USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 733 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 143 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 151 MET CE :methyl -171:sc= 0 (180deg=-0.0944) USER MOD Set 2.1: A 124 SER OG : rot -140:sc= -0.0798 USER MOD Set 2.2: A 126 ASN : amide:sc= -0.998 K(o=-1.1,f=0.05) USER MOD Set 3.1: A 100 ASN : amide:sc= -4.93! C(o=-4.9!,f=-15!) USER MOD Set 3.2: A 101 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 93 GLN : amide:sc= -0.334 K(o=-0.33,f=-3.3!) USER MOD Single : A 66 LYS NZ :NH3+ 148:sc= -0.2 (180deg=-1.41) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.22) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -4.03! C(o=-4!,f=-4!) USER MOD Single : A 81 LYS NZ :NH3+ -162:sc= -0.0821 (180deg=-0.525) USER MOD Single : A 83 SER OG : rot 180:sc= -0.0271 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ -145:sc= -4.09! (180deg=-6.87!) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ -134:sc= -1.86 (180deg=-3.28!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.0467 X(o=-0.047,f=-0.53) USER MOD Single : A 112 TYR OH : rot 152:sc= -0.258 USER MOD Single : A 113 GLN : amide:sc= -0.236 K(o=-0.24,f=-0.9) USER MOD Single : A 120 SER OG : rot -42:sc= 0.777 USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ -160:sc= -0.0939 (180deg=-0.737) USER MOD Single : A 127 TYR OH : rot -12:sc= -1.95 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot -42:sc= -1.28! USER MOD Single : A 135 THR OG1 : rot -41:sc= 0.461 USER MOD Single : A 136 ASN : amide:sc= -1.78 K(o=-1.8,f=-4.7!) USER MOD Single : A 137 MET CE :methyl 147:sc= -0.202 (180deg=-1.33) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 THR OG1 : rot 78:sc= 0.595 USER MOD Single : A 149 LYS NZ :NH3+ -165:sc= -0.02 (180deg=-0.275) USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 65 9.617 3.391 -6.740 1.00 0.00 N ATOM 16 CA PHE A 65 8.317 2.962 -6.138 1.00 0.00 C ATOM 17 C PHE A 65 8.571 2.261 -4.800 1.00 0.00 C ATOM 18 O PHE A 65 7.895 2.502 -3.817 1.00 0.00 O ATOM 19 CB PHE A 65 7.614 1.991 -7.094 1.00 0.00 C ATOM 20 CG PHE A 65 8.463 0.751 -7.294 1.00 0.00 C ATOM 21 CD1 PHE A 65 8.345 -0.332 -6.412 1.00 0.00 C ATOM 22 CD2 PHE A 65 9.363 0.682 -8.366 1.00 0.00 C ATOM 23 CE1 PHE A 65 9.125 -1.481 -6.605 1.00 0.00 C ATOM 24 CE2 PHE A 65 10.142 -0.467 -8.556 1.00 0.00 C ATOM 25 CZ PHE A 65 10.025 -1.547 -7.675 1.00 0.00 C ATOM 0 HA PHE A 65 7.689 3.837 -5.972 1.00 0.00 H new ATOM 0 HB2 PHE A 65 6.640 1.713 -6.691 1.00 0.00 H new ATOM 0 HB3 PHE A 65 7.436 2.478 -8.053 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.653 -0.281 -5.584 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.456 1.515 -9.046 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.031 -2.316 -5.927 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.834 -0.519 -9.384 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.628 -2.431 -7.820 1.00 0.00 H new ATOM 35 N LYS A 66 9.542 1.393 -4.763 1.00 0.00 N ATOM 36 CA LYS A 66 9.863 0.658 -3.502 1.00 0.00 C ATOM 37 C LYS A 66 10.304 1.649 -2.426 1.00 0.00 C ATOM 38 O LYS A 66 9.960 1.529 -1.265 1.00 0.00 O