -1.987 8.440 7.712 1.00 0.00 C ATOM 56 O SER A 4 -2.167 7.223 7.753 1.00 0.00 O ATOM 57 CB SER A 4 -1.489 10.000 9.586 1.00 0.00 C ATOM 58 OG SER A 4 -1.666 9.714 10.962 1.00 0.00 O ATOM 0 H SER A 4 -3.196 8.273 10.427 1.00 0.00 H new ATOM 0 HA SER A 4 -3.140 10.161 8.217 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.522 9.621 9.254 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.478 11.079 9.434 1.00 0.00 H new ATOM 0 HG SER A 4 -0.940 10.124 11.477 1.00 0.00 H new ATOM 64 N CYS A 5 -1.262 9.049 6.783 1.00 0.00 N ATOM 65 CA CYS A 5 -0.595 8.337 5.705 1.00 0.00 C ATOM 66 C CYS A 5 0.838 8.871 5.562 1.00 0.00 C ATOM 67 O CYS A 5 1.198 9.850 6.216 1.00 0.00 O ATOM 68 CB CYS A 5 -1.438 8.491 4.424 1.00 0.00 C ATOM 69 SG CYS A 5 -0.565 9.091 2.963 1.00 0.00 S ATOM 0 H CYS A 5 -1.120 10.059 6.758 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.512 7.270 5.913 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.879 7.523 4.186 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -2.261 9.173 4.636 1.00 0.00 H new ATOM 0 HG CYS A 5 -1.289 9.989 2.363 1.00 0.00 H new ATOM 74 N SER A 6 1.664 8.227 4.737 1.00 0.00 N ATOM 75 CA SER A 6 3.048 8.665 4.573 1.00 0.00 C ATOM 76 C SER A 6 3.114 9.978 3.816 1.00 0.00 C ATOM 77 O SER A 6 3.831 10.900 4.202 1.00 0.00 O ATOM 78 CB SER A 6 3.865 7.600 3.845 1.00 0.00 C ATOM 79 OG SER A 6 5.241 7.935 3.843 1.00 0.00 O ATOM 0 H SER A 6 1.404 7.413 4.180 1.00 0.00 H new ATOM 0 HA SER A 6 3.472 8.816 5.566 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.722 6.633 4.328 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.509 7.500 2.820 1.00 0.00 H new ATOM 0 HG SER A 6 5.777 7.116 3.898 1.00 0.00 H new ATOM 85 N ALA A 7 2.355 10.049 2.734 1.00 0.00 N ATOM 86 CA ALA A 7 2.305 11.248 1.898 1.00 0.00 C ATOM 87 C ALA A 7 2.225 12.513 2.752 1.00 0.00 C ATOM 88 O ALA A 7 1.225 12.758 3.427 1.00 0.00 O ATOM 89 CB ALA A 7 1.123 11.175 0.944 1.00 0.00 C ATOM 0 H ALA A 7 1.760 9.287 2.409 1.00 0.00 H new ATOM 0 HA ALA A 7 3.225 11.294 1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.097 12.073 0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.225 10.299 0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.198 11.101 1.516 1.00 0.00 H new ATOM 95 N TYR A 8 3.291 13.307 2.721 1.00 0.00 N ATOM 96 CA TYR A 8 3.357 14.544 3.495 1.00 0.00 C ATOM 97 C TYR A 8 2.165 15.451 3.200 1.00 0.00 C ATOM 98 O TYR A 8 1.841 15.712 2.042 1.00 0.00 O ATOM 99 CB TYR A 8 4.659 15.286 3.192 1.00 0.00 C ATOM 100 CG TYR A 8 4.899 16.481 4.087 1.00 0.00 C ATOM 101 CD1 TYR A 8 5.366 16.317 5.385 1.00 0.00 C ATOM 102 CD2 TYR A 8 4.660 17.772 3.634 1.00 0.00 C ATOM 103 CE1 TYR A 8 5.588 17.407 6.206 1.00 0.00 C ATOM 104 CE2 TYR A 8 4.879 18.866 4.448 1.00 0.00 C ATOM 105 CZ TYR A 8 5.343 18.679 5.733 1.00 0.00 C ATOM 106 OH TYR A 8 5.562 19.767 6.547 1.00 0.00 O ATOM 0 H TYR A 8 4.125 13.115 2.166 1.00 0.00 H new ATOM 0 HA TYR A 8 3.328 14.277 4.551 1.00 0.00 H new ATOM 0 HB2 TYR A 8 5.494 14.593 3.294 1.00 0.00 H new ATOM 0 HB3 TYR A 8 4.645 15.618 2.154 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.559 15.322 5.759 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.297 17.923 2.628 1.00 0.00 H new ATOM 0 HE1 TYR A 8 5.951 17.263 7.213 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.688 19.863 4.080 1.00 0.00 H new ATOM 0 HH TYR A 8 5.341 20.589 6.061 1.00 0.00 H new ATOM 116 N GLY A 9 1.521 15.935 4.260 1.00 0.00 N ATOM 117 CA GLY A 9 0.377 16.815 4.101 1.00 0.00 C ATOM 118 C GLY A 9 -0.695 16.224 3.214 1.00 0.00 C ATOM 119 O GLY A 9 -1.180 16.873 2.288 1.00 0.00 O ATOM 0 H GLY A 9 1.773 15.732 5.228 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.047 17.033 5.081 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.709 17.764 3.679 1.00 0.00 H new ATOM 123 N CYS A 10 -1.057 14.988 3.503 1.00 0.00 N ATOM 124 CA CYS A 10 -2.071 14.287 2.738 1.00 0.00 C ATOM 125 C CYS A 10 -3.474 14.648 3.231 1.00 0.00 C ATOM 126 O CYS A 10 -3.642 15.119 4.357 1.00 0.00 O ATOM 127 CB CYS A 10 -1.842 12.777 2.828 1.00 0.00 C ATOM 128 SG CYS A 10 -2.910 11.823 1.732 1.00 0.00 S ATOM 0 H CYS A 10 -0.660 14.445 4.269 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.993 14.595 1.695 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.801 12.560 2.588 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.006 12.453 3.856 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.854 12.319 0.532 1.00 0.00 H new ATOM 133 N LYS A 11 -4.477 14.431 2.380 1.00 0.00 N ATOM 134 CA LYS A 11 -5.858 14.740 2.724 1.00 0.00 C ATOM 135 C LYS A 11 -6.670 13.471 2.982 1.00 0.00 C ATOM 136 O LYS A 11 -7.899 13.487 2.939 1.00 0.00 O ATOM 137 CB LYS A 11 -6.508 15.559 1.608 1.00 0.00 C ATOM 138 CG LYS A 11 -7.284 16.762 2.113 1.00 0.00 C ATOM 139 CD LYS A 11 -6.377 17.970 2.261 1.00 0.00 C ATOM 140 CE LYS A 11 -7.031 19.061 3.094 1.00 0.00 C ATOM 141 NZ LYS A 11 -7.355 20.264 2.277 1.00 0.00 N ATOM 0 H LYS A 11 -4.354 14.041 1.445 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.849 15.325 3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.734 15.899 0.920 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.180 14.916 1.040 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.094 16.993 1.421 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.742 16.527 3.074 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.440 17.667 2.728 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.129 18.363 1.275 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.943 18.674 3.548 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.365 19.344 3.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.799 20.985 2.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.481 20.649 1.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.011 19.999 1.514 1.00 0.00 H new ATOM 155 N ASN A 12 -5.970 12.376 3.248 1.00 0.00 N ATOM 156 CA ASN A 12 -6.599 11.093 3.514 1.00 0.00 C ATOM 157 C ASN A 12 -7.575 11.168 4.682 1.00 0.00 C ATOM 158 O ASN A 12 -7.592 12.140 5.436 1.00 0.00 O ATOM 159 CB ASN A 12 -5.519 10.074 3.832 1.00 0.00 C ATOM 160 CG ASN A 12 -4.914 10.299 5.201 1.00 0.00 C ATOM 161 OD1 ASN A 12 -5.223 11.275 5.885 1.00 0.00 O ATOM 162 ND2 ASN A 12 -4.042 9.401 5.598 1.00 0.00 N ATOM 0 H ASN A 12 -4.951 12.354 3.285 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.162 10.801 2.627 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.941 9.070 3.783 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.736 10.128 3.076 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.590 9.496 6.507 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.817 8.608 4.997 1.00 0.00 H new ATOM 169 N ARG A 13 -8.368 10.112 4.837 1.00 0.00 N ATOM 170 CA ARG A 13 -9.331 10.036 5.937 1.00 0.00 C ATOM 171 C ARG A 13 -9.971 8.656 6.033 1.00 0.00 C ATOM 172 O ARG A 13 -10.677 8.223 5.125 1.00 0.00 O ATOM 173 CB ARG A 13 -10.418 11.103 5.789 1.00 0.00 C ATOM 174 CG ARG A 13 -10.754 11.457 4.348 1.00 0.00 C ATOM 175 CD ARG A 13 -11.567 12.738 4.263 1.00 0.00 C ATOM 176 NE ARG A 13 -12.705 12.726 5.179 1.00 0.00 N ATOM 177 CZ ARG A 13 -13.866 12.132 4.911 1.00 0.00 C ATOM 178 NH1 ARG A 13 -14.048 11.500 3.758 1.00 0.00 N ATOM 179 NH2 ARG A 13 -14.848 12.168 5.801 1.00 0.00 N ATOM 0 H ARG A 13 -8.365 9.300 4.220 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.777 10.219 6.858 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.323 10.754 6.286 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.097 12.006 6.308 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.833 11.571 3.776 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.313 10.640 3.892 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.926 13.590 4.492 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.925 12.873 3.242 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.604 13.200 6.076 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.296 11.467 3.070 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.940 11.047 3.560 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.713 12.650 6.690 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.738 11.713 5.597 1.00 0.00 H new ATOM 193 N TYR A 14 -9.725 7.971 7.149 1.00 0.00 N ATOM 194 CA TYR A 14 -10.279 6.645 7.368 1.00 0.00 C ATOM 195 C TYR A 14 -11.730 6.727 7.837 1.00 0.00 C ATOM 196 O TYR A 14 -12.012 6.628 9.031 1.00 0.00 O ATOM 197 CB TYR A 14 -9.436 5.902 8.399 1.00 0.00 C ATOM 198 CG TYR A 14 -9.793 4.439 8.538 1.00 0.00 C ATOM 199 CD1 TYR A 14 -10.783 4.026 9.422 1.00 0.00 C ATOM 200 CD2 TYR A 14 -9.141 