ATOM 39 CB LYS A 66 10.999 -0.332 -3.775 1.00 0.00 C ATOM 40 CG LYS A 66 11.263 -1.176 -2.525 1.00 0.00 C ATOM 41 CD LYS A 66 12.370 -2.196 -2.811 1.00 0.00 C ATOM 42 CE LYS A 66 12.619 -3.041 -1.560 1.00 0.00 C ATOM 43 NZ LYS A 66 11.402 -3.845 -1.254 1.00 0.00 N ATOM 0 H LYS A 66 10.135 1.157 -5.559 1.00 0.00 H new ATOM 0 HA LYS A 66 8.978 0.122 -3.157 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.737 -0.978 -4.613 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.903 0.207 -4.059 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.555 -0.532 -1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.351 -1.691 -2.223 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.083 -2.837 -3.645 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.286 -1.683 -3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 66 13.473 -3.700 -1.717 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.864 -2.397 -0.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.682 -4.747 -0.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.794 -3.317 -0.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.880 -4.032 -2.133 1.00 0.00 H new ATOM 57 N GLN A 67 11.074 2.627 -2.806 1.00 0.00 N ATOM 58 CA GLN A 67 11.555 3.637 -1.822 1.00 0.00 C ATOM 59 C GLN A 67 10.362 4.428 -1.277 1.00 0.00 C ATOM 60 O GLN A 67 10.282 4.735 -0.102 1.00 0.00 O ATOM 61 CB GLN A 67 12.521 4.593 -2.526 1.00 0.00 C ATOM 62 CG GLN A 67 13.115 5.564 -1.504 1.00 0.00 C ATOM 63 CD GLN A 67 14.092 6.516 -2.201 1.00 0.00 C ATOM 64 OE1 GLN A 67 13.707 7.273 -3.072 1.00 0.00 O ATOM 65 NE2 GLN A 67 15.348 6.510 -1.850 1.00 0.00 N ATOM 0 H GLN A 67 11.394 2.772 -3.763 1.00 0.00 H new ATOM 0 HA GLN A 67 12.063 3.137 -0.997 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.317 4.029 -3.013 1.00 0.00 H new ATOM 0 HB3 GLN A 67 11.998 5.145 -3.307 1.00 0.00 H new ATOM 0 HG2 GLN A 67 12.319 6.133 -1.023 1.00 0.00 H new ATOM 0 HG3 GLN A 67 13.630 5.010 -0.719 1.00 0.00 H new ATOM 0 HE21 GLN A 67 15.670 5.875 -1.120 1.00 0.00 H new ATOM 0 HE22 GLN A 67 16.008 7.140 -2.306 1.00 0.00 H new ATOM 74 N VAL A 68 9.434 4.762 -2.132 1.00 0.00 N ATOM 75 CA VAL A 68 8.235 5.537 -1.690 1.00 0.00 C ATOM 76 C VAL A 68 7.418 4.712 -0.687 1.00 0.00 C ATOM 77 O VAL A 68 6.984 5.204 0.337 1.00 0.00 O ATOM 78 CB VAL A 68 7.363 5.847 -2.914 1.00 0.00 C ATOM 79 CG1 VAL A 68 6.024 6.441 -2.464 1.00 0.00 C ATOM 80 CG2 VAL A 68 8.084 6.847 -3.820 1.00 0.00 C ATOM 0 H VAL A 68 9.454 4.530 -3.125 1.00 0.00 H new ATOM 0 HA VAL A 68 8.558 6.463 -1.214 1.00 0.00 H new ATOM 0 HB VAL A 68 7.181 4.923 -3.463 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.410 6.659 -3.338 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.505 5.726 -1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.203 7.361 -1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.462 7.065 -4.688 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.272 7.768 -3.268 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.032 6.421 -4.150 1.00 0.00 H new ATOM 90 N ALA A 69 7.196 3.462 -0.985 1.00 0.00 N ATOM 91 CA ALA A 69 6.397 2.601 -0.065 1.00 0.00 C ATOM 92 C ALA A 69 7.125 2.438 1.273 1.00 0.00 C ATOM 93 O ALA A 69 6.551 2.598 2.333 1.00 0.00 O ATOM 94 CB ALA A 69 6.217 1.222 -0.707 1.00 0.00 C ATOM 0 H ALA A 69 7.534 2.997 -1.828 1.00 0.00 H new ATOM 0 HA ALA A 69 5.428 3.067 0.111 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.634 0.585 -0.042 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.695 1.329 -1.658 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.194 0.770 -0.878 1.00 0.00 H new ATOM 100 N ASP A 70 8.384 2.105 1.225 1.00 0.00 N ATOM 101 CA ASP A 70 9.161 1.904 2.486 1.00 0.00 C ATOM 102 C ASP A 70 9.315 3.248 3.215 1.00 0.00 C ATOM 103 O ASP A 70 9.254 3.317 4.428 1.00 0.00 O ATOM 104 CB ASP A 70 10.551 1.346 2.133 1.00 0.00 C ATOM 105 CG ASP A 70 10.495 -0.181 1.984 1.00 0.00 C ATOM 106 OD1 ASP A 70 9.446 -0.751 2.238 1.00 0.00 O ATOM 107 OD2 ASP A 70 11.503 -0.754 1.605 1.00 0.00 O ATOM 0 H ASP A 70 8.913 1.962 0.365 1.00 0.00 H new ATOM 0 HA ASP A 70 8.636 1.203 3.135 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.905 1.795 1.205 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.266 1.616 2.910 1.00 0.00 H new ATOM 112 N ASP A 71 9.523 4.310 2.488 1.00 0.00 N ATOM 113 CA ASP A 71 9.689 5.642 3.145 1.00 0.00 C ATOM 114 C ASP A 71 8.395 6.026 3.865 1.00 0.00 C ATOM 115 O ASP A 71 8.408 6.533 4.970 1.00 0.00 O ATOM 116 CB ASP A 71 10.010 6.697 2.081 1.00 0.00 C ATOM 117 CG ASP A 71 10.174 8.067 2.745 1.00 0.00 C ATOM 118 OD1 ASP A 71 9.910 8.165 3.931 1.00 0.00 O ATOM 119 OD2 ASP A 71 10.563 8.995 2.054 1.00 0.00 O ATOM 0 H ASP A 71 9.586 4.316 1.470 1.00 0.00 H new ATOM 0 HA ASP A 71 10.503 5.589 3.868 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.924 6.427 1.552 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.212 6.735 1.340 1.00 0.00 H new ATOM 124 N TRP A 72 7.275 5.792 3.241 1.00 0.00 N ATOM 125 CA TRP A 72 5.969 6.146 3.875 1.00 0.00 C ATOM 126 C TRP A 72 5.788 5.332 5.162 1.00 0.00 C ATOM 127 O TRP A 72 5.269 5.820 6.148 1.00 0.00 O ATOM 128 CB TRP A 72 4.830 5.844 2.893 1.00 0.00 C ATOM 129 CG TRP A 72 3.534 6.367 3.434 1.00 0.00 C ATOM 130 CD1 TRP A 72 3.027 7.596 3.177 1.00 0.00 C ATOM 131 CD2 TRP A 72 2.570 5.704 4.306 1.00 0.00 C ATOM 132 NE1 TRP A 72 1.817 7.728 3.833 1.00 0.00 N ATOM 133 CE2 TRP A 72 1.493 6.592 4.544 1.00 0.00 C ATOM 134 CE3 TRP A 72 2.527 4.434 4.910 1.00 0.00 C ATOM 135 CZ2 TRP A 72 0.411 6.232 5.349 1.00 0.00 C ATOM 136 CZ3 TRP A 72 1.440 4.069 5.722 1.00 0.00 C ATOM 137 CH2 TRP A 72 0.385 4.966 5.942 1.00 0.00 C ATOM 0 H TRP A 72 7.205 5.369 2.315 1.00 0.00 H new ATOM 0 HA TRP A 72 5.954 7.207 4.123 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.041 6.302 1.927 1.00 0.00 H new ATOM 0 HB3 TRP A 72 4.757 4.769 2.727 1.00 0.00 H new ATOM 0 HD1 TRP A 72 3.492 8.351 2.560 1.00 0.00 H new ATOM 0 HE1 TRP A 72 1.235 8.565 3.795 1.00 0.00 H new ATOM 0 HE3 TRP A 72 3.335 3.735 4.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.400 6.926 5.