3.471 7.783 1.00 0.00 C ATOM 201 CE1 TYR A 14 -11.111 2.689 9.550 1.00 0.00 C ATOM 202 CE2 TYR A 14 -9.465 2.134 7.907 1.00 0.00 C ATOM 203 CZ TYR A 14 -10.450 1.749 8.791 1.00 0.00 C ATOM 204 OH TYR A 14 -10.774 0.417 8.916 1.00 0.00 O ATOM 0 H TYR A 14 -9.145 8.317 7.913 1.00 0.00 H new ATOM 0 HA TYR A 14 -10.261 6.102 6.423 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.385 5.985 8.123 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.551 6.388 9.368 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.304 4.761 10.018 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.369 3.769 7.089 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.882 2.383 10.242 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.949 1.394 7.314 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.216 -0.114 8.310 1.00 0.00 H new ATOM 214 N ASP A 15 -12.645 6.907 6.889 1.00 0.00 N ATOM 215 CA ASP A 15 -14.065 7.000 7.208 1.00 0.00 C ATOM 216 C ASP A 15 -14.835 5.839 6.592 1.00 0.00 C ATOM 217 O ASP A 15 -14.422 5.278 5.577 1.00 0.00 O ATOM 218 CB ASP A 15 -14.638 8.324 6.706 1.00 0.00 C ATOM 219 CG ASP A 15 -16.001 8.626 7.299 1.00 0.00 C ATOM 220 OD1 ASP A 15 -16.148 8.518 8.535 1.00 0.00 O ATOM 221 OD2 ASP A 15 -16.920 8.970 6.527 1.00 0.00 O ATOM 0 H ASP A 15 -12.429 6.991 5.896 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.171 6.954 8.292 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.950 9.132 6.954 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.716 8.294 5.619 1.00 0.00 H new ATOM 226 N LYS A 16 -15.958 5.484 7.206 1.00 0.00 N ATOM 227 CA LYS A 16 -16.784 4.391 6.705 1.00 0.00 C ATOM 228 C LYS A 16 -17.328 4.722 5.322 1.00 0.00 C ATOM 229 O LYS A 16 -17.603 3.833 4.516 1.00 0.00 O ATOM 230 CB LYS A 16 -17.941 4.111 7.669 1.00 0.00 C ATOM 231 CG LYS A 16 -18.883 3.004 7.207 1.00 0.00 C ATOM 232 CD LYS A 16 -20.034 3.554 6.375 1.00 0.00 C ATOM 233 CE LYS A 16 -20.495 2.558 5.318 1.00 0.00 C ATOM 234 NZ LYS A 16 -20.511 1.161 5.836 1.00 0.00 N ATOM 0 H LYS A 16 -16.317 5.935 8.048 1.00 0.00 H new ATOM 0 HA LYS A 16 -16.162 3.499 6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -17.531 3.842 8.643 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -18.515 5.027 7.807 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -18.326 2.274 6.620 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -19.280 2.478 8.075 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -20.870 3.802 7.030 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -19.723 4.480 5.891 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -21.494 2.829 4.976 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -19.835 2.616 4.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -21.193 0.596 5.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -19.563 0.745 5.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -20.788 1.166 6.838 1.00 0.00 H new ATOM 248 N ASP A 17 -17.473 6.012 5.057 1.00 0.00 N ATOM 249 CA ASP A 17 -17.976 6.490 3.780 1.00 0.00 C ATOM 250 C ASP A 17 -16.859 6.518 2.747 1.00 0.00 C ATOM 251 O ASP A 17 -16.970 5.923 1.676 1.00 0.00 O ATOM 252 CB ASP A 17 -18.556 7.893 3.948 1.00 0.00 C ATOM 253 CG ASP A 17 -20.051 7.935 3.693 1.00 0.00 C ATOM 254 OD1 ASP A 17 -20.470 7.597 2.567 1.00 0.00 O ATOM 255 OD2 ASP A 17 -20.800 8.305 4.621 1.00 0.00 O ATOM 0 H ASP A 17 -17.246 6.754 5.719 1.00 0.00 H new ATOM 0 HA ASP A 17 -18.757 5.812 3.435 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.352 8.249 4.958 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.054 8.575 3.262 1.00 0.00 H new ATOM 260 N LYS A 18 -15.785 7.218 3.087 1.00 0.00 N ATOM 261 CA LYS A 18 -14.633 7.339 2.204 1.00 0.00 C ATOM 262 C LYS A 18 -13.897 6.002 2.090 1.00 0.00 C ATOM 263 O LYS A 18 -13.280 5.546 3.053 1.00 0.00 O ATOM 264 CB LYS A 18 -13.690 8.411 2.743 1.00 0.00 C ATOM 265 CG LYS A 18 -12.578 8.793 1.778 1.00 0.00 C ATOM 266 CD LYS A 18 -12.995 9.941 0.870 1.00 0.00 C ATOM 267 CE LYS A 18 -13.102 9.499 -0.581 1.00 0.00 C ATOM 268 NZ LYS A 18 -11.877 8.785 -1.037 1.00 0.00 N ATOM 0 H LYS A 18 -15.688 7.713 3.973 1.00 0.00 H new ATOM 0 HA LYS A 18 -14.979 7.624 1.210 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.269 9.302 2.986 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.245 8.056 3.673 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.689 9.078 2.341 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.308 7.928 1.172 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.955 10.337 1.202 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.270 10.751 0.951 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.967 8.847 -0.699 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.271 10.370 -1.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.685 9.024 -2.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.068 9.073 -0.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.021 7.759 -0.949 1.00 0.00 H new ATOM 282 N PRO A 19 -13.965 5.341 0.918 1.00 0.00 N ATOM 283 CA PRO A 19 -13.318 4.039 0.697 1.00 0.00 C ATOM 284 C PRO A 19 -11.807 4.110 0.531 1.00 0.00 C ATOM 285 O PRO A 19 -11.208 3.305 -0.181 1.00 0.00 O ATOM 286 CB PRO A 19 -13.939 3.567 -0.603 1.00 0.00 C ATOM 287 CG PRO A 19 -14.254 4.835 -1.329 1.00 0.00 C ATOM 288 CD PRO A 19 -14.701 5.783 -0.280 1.00 0.00 C ATOM 0 HA PRO A 19 -13.469 3.386 1.556 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.251 2.941 -1.171 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -14.836 2.974 -0.426 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.379 5.215 -1.856 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.032 4.678 -2.076 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.461 6.814 -0.541 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.779 5.736 -0.129 1.00 0.00 H new ATOM 296 N VAL A 20 -11.205 5.071 1.184 1.00 0.00 N ATOM 297 CA VAL A 20 -9.765 5.264 1.120 1.00 0.00 C ATOM 298 C VAL A 20 -9.024 4.298 2.047 1.00 0.00 C ATOM 299 O VAL A 20 -8.611 4.668 3.146 1.00 0.00 O ATOM 300 CB VAL A 20 -9.391 6.717 1.477 1.00 0.00 C ATOM 301 CG1 VAL A 20 -9.701 7.022 2.935 1.00 0.00 C ATOM 302 CG2 VAL A 20 -7.928 6.991 1.159 1.00 0.00 C ATOM 0 H VAL A 20 -11.691 5.744 1.776 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.459 5.057 0.095 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.000 7.381 0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.427 8.053 3.157 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.767 6.882 3.117 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.132 6.349 3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.686 8.022 1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.297 6.314 1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.751 6.834 0.095 1.00 0.00 H new ATOM 312 N SER A 21 -8.850 3.057 1.598 1.00 0.00 N ATOM 313 CA SER A 21 -8.153 2.056 2.395 1.00 0.00 C ATOM 314 C SER A 21 -6.699 2.460 2.614 1.00 0.00 C ATOM 315 O SER A 21 -6.174 3.326 1.916 1.00 0.00 O ATOM 316 CB SER A 21 -8.215 0.689 1.715 1.00 0.00 C ATOM 317 OG SER A 21 -8.315 0.822 0.308 1.00 0.00 O ATOM 0 H SER A 21 -9.180 2.724 0.692 1.00 0.00 H new ATOM 0 HA SER A 21 -8.649 1.991 3.363 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.324 0.114 1.966 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.072 0.131 2.092 1.00 0.00 H new ATOM 0 HG SER A 21 -8.351 -0.067 -0.103 1.00 0.00 H new ATOM 323 N PHE A 22 -6.059 1.830 3.592 1.00 0.00 N ATOM 324 CA PHE A 22 -4.667 2.124 3.909 1.00 0.00 C ATOM 325 C PHE A 22 -3.813 0.860 3.816 1.00 0.00 C ATOM 326 O PHE A 22 -4.310 -0.249 4.008 1.00 0.00 O ATOM 327 CB PHE A 22 -4.572 2.743 5.305 1.00 0.00 C ATOM 328 CG PHE A 22 -4.978 4.194 5.342 1.00 0.00 C ATOM 329 CD1 PHE A 22 -6.244 4.588 4.929 1.00 0.00 C ATOM 330 CD2 PHE A 22 -4.091 5.163 5.775 1.00 0.00 C ATOM 331 CE1 PHE A 22 -6.611 5.923 4.943 1.00 0.00 C ATOM 332 CE2 PHE A 22 -4.454 6.496 5.797 1.00 0.00 C ATOM 333 CZ PHE A 22 -5.717 6.880 5.378 1.00 0.00 C ATOM 0 H PHE A 22 -6.482 1.112 4.180 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.284 2.840 3.182 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.205 2.178 5.989 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.548 2.650 5.667 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.951 3.844 4.593 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.102 4.874 6.100 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.597 6.215 4.613 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.751 7.240 6.142 1.00 0.00 H new ATOM 0 HZ PHE A 22 -6.000 7.922 5.392 1.00 0.00 H new ATOM 343 N HIS A 23 -2.530 1.030 3.498 1.00 0.00 N ATOM 344 CA HIS A 23 -1.622 -0.108 3.357 1.00 0.00 C ATOM 345 C HIS A 23 -0.243 0.189 3.945 1.00 0.00 C ATOM 346 O HIS A 23 0.386 1.183 3.595 1.00 0.00 O ATOM 347 CB HIS A 23 -1.475 -0.476 1.877 1.00 0.00 C ATOM 348 CG HIS A 23 -2.753 -0.379 1.107 1.00 0.00 C ATOM 349 ND1 HIS A 23 -3.369 -1.466 0.524 1.00 0.00 N ATOM 350 CD2 HIS A 23 -3.534 0.690 0.826 1.00 0.00 C ATOM 351 CE1 HIS A 23 -4.474 -1.069 -0.084 1.00 0.00 C ATOM 352 NE2 HIS A 23 -4.597 0.233 0.086 1.00 0.00 N ATOM 0 H HIS A 23 -2.098 1.939 3.334 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.052 -0.943 3.910 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.734 0.180 1.420 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -1.091 -1.493 1.800 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -3.355 1.712 1.127 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.159 -1.703 -0.627 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.359 0.808 -0.274 1.00 0.00 H new ATOM 361 N LYS A 24 0.233 -0.690 4.821 1.00 0.00 N ATOM 362 CA LYS A 24 1.550 -0.525 5.438 1.00 0.00 C ATOM 363 C LYS A 24 2.650 -0.855 4.433 1.00 0.00 C ATOM 364 O LYS A 24 2.390 -1.501 3.418 1.00 0.00 O ATOM 365 CB LYS A 24 1.678 -1.427 6.667 1.00 0.00 C ATOM 366 CG LYS A 24 0.993 -0.867 7.904 1.00 0.00 C ATOM 367 CD LYS A 24 1.961 -0.737 9.071 1.00 0.00 C ATOM 368 CE LYS A 24 1.596 0.432 9.972 1.00 0.00 C ATOM 369 NZ LYS A 24 2.775 1.291 10.273 1.00 0.00 N ATOM 0 H LYS A 24 -0.271 -1.524 5.121 1.00 0.00 H new ATOM 0 HA LYS A 24 1.658 0.514 5.751 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.253 -2.404 6.437 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.735 -1.583 6.885 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.567 0.109 7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.165 -1.517 8.188 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.958 -1.660 9.652 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.974 -0.602 8.691 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.823 1.032 9.493 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.175 0.054 10.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.457 2.170 10.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.420 0.784 10.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.272 1.520 9.389 1.00 0.00 H new ATOM 383 N PHE A 25 3.879 -0.414 4.706 1.00 0.00 N ATOM 384 CA PHE A 25 4.984 -0.688 3.793 1.00 0.00 C ATOM 385 C PHE A 25 5.182 -2.191 3.636 1.00 0.00 C ATOM 386 O PHE A 25 5.099 -2.946 4.605 1.00 0.00 O ATOM 387 CB PHE A 25 6.271 0.013 4.235 1.00 0.00 C ATOM 388 CG PHE A 25 6.650 1.135 3.302 1.00 0.00 C ATOM 389 CD1 PHE A 25 6.130 2.410 3.481 1.00 0.00 C ATOM 390 CD2 PHE A 25 7.502 0.910 2.229 1.00 0.00 C ATOM 391 CE1 PHE A 25 6.451 3.436 2.607 1.00 0.00 C ATOM 392 CE2 PHE A 25 7.830 1.934 1.356 1.00 0.00 C ATOM 393 CZ PHE A 25 7.302 3.197 1.543 1.00 0.00 C ATOM 0 H PHE A 25 4.129 0.124 5.536 1.00 0.00 H new ATOM 0 HA PHE A 25 4.727 -0.278 2.816 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.142 0.407 5.243 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.083 -0.713 4.278 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.467 2.604 4.311 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.914 -0.076 2.073 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.037 4.422 2.756 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.499 1.745 0.529 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.553 3.995 0.860 1.00 0.00 H new ATOM 403 N PRO A 26 5.394 -2.649 2.391 1.00 0.00 N ATOM 404 CA PRO A 26 5.543 -4.066 2.073 1.00 0.00 C ATOM 405 C PRO A 26 6.990 -4.549 2.054 1.00 0.00 C ATOM 406 O PRO A 26 7.916 -3.771 1.830 1.00 0.00 O ATOM 407 CB PRO A 26 4.955 -4.095 0.670 1.00 0.00 C ATOM 408 CG PRO A 26 5.488 -2.849 0.060 1.00 0.00 C ATOM 409 CD PRO A 26 5.454 -1.823 1.164 1.00 0.00 C ATOM 0 HA PRO A 26 5.071 -4.718 2.808 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.269 -4.981 0.119 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.865 -4.101 0.689 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.502 -2.995 -0.311 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.880 -2.535 -0.789 1.00 0.00 H new ATOM 0 HD2 PRO A 26 6.339 -1.187 1.150 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.588 -1.167 1.077 1.00 0.00 H new ATOM 417 N LEU A 27 7.166 -5.850 2.276 1.00 0.00 N ATOM 418 CA LEU A 27 8.482 -6.463 2.271 1.00 0.00 C ATOM 419 C LEU A 27 8.641 -7.388 1.065 1.00 0.00 C ATOM 420 O LEU A 27 9.748 -7.578 0.560 1.00 0.00 O ATOM 421 CB LEU A 27 8.719 -7.242 3.568 1.00 0.00 C ATOM 422 CG LEU A 27 7.894 -8.526 3.717 1.00 0.00 C ATOM 423 CD1 LEU A 27 8.803 -9.726 3.938 1.00 0.00 C ATOM 424 CD2 LEU A 27 6.899 -8.392 4.861 1.00 0.00 C ATOM 0 H LEU A 27 6.403 -6.501 2.463 1.00 0.00 H new ATOM 0 HA LEU A 27 9.225 -5.669 2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.776 -7.499 3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.499 -6.588 4.412 1.00 0.00 H new ATOM 0 HG LEU A 27 7.338 -8.684 2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.198 -10.627 4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.474 -9.836 3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.389 -9.577 4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.323 -9.313 4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.437 -8.207 5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.224 -7.560 4.661 1.00 0.00 H new ATOM 436 N THR A 28 7.528 -7.955 0.606 1.00 0.00 N ATOM 437 CA THR A 28 7.543 -8.855 -0.543 1.00 0.00 C ATOM 438 C THR A 28 7.897 -8.091 -1.813 1.00 0.00 C ATOM 439 O THR A 28 8.483 -8.646 -2.739 1.00 0.00 O ATOM 440 CB THR A 28 6.185 -9.545 -0.702 1.00 0.00 C ATOM 441 OG1 THR A 28 5.357 -9.294 0.421 1.00 0.00 O ATOM 442 CG2 THR A 28 6.293 -11.045 -0.865 1.00 0.00 C ATOM 0 H THR A 28 6.604 -7.807 1.013 1.00 0.00 H new ATOM 0 HA THR A 28 8.303 -9.618 -0.372 1.00 0.00 H new ATOM 0 HB THR A 28 5.754 -9.125 -1.611 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.494 -9.742 0.298 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.296 -11.472 -0.973 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.883 -11.273 -1.753 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.778 -11.472 0.013 1.00 0.00 H new ATOM 450 N ARG A 29 7.536 -6.811 -1.836 1.00 0.00 N ATOM 451 CA ARG A 29 7.808 -5.943 -2.966 1.00 0.00 C ATOM 452 C ARG A 29 8.959 -5.000 -2.617 1.00 0.00 C ATOM 453 O ARG A 29 8.740 -3.982 -1.971 1.00 0.00 O ATOM 454 CB ARG A 29 6.535 -5.160 -3.290 1.00 0.00 C ATOM 455 CG ARG A 29 6.693 -4.193 -4.442 1.00 0.00 C ATOM 456 CD ARG A 29 6.586 -2.759 -3.958 1.00 0.00 C ATOM 457 NE ARG A 29 5.249 -2.205 -4.193 1.00 0.00 N ATOM 458 CZ ARG A 29 4.992 -1.028 -4.788 1.00 0.00 C ATOM 459 NH1 ARG A 29 5.971 -0.190 -5.152 1.00 0.00 N ATOM 460 NH2 ARG A 29 3.736 -0.681 -5.004 1.00 0.00 N ATOM 0 H ARG A 29 7.046 -6.351 -1.069 1.00 0.00 H new ATOM 0 HA ARG A 29 8.101 -6.526 -3.839 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.736 -5.863 -3.525 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.223 -4.608 -2.404 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.658 -4.348 -4.924 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.927 -4.386 -5.193 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.815 -2.716 -2.893 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.329 -2.146 -4.469 1.00 0.00 H new ATOM 0 HE ARG A 29 4.450 -2.757 -3.880 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.945 -0.438 -4.979 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.743 0.696 -5.602 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.979 -1.303 -4.720 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.523 0.209 -5.455 1.00 0.00 H new ATOM 474 N PRO A 30 10.211 -5.359 -2.996 1.00 0.00 N ATOM 475 CA PRO A 30 11.408 -4.570 -2.687 1.00 0.00 C ATOM 476 C PRO A 30 11.840 -3.582 -3.777 1.00 0.00 C ATOM 477 O PRO A 30 11.719 -2.373 -3.600 1.00 0.00 O ATOM 478 CB PRO A 30 12.449 -5.649 -2.498 1.00 0.00 C ATOM 479 CG PRO A 30 12.044 -6.764 -3.418 1.00 0.00 C ATOM 480 CD PRO A 30 10.569 -6.590 -3.720 1.00 0.00 C ATOM 0 HA PRO A 30 11.242 -3.917 -1.830 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.445 -5.280 -2.743 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.480 -5.987 -1.462 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.630 -6.735 -4.337 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.229 -7.732 -2.952 1.00 0.00 H new ATOM 0 HD2 PRO A 30 10.388 -6.493 -4.790 1.00 