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.417 3.091 6.180 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -0.447 4.679 6.569 1.00 0.00 H new ATOM 148 N LEU A 73 6.202 4.092 5.163 1.00 0.00 N ATOM 149 CA LEU A 73 6.042 3.254 6.391 1.00 0.00 C ATOM 150 C LEU A 73 6.840 3.875 7.541 1.00 0.00 C ATOM 151 O LEU A 73 6.383 3.949 8.667 1.00 0.00 O ATOM 152 CB LEU A 73 6.581 1.839 6.122 1.00 0.00 C ATOM 153 CG LEU A 73 6.418 0.964 7.380 1.00 0.00 C ATOM 154 CD1 LEU A 73 4.931 0.855 7.752 1.00 0.00 C ATOM 155 CD2 LEU A 73 6.988 -0.435 7.112 1.00 0.00 C ATOM 0 H LEU A 73 6.642 3.624 4.371 1.00 0.00 H new ATOM 0 HA LEU A 73 4.986 3.204 6.656 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.046 1.390 5.285 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.632 1.889 5.838 1.00 0.00 H new ATOM 0 HG LEU A 73 6.960 1.422 8.207 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.823 0.235 8.642 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.532 1.850 7.952 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.382 0.403 6.926 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.872 -1.052 8.003 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.452 -0.893 6.281 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.046 -0.355 6.862 1.00 0.00 H new ATOM 167 N LYS A 74 8.035 4.306 7.265 1.00 0.00 N ATOM 168 CA LYS A 74 8.882 4.909 8.332 1.00 0.00 C ATOM 169 C LYS A 74 8.216 6.177 8.866 1.00 0.00 C ATOM 170 O LYS A 74 8.145 6.408 10.058 1.00 0.00 O ATOM 171 CB LYS A 74 10.250 5.261 7.739 1.00 0.00 C ATOM 172 CG LYS A 74 11.158 5.896 8.803 1.00 0.00 C ATOM 173 CD LYS A 74 11.413 4.892 9.933 1.00 0.00 C ATOM 174 CE LYS A 74 12.646 5.308 10.725 1.00 0.00 C ATOM 175 NZ LYS A 74 12.884 4.317 11.811 1.00 0.00 N ATOM 0 H LYS A 74 8.466 4.267 6.341 1.00 0.00 H new ATOM 0 HA LYS A 74 9.003 4.199 9.150 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.721 4.362 7.342 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.123 5.950 6.904 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.103 6.200 8.353 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.691 6.796 9.202 1.00 0.00 H new ATOM 0 HD2 LYS A 74 10.546 4.844 10.592 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.555 3.894 9.519 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.514 5.362 10.068 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.504 6.303 11.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.725 4.595 12.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.057 4.287 12.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.036 3.376 11.395 1.00 0.00 H new ATOM 189 N GLN A 75 7.736 7.004 7.983 1.00 0.00 N ATOM 190 CA GLN A 75 7.075 8.267 8.414 1.00 0.00 C ATOM 191 C GLN A 75 5.755 7.932 9.114 1.00 0.00 C ATOM 192 O GLN A 75 5.365 8.566 10.078 1.00 0.00 O ATOM 193 CB GLN A 75 6.801 9.136 7.182 1.00 0.00 C ATOM 194 CG GLN A 75 8.125 9.523 6.511 1.00 0.00 C ATOM 195 CD GLN A 75 8.954 10.394 7.459 1.00 0.00 C ATOM 196 OE1 GLN A 75 8.479 11.395 7.956 1.00 0.00 O ATOM 197 NE2 GLN A 75 10.185 10.052 7.729 1.00 0.00 N ATOM 0 H GLN A 75 7.773 6.859 6.974 1.00 0.00 H new ATOM 0 HA GLN A 75 7.722 8.809 9.104 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.171 8.594 6.477 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.255 10.033 7.473 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.684 