0.00 H new ATOM 0 HD3 PRO A 30 9.985 -7.443 -3.374 1.00 0.00 H new ATOM 488 N SER A 31 12.358 -4.080 -4.901 1.00 0.00 N ATOM 489 CA SER A 31 12.800 -3.194 -5.980 1.00 0.00 C ATOM 490 C SER A 31 11.695 -2.216 -6.320 1.00 0.00 C ATOM 491 O SER A 31 11.883 -0.999 -6.298 1.00 0.00 O ATOM 492 CB SER A 31 13.200 -4.005 -7.216 1.00 0.00 C ATOM 493 OG SER A 31 14.609 -4.089 -7.334 1.00 0.00 O ATOM 0 H SER A 31 12.481 -5.075 -5.087 1.00 0.00 H new ATOM 0 HA SER A 31 13.676 -2.638 -5.645 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.777 -5.007 -7.150 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.784 -3.541 -8.110 1.00 0.00 H new ATOM 0 HG SER A 31 14.840 -4.613 -8.129 1.00 0.00 H new ATOM 499 N LEU A 32 10.529 -2.770 -6.569 1.00 0.00 N ATOM 500 CA LEU A 32 9.348 -1.986 -6.855 1.00 0.00 C ATOM 501 C LEU A 32 9.087 -1.056 -5.674 1.00 0.00 C ATOM 502 O LEU A 32 8.630 0.072 -5.831 1.00 0.00 O ATOM 503 CB LEU A 32 8.171 -2.927 -7.055 1.00 0.00 C ATOM 504 CG LEU A 32 6.806 -2.263 -7.261 1.00 0.00 C ATOM 505 CD1 LEU A 32 6.938 -0.925 -7.970 1.00 0.00 C ATOM 506 CD2 LEU A 32 5.890 -3.178 -8.048 1.00 0.00 C ATOM 0 H LEU A 32 10.373 -3.778 -6.579 1.00 0.00 H new ATOM 0 HA LEU A 32 9.486 -1.393 -7.759 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.379 -3.559 -7.919 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.106 -3.584 -6.188 1.00 0.00 H new ATOM 0 HG LEU A 32 6.374 -2.081 -6.277 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.950 -0.483 -8.099 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.560 -0.257 -7.374 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.399 -1.074 -8.946 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.924 -2.693 -8.187 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.334 -3.388 -9.021 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.753 -4.112 -7.503 1.00 0.00 H new ATOM 518 N CYS A 33 9.393 -1.562 -4.476 1.00 0.00 N ATOM 519 CA CYS A 33 9.207 -0.809 -3.237 1.00 0.00 C ATOM 520 C CYS A 33 9.869 0.555 -3.315 1.00 0.00 C ATOM 521 O CYS A 33 9.391 1.522 -2.725 1.00 0.00 O ATOM 522 CB CYS A 33 9.794 -1.576 -2.061 1.00 0.00 C ATOM 523 SG CYS A 33 9.018 -1.197 -0.472 1.00 0.00 S ATOM 0 H CYS A 33 9.774 -2.498 -4.340 1.00 0.00 H new ATOM 0 HA CYS A 33 8.135 -0.673 -3.094 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.699 -2.645 -2.254 1.00 0.00 H new ATOM 0 HB3 CYS A 33 10.860 -1.358 -1.994 1.00 0.00 H new ATOM 0 HG CYS A 33 8.763 -2.303 0.161 1.00 0.00 H new ATOM 529 N LYS A 34 10.966 0.639 -4.057 1.00 0.00 N ATOM 530 CA LYS A 34 11.667 1.898 -4.216 1.00 0.00 C ATOM 531 C LYS A 34 10.659 2.944 -4.662 1.00 0.00 C ATOM 532 O LYS A 34 10.695 4.099 -4.240 1.00 0.00 O ATOM 533 CB LYS A 34 12.800 1.747 -5.248 1.00 0.00 C ATOM 534 CG LYS A 34 13.338 3.074 -5.774 1.00 0.00 C ATOM 535 CD LYS A 34 13.010 3.283 -7.251 1.00 0.00 C ATOM 536 CE LYS A 34 13.400 2.086 -8.116 1.00 0.00 C ATOM 537 NZ LYS A 34 13.549 2.464 -9.548 1.00 0.00 N ATOM 0 H LYS A 34 11.384 -0.147 -4.554 1.00 0.00 H new ATOM 0 HA LYS A 34 12.121 2.205 -3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.619 1.188 -4.795 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.437 1.155 -6.088 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.916 3.892 -5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.419 3.107 -5.635 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.942 3.471 -7.359 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.528 4.171 -7.612 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.337 1.664 -7.752 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.643 1.308 -8.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.814 1.625 -10.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.648 2.843 -9.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.289 3.188 -9.641 1.00 0.00 H new ATOM 551 N GLU A 35 9.730 2.494 -5.495 1.00 0.00 N ATOM 552 CA GLU A 35 8.674 3.331 -5.999 1.00 0.00 C ATOM 553 C GLU A 35 7.893 3.926 -4.852 1.00 0.00 C ATOM 554 O GLU A 35 7.527 5.103 -4.862 1.00 0.00 O ATOM 555 CB GLU A 35 7.743 2.506 -6.883 1.00 0.00 C ATOM 556 CG GLU A 35 8.461 1.881 -8.047 1.00 0.00 C ATOM 557 CD GLU A 35 7.551 1.621 -9.230 1.00 0.00 C ATOM 558 OE1 GLU A 35 6.537 2.337 -9.365 1.00 0.00 O ATOM 559 OE2 GLU A 35 7.854 0.707 -10.026 1.00 0.00 O ATOM 0 H GLU A 35 9.696 1.533 -5.835 1.00 0.00 H new ATOM 0 HA GLU A 35 9.110 4.138 -6.587 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.277 1.723 -6.284 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.940 3.143 -7.255 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.276 2.535 -8.358 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.911 0.941 -7.728 1.00 0.00 H new ATOM 566 N TRP A 36 7.667 3.095 -3.850 1.00 0.00 N ATOM 567 CA TRP A 36 6.941 3.519 -2.664 1.00 0.00 C ATOM 568 C TRP A 36 7.657 4.679 -2.007 1.00 0.00 C ATOM 569 O TRP A 36 7.021 5.589 -1.475 1.00 0.00 O ATOM 570 CB TRP A 36 6.735 2.369 -1.705 1.00 0.00 C ATOM 571 CG TRP A 36 5.413 1.696 -1.872 1.00 0.00 C ATOM 572 CD1 TRP A 36 4.797 1.342 -3.033 1.00 0.00 C ATOM 573 CD2 TRP A 36 4.539 1.315 -0.821 1.00 0.00 C ATOM 574 NE1 TRP A 36 3.590 0.740 -2.758 1.00 0.00 N ATOM 575 CE2 TRP A 36 3.415 0.711 -1.394 1.00 0.00 C ATOM 576 CE3 TRP A 36 4.604 1.420 0.557 1.00 0.00 C ATOM 577 CZ2 TRP A 36 2.369 0.215 -0.610 1.00 0.00 C ATOM 578 CZ3 TRP A 36 3.567 0.934 1.305 1.00 0.00 C ATOM 579 CH2 TRP A 36 2.475 0.342 0.728 1.00 0.00 C ATOM 0 H TRP A 36 7.975 2.123 -3.833 1.00 0.00 H new ATOM 0 HA TRP A 36 5.949 3.858 -2.964 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.529 1.637 -1.849 1.00 0.00 H new ATOM 0 HB3 TRP A 36 6.822 2.736 -0.683 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.196 1.509 -4.023 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.935 0.376 -3.450 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.458 1.878 1.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.506 -0.253 -1.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 3.611 1.019 2.381 1.00 0.00 H new ATOM 0 HH2 TRP A 36 1.682 -0.031 1.359 1.00 0.00 H new ATOM 590 N GLU A 37 8.982 4.683 -2.096 1.00 0.00 N ATOM 591 CA GLU A 37 9.754 5.785 -1.545 1.00 0.00 C ATOM 592 C GLU A 37 9.282 7.084 -2.171 1.00 0.00 C ATOM 593 O GLU A 37 9.182 8.118 -1.509 1.00 0.00 O ATOM 594 CB GLU A 37 11.233 5.579 -1.834 1.00 0.00 C ATOM 595 CG GLU A 37 11.772 4.268 -1.293 1.00 0.00 C ATOM 596 CD GLU A 37 13.098 4.430 -0.576 1.00 0.00 C ATOM 597 OE1 GLU A 37 13.748 5.480 -0.758 1.00 0.00 O ATOM 598 OE2 GLU A 37 13.486 3.505 0.171 1.00 0.00 O ATOM 0 H GLU A 37 9.535 3.948 -2.537 1.00 0.00 H new ATOM 0 HA GLU A 37 9.611 5.826 -0.465 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.394 5.613 -2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.799 6.403 -1.401 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.043 3.836 -0.607 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.892 3.563 -2.115 1.00 0.00 H new ATOM 605 N ALA A 38 8.965 7.003 -3.454 1.00 0.00 N ATOM 606 CA ALA A 38 8.469 8.154 -4.191 1.00 0.00 C ATOM 607 C ALA A 38 7.167 8.627 -3.574 1.00 0.00 C ATOM 608 O ALA A 38 6.893 9.823 -3.502 1.00 0.00 O ATOM 609 CB ALA A 38 8.276 7.810 -5.660 1.00 0.00 C ATOM 0 H ALA A 38 9.043 6.150 -4.007 1.00 0.00 H new ATOM 0 HA ALA A 38 9.203 8.958 -4.132 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.904 8.685 -6.193 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.229 7.501 -6.090 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.556 6.997 -5.752 1.00 0.00 H new ATOM 615 N ALA A 39 6.386 7.667 -3.095 1.00 0.00 N ATOM 616 CA ALA A 39 5.118 7.957 -2.443 1.00 0.00 C ATOM 617 C ALA A 39 5.312 9.004 -1.360 1.00 0.00 C ATOM 618 O ALA A 39 4.392 9.745 -1.015 1.00 0.00 O ATOM 619 CB ALA A 39 4.542 6.687 -1.836 1.00 0.00 C ATOM 0 H ALA A 39 6.612 6.674 -3.147 1.00 0.00 H new ATOM 0 HA ALA A 39 4.422 8.344 -3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.593 6.914 -1.350 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.380 5.949 -2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.240 6.287 -1.100 1.00 0.00 H new ATOM 625 N VAL A 40 6.525 9.044 -0.821 1.00 0.00 N ATOM 626 CA VAL A 40 6.863 9.980 0.230 1.00 0.00 C ATOM 627 C VAL A 40 7.461 11.260 -0.350 1.00 0.00 C ATOM 628 O VAL A 40 6.855 12.328 -0.271 1.00 0.00 O ATOM 629 CB VAL A 40 7.857 9.331 1.222 1.00 0.00 C ATOM 630 CG1 VAL A 40 8.445 10.348 2.191 1.00 0.00 C ATOM 631 CG2 VAL A 40 7.182 8.194 1.977 1.00 0.00 C ATOM 0 H VAL A 40 7.292 8.432 -1.101 1.00 0.00 H new ATOM 0 HA VAL A 40 5.948 10.241 0.761 1.00 0.00 H new ATOM 0 HB VAL A 40 8.686 8.927 0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.137 9.847 2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.977 11.118 1.632 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.642 10.808 2.767 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.893 7.746 2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.328 8.582 2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.842 7.439 1.269 1.00 0.00 H new ATOM 641 N ARG A 41 8.651 11.142 -0.930 1.00 0.00 N ATOM 642 CA ARG A 41 9.339 12.288 -1.529 1.00 0.00 C ATOM 643 C ARG A 41 9.836 13.277 -0.471 1.00 0.00 C ATOM 644 O ARG A 41 10.627 14.171 -0.776 1.00 0.00 O ATOM 645 CB ARG A 41 8.416 13.008 -2.517 1.00 0.00 C ATOM 646 CG ARG A 41 9.126 14.054 -3.360 1.00 0.00 C ATOM 647 CD ARG A 41 10.238 13.437 -4.192 1.00 0.00 C ATOM 648 NE ARG A 41 11.478 13.302 -3.434 1.00 0.00 N ATOM 649 CZ ARG A 41 12.529 12.599 -3.849 1.00 0.00 C ATOM 650 NH1 ARG A 41 12.495 11.968 -5.016 1.00 0.00 N ATOM 651 NH2 ARG A 41 13.618 12.526 -3.095 1.00 0.00 N ATOM 0 H ARG A 41 9.163 10.263 -1.000 1.00 0.00 H new ATOM 0 HA ARG A 41 10.209 11.900 -2.058 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.958 12.271 -3.177 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.608 13.486 -1.964 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.407 14.543 -4.017 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.541 14.826 -2.711 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.923 12.456 -4.548 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.417 14.054 -5.073 1.00 0.00 H new ATOM 0 HE ARG A 41 11.543 13.775 -2.532 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.660 12.020 -5.600 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.304 11.431 -5.329 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.650 13.009 -2.197 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.423 11.987 -3.413 1.00 0.00 H new ATOM 665 N ARG A 42 9.376 13.119 0.768 1.00 0.00 N ATOM 666 CA ARG A 42 9.781 14.003 1.853 1.00 0.00 C ATOM 667 C ARG A 42 10.951 13.388 2.629 1.00 0.00 C ATOM 668 O ARG A 42 11.828 12.762 2.034 1.00 0.00 O ATOM 669 CB ARG A 42 8.584 14.268 2.777 1.00 0.00 C ATOM 670 CG ARG A 42 8.604 15.639 3.439 1.00 0.00 C ATOM 671 CD ARG A 42 7.986 16.700 2.541 1.00 0.00 C ATOM 672 NE ARG A 42 8.839 17.016 1.396 1.00 0.00 N ATOM 673 CZ ARG A 42 8.386 17.518 0.248 1.00 0.00 C ATOM 674 NH1 ARG A 42 7.095 17.785 0.093 1.00 0.00 N ATOM 675 NH2 ARG A 42 9.230 17.760 -0.746 1.00 0.00 N ATOM 0 H ARG A 42 8.722 12.386 1.043 1.00 0.00 H new ATOM 0 HA ARG A 42 10.116 14.954 1.439 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.664 14.168 2.201 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.560 13.502 3.552 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.059 15.597 4.382 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.631 15.915 3.676 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.016 16.353 2.185 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.807 17.606 3.121 1.00 0.00 H new ATOM 0 HE ARG A 42 9.840 16.842 1.481 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.442 17.606 0.856 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.756 18.169 -0.789 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.224 17.562 -0.631 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.885 18.144 -1.626 1.00 0.00 H new ATOM 689 N LYS A 43 10.966 13.559 3.952 1.00 0.00 N ATOM 690 CA LYS A 43 12.033 13.010 4.783 1.00 0.00 C ATOM 691 C LYS A 43 12.239 11.522 4.499 1.00 0.00 C ATOM 692 O LYS A 43 11.563 10.943 3.648 1.00 0.00 O ATOM 693 CB LYS A 43 11.717 13.230 6.268 1.00 0.00 C ATOM 694 CG LYS A 43 10.720 12.235 6.851 1.00 0.00 C ATOM 695 CD LYS A 43 9.340 12.386 6.230 1.00 0.00 C ATOM 696 CE LYS A 43 8.683 13.696 6.635 1.00 0.00 C ATOM 697 NZ LYS A 43 7.206 13.557 6.773 1.00 0.00 N ATOM 0 H LYS A 43 10.252 14.073 4.468 1.00 0.00 H new ATOM 0 HA LYS A 43 12.957 13.533 4.538 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.645 13.173 6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.325 14.239 6.398 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.082 11.220 6.688 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.651 12.380 7.929 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.422 12.340 5.144 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.709 11.552 6.537 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.105 14.037 7.580 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.908 14.460 5.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.800 14.463 7.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.795 13.289 5.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.991 12.822 7.477 1.00 0.00 H new ATOM 711 N ASN A 44 13.176 10.907 5.213 1.00 0.00 N ATOM 712 CA ASN A 44 13.462 9.486 5.029 1.00 0.00 C ATOM 713 C ASN A 44 12.326 8.621 5.566 1.00 0.00 C ATOM 714 O ASN A 44 12.518 7.858 6.512 1.00 0.00 O ATOM 715 CB ASN A 44 14.781 9.092 5.704 1.00 0.00 C ATOM 716 CG ASN A 44 15.017 9.817 7.016 1.00 0.00 C ATOM 717 OD1 ASN A 44 15.061 11.047 7.060 1.00 0.00 O ATOM 718 ND2 ASN A 44 15.169 9.056 8.093 1.00 0.00 N ATOM 0 H ASN A 44 13.749 11.366 5.921 1.00 0.00 H new ATOM 0 HA ASN A 44 13.556 9.313 3.957 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.783 8.017 5.884 1.00 0.00 H new ATOM 0 HB3 ASN A 44 15.607 9.303 5.025 1.00 0.00 H new ATOM 0 HD21 ASN A 44 15.330 9.487 9.003 1.00 0.00 H new ATOM 0 HD22 ASN A 44 15.125 8.040 8.010 1.00 0.00 H new ATOM 725 N PHE A 45 11.152 8.741 4.936 1.00 0.00 N ATOM 726 CA PHE A 45 9.952 7.973 5.303 1.00 0.00 C ATOM 727 C PHE A 45 10.192 7.032 6.488 1.00 0.00 C ATOM 728 O PHE A 45 10.283 5.817 6.315 1.00 0.00 O ATOM 729 CB PHE A 45 9.501 7.159 4.087 1.00 0.00 C ATOM 730 CG PHE A 45 10.566 6.196 3.613 1.00 0.00 C ATOM 731 CD1 PHE A 45 11.756 6.687 3.092 1.00 0.00 C ATOM 732 CD2 PHE A 45 10.401 4.812 3.694 1.00 0.00 C ATOM 733 CE1 PHE A 45 12.751 5.833 2.662 1.00 0.00 C ATOM 734 CE2 PHE A 45 11.397 3.957 3.262 1.00 0.00 C ATOM 735 CZ PHE A 45 12.573 4.468 2.746 1.00 0.00 C ATOM 0 H PHE A 45 11.005 9.377 4.152 1.00 0.00 H new ATOM 0 HA PHE A 45 9.182 8.681 5.610 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.598 6.603 4.340 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.241 7.838 3.275 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.905 7.754 3.022 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.486 4.406 4.098 1.00 0.00 H new ATOM 0 HE1 PHE A 45 13.670 6.234 2.259 1.00 0.00 H new ATOM 0 HE2 PHE A 45 11.256 2.888 3.328 1.00 0.00 H new ATOM 0 HZ PHE A 45 13.351 3.799 2.409 1.00 0.00 H new ATOM 745 N LYS A 46 10.291 7.604 7.686 1.00 0.00 N ATOM 746 CA LYS A 46 10.520 6.818 8.898 1.00 0.00 C ATOM 747 C LYS A 46 9.440 5.745 9.056 1.00 0.00 C ATOM 748 O LYS A 46 8.302 6.051 9.413 1.00 0.00 O ATOM 749 CB LYS A 46 10.536 7.740 10.125 1.00 0.00 C ATOM 750 CG LYS A 46 11.432 7.264 11.264 1.00 0.00 C ATOM 751 CD LYS A 46 12.851 7.802 11.129 1.00 0.00 C ATOM 752 CE LYS A 46 13.612 7.109 10.011 1.00 0.00 C ATOM 753 NZ LYS A 46 13.649 5.632 10.196 1.00 0.00 N ATOM 0 H LYS A 46 10.216 8.609 7.844 1.00 0.00 H new ATOM 0 HA LYS A 46 11.487 6.322 8.814 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.862 8.732 9.814 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.518 7.843 10.500 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.011 7.585 12.217 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.456 6.174 11.277 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.817 8.874 10.935 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.383 7.665 12.070 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.145 7.343 9.054 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.630 7.495 9.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.261 5.207 9.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.025 5.410 11.