8.626 6.245 1.00 0.00 H new ATOM 0 HG3 GLN A 75 7.929 10.063 5.585 1.00 0.00 H new ATOM 0 HE21 GLN A 75 10.584 9.211 7.312 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.748 10.626 8.357 1.00 0.00 H new ATOM 206 N TYR A 76 5.067 6.929 8.640 1.00 0.00 N ATOM 207 CA TYR A 76 3.774 6.539 9.277 1.00 0.00 C ATOM 208 C TYR A 76 4.043 6.139 10.732 1.00 0.00 C ATOM 209 O TYR A 76 3.203 6.286 11.599 1.00 0.00 O ATOM 210 CB TYR A 76 3.170 5.352 8.519 1.00 0.00 C ATOM 211 CG TYR A 76 1.800 5.035 9.072 1.00 0.00 C ATOM 212 CD1 TYR A 76 0.705 5.833 8.720 1.00 0.00 C ATOM 213 CD2 TYR A 76 1.620 3.941 9.931 1.00 0.00 C ATOM 214 CE1 TYR A 76 -0.568 5.543 9.228 1.00 0.00 C ATOM 215 CE2 TYR A 76 0.347 3.651 10.438 1.00 0.00 C ATOM 216 CZ TYR A 76 -0.746 4.451 10.086 1.00 0.00 C ATOM 217 OH TYR A 76 -2.001 4.165 10.586 1.00 0.00 O ATOM 0 H TYR A 76 5.344 6.362 7.839 1.00 0.00 H new ATOM 0 HA TYR A 76 3.075 7.375 9.247 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.098 5.586 7.457 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.820 4.482 8.611 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.842 6.674 8.056 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.463 3.322 10.201 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.411 6.161 8.958 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.209 2.810 11.101 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.951 3.375 11.164 1.00 0.00 H new ATOM 227 N ALA A 77 5.221 5.640 10.999 1.00 0.00 N ATOM 228 CA ALA A 77 5.577 5.230 12.392 1.00 0.00 C ATOM 229 C ALA A 77 5.777 6.480 13.266 1.00 0.00 C ATOM 230 O ALA A 77 6.456 6.447 14.275 1.00 0.00 O ATOM 231 CB ALA A 77 6.869 4.409 12.355 1.00 0.00 C ATOM 0 H ALA A 77 5.958 5.497 10.308 1.00 0.00 H new ATOM 0 HA ALA A 77 4.773 4.628 12.816 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.136 4.106 13.367 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.719 3.523 11.738 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.672 5.013 11.933 1.00 0.00 H new ATOM 237 N ASN A 78 5.186 7.583 12.879 1.00 0.00 N ATOM 238 CA ASN A 78 5.326 8.845 13.673 1.00 0.00 C ATOM 239 C ASN A 78 4.689 8.668 15.058 1.00 0.00 C ATOM 240 O ASN A 78 5.222 9.101 16.062 1.00 0.00 O ATOM 241 CB ASN A 78 4.606 9.980 12.927 1.00 0.00 C ATOM 242 CG ASN A 78 5.498 10.533 11.813 1.00 0.00 C ATOM 243 OD1 ASN A 78 5.024 10.842 10.737 1.00 0.00 O ATOM 244 ND2 ASN A 78 6.776 10.685 12.031 1.00 0.00 N ATOM 0 H ASN A 78 4.609 7.665 12.042 1.00 0.00 H new ATOM 0 HA ASN A 78 6.383 9.083 13.795 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.671 9.611 12.504 1.00 0.00 H new ATOM 0 HB3 ASN A 78 4.348 10.777 13.625 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.377 11.063 11.299 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.174 10.426 12.934 1.00 0.00 H new ATOM 251 N ASP A 79 3.548 8.043 15.117 1.00 0.00 N ATOM 252 CA ASP A 79 2.869 7.843 16.431 1.00 0.00 C ATOM 253 C ASP A 79 1.751 6.813 16.263 1.00 0.00 C ATOM 254 O ASP A 79 0.576 7.127 16.330 1.00 0.00 O ATOM 255 CB ASP A 79 2.294 9.176 16.921 1.00 0.00 C ATOM 256 CG ASP A 79 1.685 8.987 18.313 1.00 0.00 C ATOM 257 OD1 ASP A 79 1.905 7.938 18.895 1.00 0.00 O ATOM 258 OD2 ASP A 79 1.015 9.896 18.774 1.00 0.00 O ATOM 0 H ASP A 79 3.053 7.660 14.311 1.00 0.00 H new ATOM 0 HA ASP A 79 3.585 7.480 17.168 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.078 9.932 16.955 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.535 9.535 16.226 1.00 0.00 H new ATOM 263 N VAL A 80 2.121 5.579 16.036 1.00 0.00 N ATOM 264 CA VAL A 80 1.111 4.490 15.852 1.00 0.00 C ATOM 265 C VAL A 80 1.552 3.243 16.620 1.00 0.00 C ATOM 266 O VAL A 80 2.684 3.127 17.051 1.00 0.00 O ATOM 267 CB VAL A 80 0.959 4.163 14.360 1.00 0.00 C ATOM 268 CG1 VAL A 80 0.066 5.215 13.702 1.00 0.00 C ATOM 269 CG2 VAL A 80 2.333 4.177 13.691 1.00 0.00 C ATOM 0 H VAL A 80 3.092 5.274 15.969 1.00 0.00 H new ATOM 0 HA VAL A 80 0.148 4.825 16.238 1.00 0.00 H new ATOM 0 HB VAL A 80 0.510 3.176 14.247 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.045 4.987 12.642 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.914 5.210 14.179 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.519 6.200 13.816 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.224 3.945 12.632 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.782 5.164 13.802 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.975 3.432 14.162 1.00 0.00 H new ATOM 279 N LYS A 81 0.651 2.319 16.797 1.00 0.00 N ATOM 280 CA LYS A 81 0.975 1.071 17.547 1.00 0.00 C ATOM 281 C LYS A 81 2.065 0.272 16.825 1.00 0.00 C ATOM 282 O LYS A 81 2.122 0.216 15.611 1.00 0.00 O ATOM 283 CB LYS A 81 -0.291 0.218 17.668 1.00 0.00 C ATOM 284 CG LYS A 81 -1.306 0.934 18.565 1.00 0.00 C ATOM 285 CD LYS A 81 -2.583 0.095 18.663 1.00 0.00 C ATOM 286 CE LYS A 81 -3.620 0.830 19.516 1.00 0.00 C ATOM 287 NZ LYS A 81 -3.076 1.034 20.889 1.00 0.00 N ATOM 0 H LYS A 81 -0.307 2.374 16.451 1.00 0.00 H new ATOM 0 HA LYS A 81 1.343 1.339 18.537 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -0.721 0.044 16.681 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -0.046 -0.758 18.086 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.884 1.090 19.558 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -1.536 1.919 18.158 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -2.984 -0.092 17.667 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -2.358 -0.876 19.104 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -3.865 1.791 19.063 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.544 0.254 19.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.856 1.245 21.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.587 0.171 21.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.405 1.828 20.882 1.00 0.00 H new ATOM 301 N VAL A 82 2.931 -0.346 17.585 1.00 0.00 N ATOM 302 CA VAL A 82 4.034 -1.153 16.984 1.00 0.00 C ATOM 303 C VAL A 82 3.447 -2.331 16.206 1.00 0.00 C ATOM 304 O VAL A 82 3.897 -2.668 15.128 1.00 0.00 O ATOM 305 CB VAL A 82 4.938 -1.688 18.103 1.00 0.00 C ATOM 306 CG1 VAL A 82 5.396 -0.533 18.994 1.00 0.00 C ATOM 307 CG2 VAL A 82 4.169 -2.711 18.952 1.00 0.00 C ATOM 0 H VAL A 82 2.921 -0.326 18.605 1.00 0.00 H new ATOM 0 HA VAL A 82 4.614 -0.525 16.308 1.00 0.00 H new ATOM 0 HB VAL A 