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.687 5.247 10.107 1.00 0.00 H new ATOM 767 N PRO A 47 9.775 4.472 8.770 1.00 0.00 N ATOM 768 CA PRO A 47 8.827 3.343 8.851 1.00 0.00 C ATOM 769 C PRO A 47 8.207 3.129 10.235 1.00 0.00 C ATOM 770 O PRO A 47 7.392 2.226 10.419 1.00 0.00 O ATOM 771 CB PRO A 47 9.696 2.144 8.475 1.00 0.00 C ATOM 772 CG PRO A 47 10.704 2.743 7.589 1.00 0.00 C ATOM 773 CD PRO A 47 11.092 4.009 8.304 1.00 0.00 C ATOM 0 HA PRO A 47 7.965 3.514 8.206 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.150 1.682 9.352 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.120 1.369 7.969 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.560 2.082 7.450 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.297 2.950 6.599 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.781 3.825 9.128 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.573 4.728 7.641 1.00 0.00 H new ATOM 781 N THR A 48 8.595 3.948 11.203 1.00 0.00 N ATOM 782 CA THR A 48 8.074 3.827 12.561 1.00 0.00 C ATOM 783 C THR A 48 6.556 3.998 12.581 1.00 0.00 C ATOM 784 O THR A 48 5.827 3.111 13.026 1.00 0.00 O ATOM 785 CB THR A 48 8.730 4.877 13.467 1.00 0.00 C ATOM 786 OG1 THR A 48 8.127 4.882 14.748 1.00 0.00 O ATOM 787 CG2 THR A 48 8.636 6.280 12.909 1.00 0.00 C ATOM 0 H THR A 48 9.268 4.703 11.075 1.00 0.00 H new ATOM 0 HA THR A 48 8.311 2.830 12.932 1.00 0.00 H new ATOM 0 HB THR A 48 9.781 4.594 13.530 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.560 5.557 15.311 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.118 6.977 13.595 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.135 6.321 11.941 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.588 6.554 12.789 1.00 0.00 H new ATOM 795 N LYS A 49 6.089 5.142 12.096 1.00 0.00 N ATOM 796 CA LYS A 49 4.665 5.437 12.051 1.00 0.00 C ATOM 797 C LYS A 49 4.223 5.719 10.617 1.00 0.00 C ATOM 798 O LYS A 49 3.057 5.536 10.268 1.00 0.00 O ATOM 799 CB LYS A 49 4.346 6.642 12.939 1.00 0.00 C ATOM 800 CG LYS A 49 4.970 6.557 14.324 1.00 0.00 C ATOM 801 CD LYS A 49 4.241 7.442 15.327 1.00 0.00 C ATOM 802 CE LYS A 49 4.097 8.874 14.827 1.00 0.00 C ATOM 803 NZ LYS A 49 3.004 9.005 13.824 1.00 0.00 N ATOM 0 H LYS A 49 6.682 5.885 11.726 1.00 0.00 H new ATOM 0 HA LYS A 49 4.122 4.568 12.422 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.696 7.549 12.446 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.265 6.732 13.041 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.950 5.523 14.669 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.017 6.855 14.270 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.253 7.027 15.526 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.783 7.441 16.272 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.897 9.535 15.671 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.038 9.200 14.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.484 9.890 13.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.411 9.017 12.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.353 8.199 13.913 1.00 0.00 H new ATOM 817 N TYR A 50 5.165 6.179 9.792 1.00 0.00 N ATOM 818 CA TYR A 50 4.875 6.498 8.405 1.00 0.00 C ATOM 819 C TYR A 50 4.845 5.250 7.522 1.00 0.00 C ATOM 820 O TYR A 50 4.315 5.299 6.416 1.00 0.00 O ATOM 821 CB TYR A 50 5.894 7.500 7.864 1.00 0.00 C ATOM 822 CG TYR A 50 5.716 8.896 8.418 1.00 0.00 C ATOM 823 CD1 TYR A 50 4.462 9.493 8.456 1.00 0.00 C ATOM 824 CD2 TYR A 50 6.800 9.616 8.902 1.00 0.00 C ATOM 825 CE1 TYR A 50 4.294 10.769 8.962 1.00 0.00 C ATOM 826 CE2 TYR A 50 6.641 10.892 9.410 1.00 0.00 C ATOM 827 CZ TYR A 50 5.386 11.463 9.437 1.00 0.00 C ATOM 828 OH TYR A 50 5.222 12.734 9.941 1.00 0.00 O ATOM 0 H TYR A 50 6.135 6.337 10.067 1.00 0.00 H new ATOM 0 HA TYR A 50 3.881 6.944 8.378 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.898 7.149 8.100 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.816 7.536 6.777 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.604 8.952 8.084 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.784 9.172 8.881 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.313 11.219 8.985 1.00 0.00 H new ATOM 0 HE2 TYR A 50 7.495 11.438 9.783 1.00 0.00 H new ATOM 0 HH TYR A 50 6.089 13.084 10.235 1.00 0.00 H new ATOM 838 N SER A 51 5.422 4.142 8.004 1.00 0.00 N ATOM 839 CA SER A 51 5.453 2.887 7.235 1.00 0.00 C ATOM 840 C SER A 51 4.058 2.480 6.739 1.00 0.00 C ATOM 841 O SER A 51 3.516 1.453 7.149 1.00 0.00 O ATOM 842 CB SER A 51 6.041 1.756 8.086 1.00 0.00 C ATOM 843 OG SER A 51 5.671 0.484 7.582 1.00 0.00 O ATOM 0 H SER A 51 5.872 4.087 8.918 1.00 0.00 H new ATOM 0 HA SER A 51 6.084 3.061 6.363 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.128 1.840 8.105 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.696 1.856 9.115 1.00 0.00 H new ATOM 0 HG SER A 51 4.704 0.361 7.682 1.00 0.00 H new ATOM 849 N SER A 52 3.488 3.283 5.849 1.00 0.00 N ATOM 850 CA SER A 52 2.172 3.005 5.286 1.00 0.00 C ATOM 851 C SER A 52 1.816 4.042 4.234 1.00 0.00 C ATOM 852 O SER A 52 2.320 5.161 4.256 1.00 0.00 O ATOM 853 CB SER A 52 1.101 2.977 6.378 1.00 0.00 C ATOM 854 OG SER A 52 1.039 4.216 7.063 1.00 0.00 O ATOM 0 H SER A 52 3.920 4.138 5.499 1.00 0.00 H new ATOM 0 HA SER A 52 2.209 2.022 4.817 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.131 2.754 5.934 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.319 2.177 7.086 1.00 0.00 H new ATOM 0 HG SER A 52 0.346 4.173 7.755 1.00 0.00 H new ATOM 860 N ILE A 53 0.949 3.663 3.313 1.00 0.00 N ATOM 861 CA ILE A 53 0.528 4.550 2.250 1.00 0.00 C ATOM 862 C ILE A 53 -0.989 4.502 2.136 1.00 0.00 C ATOM 863 O ILE A 53 -1.607 3.516 2.539 1.00 0.00 O ATOM 864 CB ILE A 53 1.153 4.098 0.915 1.00 0.00 C ATOM 865 CG1 ILE A 53 2.657 3.814 1.077 1.00 0.00 C ATOM 866 CG2 ILE A 53 0.898 5.098 -0.217 1.00 0.00 C ATOM 867 CD1 ILE A 53 3.550 5.035 1.126 1.00 0.00 C ATOM 0 H ILE A 53 0.521 2.738 3.282 1.00 0.00 H new ATOM 0 HA ILE A 53 0.853 5.566 2.473 1.00 0.00 H new ATOM 0 HB ILE A 53 0.658 3.169 0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.804 3.241 1.993 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.981 3.182 0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.358 4.733 -1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.176 5.210 -0.369 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.329 6.064 0.047 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.588 4.722 1.242 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.443 5.602 0.201 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.264 5.662 1.971 1.00 0.00 H new ATOM 879 N CYS A 54 -1.596 5.550 1.597 1.00 0.00 N ATOM 880 CA CYS A 54 -3.039 5.570 1.462 1.00 0.00 C ATOM 881 C CYS A 54 -3.435 5.434 -0.020 1.00 0.00 C ATOM 882 O CYS A 54 -2.632 5.723 -0.906 1.00 0.00 O ATOM 883 CB CYS A 54 -3.601 6.832 2.123 1.00 0.00 C ATOM 884 SG CYS A 54 -3.770 8.260 1.040 1.00 0.00 S ATOM 0 H CYS A 54 -1.118 6.383 1.252 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.478 4.717 1.979 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.579 6.597 2.542 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.954 7.104 2.957 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.591 8.673 0.679 1.00 0.00 H new ATOM 889 N SER A 55 -4.648 4.938 -0.284 1.00 0.00 N ATOM 890 CA SER A 55 -5.112 4.702 -1.654 1.00 0.00 C ATOM 891 C SER A 55 -5.018 5.931 -2.562 1.00 0.00 C ATOM 892 O SER A 55 -4.759 5.801 -3.757 1.00 0.00 O ATOM 893 CB SER A 55 -6.553 4.197 -1.633 1.00 0.00 C ATOM 894 OG SER A 55 -7.118 4.210 -2.933 1.00 0.00 O ATOM 0 H SER A 55 -5.328 4.692 0.436 1.00 0.00 H new ATOM 0 HA SER A 55 -4.442 3.952 -2.075 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.581 3.184 -1.231 1.00 0.00 H new ATOM 0 HB3 SER A 55 -7.150 4.820 -0.967 1.00 0.00 H new ATOM 0 HG SER A 55 -7.068 3.311 -3.321 1.00 0.00 H new ATOM 900 N GLU A 56 -5.268 7.113 -2.011 1.00 0.00 N ATOM 901 CA GLU A 56 -5.249 8.344 -2.769 1.00 0.00 C ATOM 902 C GLU A 56 -4.094 8.437 -3.776 1.00 0.00 C ATOM 903 O GLU A 56 -4.200 9.152 -4.772 1.00 0.00 O ATOM 904 CB GLU A 56 -5.198 9.508 -1.795 1.00 0.00 C ATOM 905 CG GLU A 56 -6.357 9.518 -0.824 1.00 0.00 C ATOM 906 CD GLU A 56 -6.743 10.919 -0.390 1.00 0.00 C ATOM 907 OE1 GLU A 56 -5.840 11.689 -0.001 1.00 0.00 O ATOM 908 OE2 GLU A 56 -7.947 11.244 -0.439 1.00 0.00 O ATOM 0 H GLU A 56 -5.489 7.238 -1.023 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.159 8.373 -3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.263 9.466 -1.236 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.192 10.443 -2.355 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.218 9.035 -1.287 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.095 8.929 0.055 1.00 0.00 H new ATOM 915 N HIS A 57 -2.989 7.742 -3.512 1.00 0.00 N ATOM 916 CA HIS A 57 -1.828 7.798 -4.409 1.00 0.00 C ATOM 917 C HIS A 57 -1.695 6.536 -5.261 1.00 0.00 C ATOM 918 O HIS A 57 -0.866 6.482 -6.169 1.00 0.00 O ATOM 919 CB HIS A 57 -0.545 8.013 -3.587 1.00 0.00 C ATOM 920 CG HIS A 57 -0.758 8.907 -2.422 1.00 0.00 C ATOM 921 ND1 HIS A 57 -1.218 10.201 -2.528 1.00 0.00 N ATOM 922 CD2 HIS A 57 -0.624 8.652 -1.108 1.00 0.00 C ATOM 923 CE1 HIS A 57 -1.364 10.705 -1.310 1.00 0.00 C ATOM 924 NE2 HIS A 57 -1.011 9.779 -0.426 1.00 0.00 N ATOM 0 H HIS A 57 -2.870 7.140 -2.697 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.979 8.636 -5.089 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.176 7.049 -3.238 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.227 8.437 -4.229 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -1.414 10.691 -3.401 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.275 7.729 -0.669 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.711 11.701 -1.076 1.00 0.00 H new ATOM 932 N PHE A 58 -2.506 5.525 -4.973 1.00 0.00 N ATOM 933 CA PHE A 58 -2.455 4.278 -5.724 1.00 0.00 C ATOM 934 C PHE A 58 -3.432 4.301 -6.899 1.00 0.00 C ATOM 935 O PHE A 58 -4.360 5.110 -6.926 1.00 0.00 O ATOM 936 CB PHE A 58 -2.787 3.099 -4.810 1.00 0.00 C ATOM 937 CG PHE A 58 -1.604 2.621 -4.032 1.00 0.00 C ATOM 938 CD1 PHE A 58 -0.687 1.760 -4.606 1.00 0.00 C ATOM 939 CD2 PHE A 58 -1.399 3.049 -2.734 1.00 0.00 C ATOM 940 CE1 PHE A 58 0.418 1.336 -3.898 1.00 0.00 C ATOM 941 CE2 PHE A 58 -0.300 2.628 -2.021 1.00 0.00 C ATOM 942 CZ PHE A 58 0.612 1.773 -2.604 1.00 0.00 C ATOM 0 H PHE A 58 -3.203 5.544 -4.229 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.444 4.165 -6.115 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.577 3.392 -4.119 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.178 2.278 -5.411 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.837 1.416 -5.619 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.109 3.721 -2.274 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.129 0.664 -4.355 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.152 2.967 -1.006 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.478 1.446 -2.048 1.00 0.00 H new ATOM 952 N THR A 59 -3.234 3.397 -7.858 1.00 0.00 N ATOM 953 CA THR A 59 -4.121 3.314 -9.016 1.00 0.00 C ATOM 954 C THR A 59 -5.289 2.375 -8.723 1.00 0.00 C ATOM 955 O THR A 59 -5.128 1.351 -8.060 1.00 0.00 O ATOM 956 CB THR A 59 -3.376 2.818 -10.263 1.00 0.00 C ATOM 957 OG1 THR A 59 -2.559 1.705 -9.947 1.00 0.00 O ATOM 958 CG2 THR A 59 -2.491 3.862 -10.925 1.00 0.00 C ATOM 0 H THR A 59 -2.473 2.717 -7.856 1.00 0.00 H new ATOM 0 HA THR A 59 -4.495 4.319 -9.212 1.00 0.00 H new ATOM 0 HB THR A 59 -4.166 2.555 -10.967 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.093 1.401 -10.754 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.004 3.426 -11.797 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.100 4.711 -11.236 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.734 4.199 -10.217 1.00 0.00 H new ATOM 966 N PRO A 60 -6.479 2.718 -9.229 1.00 0.00 N ATOM 967 CA PRO A 60 -7.695 1.915 -9.043 1.00 0.00 C ATOM 968 C PRO A 60 -7.484 0.457 -9.431 1.00 0.00 C ATOM 969 O PRO A 60 -7.995 -0.454 -8.781 1.00 0.00 O ATOM 970 CB PRO A 60 -8.690 2.572 -10.003 1.00 0.00 C ATOM 971 CG PRO A 60 -8.227 3.970 -10.105 1.00 0.00 C ATOM 972 CD PRO A 60 -6.734 3.919 -10.038 1.00 0.00 C ATOM 0 HA PRO A 60 -8.021 1.896 -8.003 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.689 2.080 -10.976 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.709 2.517 -9.619 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.560 4.423 -11.039 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.633 4.575 -9.294 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.288 3.840 -11.029 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.320 4.814 -9.573 1.00 0.00 H new ATOM 980 N ASP A 61 -6.731 0.249 -10.506 1.00 0.00 N ATOM 981 CA ASP A 61 -6.452 -1.094 -11.003 1.00 0.00 C ATOM 982 C ASP A 61 -5.512 -1.857 -10.072 1.00 0.00 C ATOM 983 O ASP A 61 -5.426 -3.084 -10.138 1.00 0.00 O ATOM 984 CB ASP A 61 -5.847 -1.021 -12.406 1.00 0.00 C ATOM 985 CG ASP A 61 -5.726 -2.386 -13.056 1.00 0.00 C ATOM 986 OD1 ASP A 61 -6.350 -3.344 -12.550 1.00 0.00 O ATOM 987 OD2 ASP A 61 -5.007 -2.498 -14.072 1.00 0.00 O ATOM 0 H ASP A 61 -6.302 0.996 -11.052 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.398 -1.635 -11.041 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.465 -0.377 -13.032 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.861 -0.560 -12.350 1.00 0.00 H new ATOM 992 N CYS A 62 -4.803 -1.133 -9.215 1.00 0.00 N ATOM 993 CA CYS A 62 -3.868 -1.752 -8.285 1.00 0.00 C ATOM 994 C CYS A 62 -4.594 -2.443 -7.125 1.00 0.00 C ATOM 995 O CYS A 62 -3.959 -3.073 -6.279 1.00 0.00 O ATOM 996 CB CYS A 62 -2.866 -0.701 -7.774 1.00 0.00 C ATOM 997 SG CYS A 62 -2.973 -0.321 -6.005 1.00 0.00 S ATOM 0 H CYS A 62 -4.858 -0.117 -9.145 1.00 0.00 H new ATOM 0 HA CYS A 62 -3.319 -2.529 -8.817 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.857 -1.049 -7.993 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.014 0.221 -8.336 1.00 0.00 H new ATOM 0 HG CYS A 62 -4.202 -0.460 -5.605 1.00 0.00 H new ATOM 1003 N PHE A 63 -5.923 -2.328 -7.086 1.00 0.00 N ATOM 1004 CA PHE A 63 -6.711 -2.950 -6.026 1.00 0.00 C ATOM 1005 C PHE A 63 -7.565 -4.088 -6.579 1.00 0.00 C ATOM 1006 O PHE A 63 -8.746 -4.206 -6.251 1.00 0.00 O ATOM 1007 CB PHE A 63 -7.611 -1.909 -5.350 1.00 0.00 C ATOM 1008 CG PHE A 63 -6.884 -0.933 -4.458 1.00 0.00 C ATOM 1009 CD1 PHE A 63 -5.514 -1.025 -4.256 1.00 0.00 C ATOM 1010 CD2 PHE A 63 -7.581 0.081 -3.820 1.00 0.00 C ATOM 1011 CE1 PHE A 63 -4.858 -0.126 -3.436 1.00 0.00 C ATOM 1012 CE2 PHE A 63 -6.930 0.982 -3.000 1.00 0.00 C ATOM 1013 CZ PHE A 63 -5.566 0.879 -2.808 1.00 0.00 C ATOM 0 H PHE A 63 -6.472 -1.812 -7.774 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.020 -3.359 -5.289 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -8.141 -1.350 -6.122 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.365 -2.429 -4.759 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.954 -1.808 -4.745 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.648 0.168 -3.966 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.792 -0.210 -3.287 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.487 1.766 -2.509 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.055 1.583 -2.168 1.00 0.00 H new ATOM 1164 N LEU A 72 -1.234 -5.095 -2.737 1.00 0.00 N ATOM 1165 CA LEU A 72 -0.278 -4.157 -3.307 1.00 0.00 C ATOM 1166 C LEU A 72 0.759 -4.910 -4.141 1.00 0.00 C ATOM 1167 O LEU A 72 1.958 -4.640 -4.062 1.00 0.00 O ATOM 1168 CB LEU A 72 0.398 -3.330 -2.211 1.00 0.00 C ATOM 1169 CG LEU A 72 1.318 -4.117 -1.275 1.00 0.00 C ATOM 1170 CD1 LEU A 72 2.764 -3.685 -1.461 1.00 0.00 C ATOM 1171 CD2 LEU A 72 0.891 -3.934 0.173 1.00 0.00 C ATOM 0 HA LEU A 72 -0.814 -3.466 -3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.978 -2.537 -2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.375 -2.847 -1.613 1.00 0.00 H new ATOM 0 HG LEU A 72 1.239 -5.175 -1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.404 -4.255 -0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.069 -3.867 -2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.858 -2.622 -1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.557 -4.501 0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.940 -2.877 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.131 -4.292 0.299 1.00 0.00 H new ATOM 1183 N LYS A 73 0.277 -5.870 -4.928 1.00 0.00 N ATOM 1184 CA LYS A 73 1.134 -6.695 -5.778 1.00 0.00 C ATOM 1185 C LYS A 73 2.020 -5.858 -6.692 1.00 0.00 C ATOM 1186 O LYS A 73 2.019 -4.629 -6.635 1.00 0.00 O ATOM 1187 CB LYS A 73 0.277 -7.644 -6.618 1.00 0.00 C ATOM 1188 CG LYS A 73 0.847 -9.050 -6.717 1.00 0.00 C ATOM 1189 CD LYS A 73 0.213 -9.982 -5.697 1.00 0.00 C ATOM 1190 CE LYS A 73 0.761 -11.396 -5.818 1.00 0.00 C ATOM 1191 NZ LYS A 73 0.673 -11.909 -7.212 1.00 0.00 N ATOM 0 H LYS A 73 -0.715 -6.098 -4.995 1.00 0.00 H new ATOM 0 HA LYS A 73 1.789 -7.267 -5.120 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.723 -7.696 -6.187 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.171 -7.232 -7.622 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.681 -9.441 -7.721 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.925 -9.018 -6.561 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.399 -9.603 -4.692 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.868 -9.996 -5.838 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.801 -11.411 -5.491 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.207 -12.058 -5.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.829 -12.937 -7.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.269 -11.701 -7.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.398 -11.448 -7.798 1.00 0.00 H new ATOM 1205 N GLU A 74 2.780 -6.554 -7.534 1.00 0.00 N ATOM 1206 CA GLU A 74 3.695 -5.918 -8.482 1.00 0.00 C ATOM 1207 C GLU A 74 3.034 -4.743 -9.195 1.00 0.00 C ATOM 1208 O GLU A 74 3.699 -3.780 -9.576 1.00 0.00 O ATOM 1209 CB GLU A 74 4.186 -6.947 -9.507 1.00 0.00 C ATOM 1210 CG GLU A 74 4.994 -6.343 -10.646 1.00 0.00 C ATOM 1211 CD GLU A 74 4.136 -5.992 -11.846 1.00 0.00 C ATOM 1212 OE1 GLU A 74 2.902 -5.895 -11.686 1.00 0.00 O ATOM 1213 OE2 GLU A 74 4.699 -5.813 -12.947 1.00 0.00 O ATOM 0 H GLU A 74 2.780 -7.573 -7.579 1.00 0.00 H new ATOM 0 HA GLU A 74 4.545 -5.532 -7.920 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.796 -7.692 -8.996 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.325 -7.471 -9.923 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.501 -5.446 -10.291 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.768 -7.047 -10.951 1.00 0.00 H new ATOM 1220 N ASN A 75 1.726 -4.828 -9.366 1.00 0.00 N ATOM 1221 CA ASN A 75 0.974 -3.769 -10.023 1.00 0.00 C ATOM 1222 C ASN A 75 0.983 -2.521 -9.161 1.00 0.00 C ATOM 1223 O ASN A 75 1.150 -1.402 -9.650 1.00 0.00 O ATOM 1224 CB ASN A 75 -0.466 -4.215 -10.271 1.00 0.00 C ATOM 1225 CG ASN A 75 -0.559 -5.320 -11.305 1.00 0.00 C ATOM 1226 OD1 ASN A 75 0.114 -5.281 -12.334 1.00 0.00 O ATOM 1227 ND2 ASN A 75 -1.397 -6.314 -11.034 1.00 0.00 N ATOM 0 H ASN A 75 1.161 -5.620 -9.059 1.00 0.00 H new ATOM 0 HA ASN A 75 1.444 -3.549 -10.982 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.903 -4.560 -9.334 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -1.056 -3.361 -10.602 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -1.502 -7.086 -11.692 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -1.936 -6.305 -10.168 1.00 0.00 H new ATOM 1234 N ALA A 76 0.795 -2.738 -7.872 1.00 0.00 N ATOM 1235 CA ALA A 76 0.765 -1.670 -6.893 1.00 0.00 C ATOM 1236 C ALA A 76 1.865 -0.655 -7.119 1.00 0.00 C ATOM 1237 O ALA A 76 3.013 -1.011 -7.375 1.00 0.00 O ATOM 1238 CB ALA A 76 0.840 -2.239 -5.491 1.00 0.00 C ATOM 0 H ALA A 76 0.658 -3.667 -7.474 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.182 -1.144 -7.013 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.817 -1.425 -4.766 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.009 -2.901 -5.321 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.767 -2.801 -5.376 1.00 0.00 H new ATOM 1244 N VAL A 77 1.486 0.614 -7.036 1.00 0.00 N ATOM 1245 CA VAL A 77 2.411 1.709 -7.245 1.00 0.00 C ATOM 1246 C VAL A 77 1.730 3.043 -6.904 1.00 0.00 C ATOM 1247 O VAL A 77 0.563 3.249 -7.238 1.00 0.00 O ATOM 1248 CB VAL A 77 2.867 1.719 -8.724 1.00 0.00 C ATOM 1249 CG1 VAL A 77 3.262 3.115 -9.193 1.00 0.00 C ATOM 1250 CG2 VAL A 77 4.009 0.743 -8.947 1.00 0.00 C ATOM 0 H VAL A 77 0.533 0.907 -6.823 1.00 0.00 H new ATOM 0 HA VAL A 77 3.277 1.578 -6.597 1.00 0.00 H new ATOM 0 HB VAL A 77 2.013 1.401 -9.322 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.575 3.073 -10.236 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.409 3.786 -9.097 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.085 3.485 -8.582 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.311 0.769 -9.994 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.855 1.023 -8.319 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.682 -0.264 -8.689 1.00 0.00 H new ATOM 1260 N PRO A 78 2.447 3.971 -6.244 1.00 0.00 N ATOM 1261 CA PRO A 78 1.906 5.279 -5.876 1.00 0.00 C ATOM 1262 C PRO A 78 2.065 6.318 -6.988 1.00 0.00 C ATOM 1263 O PRO A 78 2.291 7.495 -6.714 1.00 0.00 O ATOM 1264 CB PRO A 78 2.754 5.658 -4.678 1.00 0.00 C ATOM 1265 CG PRO A 78 4.089 5.054 -4.958 1.00 0.00 C ATOM 1266 CD PRO A 78 3.845 3.825 -5.801 1.00 0.00 C ATOM 0 HA PRO A 78 0.834 5.243 -5.681 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.823 6.740 -4.568 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.329 5.270 -3.752 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.731 5.762 -5.483 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.597 4.791 -4.030 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.530 3.779 -6.648 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.988 2.911 -5.225 1.00 0.00 H new ATOM 1274 N THR A 79 1.964 5.850 -8.236 1.00 0.00 N ATOM 1275 CA THR A 79 2.100 6.677 -9.447 1.00 0.00 C ATOM 1276 C THR A 79 2.161 8.188 -9.181 1.00 0.00 C ATOM 1277 O THR A 79 3.052 8.871 -9.683 1.00 0.00 O ATOM 1278 CB THR A 79 0.946 6.377 -10.406 1.00 0.00 C ATOM 1279 OG1 THR A 79 -0.182 5.896 -9.695 1.00 0.00 O ATOM 1280 CG2 THR A 79 1.295 5.348 -11.460 1.00 0.00 C ATOM 0 H THR A 79 1.782 4.867 -8.440 1.00 0.00 H new ATOM 0 HA THR A 79 3.061 6.407 -9.886 1.00 0.00 H new ATOM 0 HB THR A 79 0.729 7.323 -10.902 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.998 6.285 -10.074 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.433 5.182 -12.106 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.132 5.709 -12.057 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.571 4.411 -10.976 1.00 0.00 H new ATOM 1288 N ILE A 80 1.194 8.706 -8.427 1.00 0.00 N ATOM 1289 CA ILE A 80 1.119 10.131 -8.136 1.00 0.00 C ATOM 1290 C ILE A 80 2.490 10.763 -7.862 1.00 0.00 C ATOM 1291 O ILE A 80 2.749 11.891 -8.281 1.00 0.00 O ATOM 1292 CB ILE A 80 0.160 10.411 -6.974 1.00 0.00 C ATOM 1293 CG1 ILE A 80 -1.251 10.432 -7.534 1.00 0.00 C ATOM 1294 CG2 ILE A 80 0.476 11.738 -6.286 1.00 0.00 C ATOM 1295 CD1 ILE A 80 -2.304 10.649 -6.491 1.00 0.00 C ATOM 0 H ILE A 80 0.448 8.153 -8.005 1.00 0.00 H new ATOM 0 HA ILE A 80 0.728 10.601 -9.038 1.00 0.00 H new ATOM 0 HB ILE A 80 0.268 9.631 -6.220 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.325 11.221 -8.283 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.445 9.489 -8.044 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.226 11.900 -5.468 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.492 11.711 -5.892 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.388 12.551 -7.006 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.287 10.653 -6.962 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.257 9.847 -5.754 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.135 11.606 -5.997 1.00 0.00 H new ATOM 1307 N PHE A 81 3.365 10.041 -7.163 1.00 0.00 N ATOM 1308 CA PHE A 81 4.688 10.552 -6.853 1.00 0.00 C ATOM 1309 C PHE A 81 5.744 9.933 -7.765 1.00 0.00 C ATOM 1310 O PHE A 81 6.815 10.506 -7.968 1.00 0.00 O ATOM 1311 CB PHE A 81 5.060 10.310 -5.383 1.00 0.00 C ATOM 1312 CG PHE A 81 4.030 10.784 -4.399 1.00 0.00 C ATOM 1313 CD1 PHE A 81 2.747 10.267 -4.416 1.00 0.00 C ATOM 1314 CD2 PHE A 81 4.353 11.737 -3.445 1.00 0.00 C ATOM 1315 CE1 PHE A 81 1.804 10.693 -3.507 1.00 0.00 C ATOM 1316 CE2 PHE A 81 3.412 12.164 -2.529 1.00 0.00 C ATOM 1317 CZ PHE A 81 2.134 11.642 -2.562 1.00 0.00 C ATOM 0 H PHE A 81 3.177 9.105 -6.804 1.00 0.00 H new ATOM 0 HA PHE A 81 4.661 11.628 -7.025 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.225 9.243 -5.233 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.005 10.811 -5.172 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.482 9.521 -5.150 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.351 12.150 -3.418 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.805 10.284 -3.534 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.675 12.905 -1.788 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.394 11.976 -1.849 1.00 0.00 H new ATOM 1327 N LEU A 82 5.436 8.761 -8.314 1.00 0.00 N ATOM 1328 CA LEU A 82 6.357 8.065 -9.205 1.00 0.00 C ATOM 1329 C LEU A 82 6.797 8.974 -10.352 1.00 0.00 C ATOM 1330 O LEU A 82 6.099 9.104 -11.358 1.00 0.00 O ATOM 1331 CB LEU A 82 5.697 6.799 -9.758 1.00 0.00 C ATOM 1332 CG LEU A 82 6.536 5.996 -10.759 1.00 0.00 C ATOM 1333 CD1 LEU A 82 6.298 6.498 -12.175 1.00 0.00 C ATOM 1334 CD2 LEU A 82 8.016 6.059 -10.404 1.00 0.00 C ATOM 0 H LEU A 82 4.554 8.273 -8.157 1.00 0.00 H new ATOM 0 HA LEU A 82 7.242 7.785 -8.633 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.442 6.149 -8.921 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.761 7.080 -10.240 1.00 0.00 H new ATOM 0 HG LEU A 82 6.224 4.953 -10.707 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.901 5.917 -12.873 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.243 6.388 -12.428 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.579 7.549 -12.240 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.589 5.481 -11.129 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.350 7.096 -10.421 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.169 5.644 -9.408 1.00 0.00 H new