82 5.807 -2.170 17.656 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.037 -0.917 19.787 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.951 0.190 18.396 1.00 0.00 H new ATOM 0 HG13 VAL A 82 4.526 -0.047 19.435 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.817 -3.087 19.744 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.295 -2.233 19.394 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.849 -3.540 18.321 1.00 0.00 H new ATOM 317 N SER A 83 2.444 -2.962 16.750 1.00 0.00 N ATOM 318 CA SER A 83 1.819 -4.124 16.051 1.00 0.00 C ATOM 319 C SER A 83 1.269 -3.664 14.700 1.00 0.00 C ATOM 320 O SER A 83 1.363 -4.358 13.706 1.00 0.00 O ATOM 321 CB SER A 83 0.677 -4.669 16.912 1.00 0.00 C ATOM 322 OG SER A 83 -0.280 -3.638 17.137 1.00 0.00 O ATOM 0 H SER A 83 2.028 -2.724 17.650 1.00 0.00 H new ATOM 0 HA SER A 83 2.562 -4.906 15.892 1.00 0.00 H new ATOM 0 HB2 SER A 83 0.205 -5.516 16.415 1.00 0.00 H new ATOM 0 HB3 SER A 83 1.066 -5.033 17.863 1.00 0.00 H new ATOM 0 HG SER A 83 -1.013 -3.986 17.687 1.00 0.00 H new ATOM 328 N SER A 84 0.701 -2.494 14.662 1.00 0.00 N ATOM 329 CA SER A 84 0.146 -1.964 13.385 1.00 0.00 C ATOM 330 C SER A 84 1.274 -1.783 12.366 1.00 0.00 C ATOM 331 O SER A 84 1.124 -2.070 11.195 1.00 0.00 O ATOM 332 CB SER A 84 -0.519 -0.613 13.648 1.00 0.00 C ATOM 333 OG SER A 84 -1.080 -0.121 12.437 1.00 0.00 O ATOM 0 H SER A 84 0.596 -1.876 15.466 1.00 0.00 H new ATOM 0 HA SER A 84 -0.587 -2.667 12.990 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.296 -0.718 14.405 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.212 0.095 14.038 1.00 0.00 H new ATOM 0 HG SER A 84 -1.509 0.745 12.603 1.00 0.00 H new ATOM 339 N VAL A 85 2.401 -1.292 12.804 1.00 0.00 N ATOM 340 CA VAL A 85 3.538 -1.078 11.862 1.00 0.00 C ATOM 341 C VAL A 85 3.980 -2.420 11.265 1.00 0.00 C ATOM 342 O VAL A 85 4.188 -2.541 10.073 1.00 0.00 O ATOM 343 CB VAL A 85 4.712 -0.443 12.620 1.00 0.00 C ATOM 344 CG1 VAL A 85 5.946 -0.389 11.713 1.00 0.00 C ATOM 345 CG2 VAL A 85 4.335 0.977 13.050 1.00 0.00 C ATOM 0 H VAL A 85 2.584 -1.030 13.773 1.00 0.00 H new ATOM 0 HA VAL A 85 3.220 -0.416 11.057 1.00 0.00 H new ATOM 0 HB VAL A 85 4.937 -1.044 13.501 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.777 0.063 12.255 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.218 -1.400 11.408 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.722 0.209 10.829 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.169 1.428 13.588 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.106 1.576 12.168 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.461 0.940 13.700 1.00 0.00 H new ATOM 355 N ARG A 86 4.135 -3.424 12.084 1.00 0.00 N ATOM 356 CA ARG A 86 4.577 -4.756 11.565 1.00 0.00 C ATOM 357 C ARG A 86 3.523 -5.318 10.603 1.00 0.00 C ATOM 358 O ARG A 86 3.832 -5.786 9.522 1.00 0.00 O ATOM 359 CB ARG A 86 4.744 -5.721 12.758 1.00 0.00 C ATOM 360 CG ARG A 86 6.176 -5.659 13.294 1.00 0.00 C ATOM 361 CD ARG A 86 6.454 -4.255 13.836 1.00 0.00 C ATOM 362 NE ARG A 86 7.844 -4.193 14.365 1.00 0.00 N ATOM 363 CZ ARG A 86 8.452 -3.043 14.503 1.00 0.00 C ATOM 364 NH1 ARG A 86 7.856 -1.929 14.161 1.00 0.00 N ATOM 365 NH2 ARG A 86 9.664 -3.006 14.979 1.00 0.00 N ATOM 0 H ARG A 86 3.975 -3.383 13.091 1.00 0.00 H new ATOM 0 HA ARG A 86 5.522 -4.646 11.033 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.041 -5.458 13.548 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.508 -6.739 12.447 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.314 -6.399 14.082 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.884 -5.902 12.501 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.321 -3.516 13.046 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.742 -4.011 14.625 1.00 0.00 H new ATOM 0 HE ARG A 86 8.326 -5.054 14.622 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.909 -1.953 13.783 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.339 -1.037 14.273 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.135 -3.871 15.242 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.142 -2.112 15.088 1.00 0.00 H new ATOM 379 N ALA A 87 2.282 -5.283 10.996 1.00 0.00 N ATOM 380 CA ALA A 87 1.202 -5.824 10.121 1.00 0.00 C ATOM 381 C ALA A 87 1.061 -4.953 8.876 1.00 0.00 C ATOM 382 O ALA A 87 0.830 -5.436 7.785 1.00 0.00 O ATOM 383 CB ALA A 87 -0.117 -5.834 10.895 1.00 0.00 C ATOM 0 H ALA A 87 1.966 -4.902 11.888 1.00 0.00 H new ATOM 0 HA ALA A 87 1.455 -6.840 9.818 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.909 -6.229 10.259 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.015 -6.462 11.780 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.368 -4.818 11.199 1.00 0.00 H new ATOM 389 N ARG A 88 1.200 -3.668 9.032 1.00 0.00 N ATOM 390 CA ARG A 88 1.078 -2.760 7.858 1.00 0.00 C ATOM 391 C ARG A 88 2.183 -3.085 6.860 1.00 0.00 C ATOM 392 O ARG A 88 1.966 -3.134 5.666 1.00 0.00 O ATOM 393 CB ARG A 88 1.233 -1.306 8.317 1.00 0.00 C ATOM 394 CG ARG A 88 1.004 -0.339 7.121 1.00 0.00 C ATOM 395 CD ARG A 88 -0.211 0.554 7.393 1.00 0.00 C ATOM 396 NE ARG A 88 -1.431 -0.300 7.455 1.00 0.00 N ATOM 397 CZ ARG A 88 -2.541 0.162 7.962 1.00 0.00 C ATOM 398 NH1 ARG A 88 -2.603 1.389 8.406 1.00 0.00 N ATOM 399 NH2 ARG A 88 -3.592 -0.606 8.027 1.00 0.00 N ATOM 0 H ARG A 88 1.393 -3.206 9.921 1.00 0.00 H new ATOM 0 HA ARG A 88 0.102 -2.895 7.392 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.519 -1.089 9.111 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.229 -1.152 8.733 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.890 0.276 6.966 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.848 -0.910 6.206 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.080 1.094 8.331 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.313 1.302 6.607 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.398 -1.255 7.098 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.781 1.991 8.357 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.473 1.745 8.801 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.545 -1.565 7.682 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.461 -0.248 8.423 1.00 0.00 H new ATOM 413 N GLU A 89 3.370 -3.308 7.355 1.00 0.00 N ATOM 414 CA GLU A 89 4.525 -3.632 6.468 1.00 0.00 C ATOM 415 C GLU A 89 4.192 -4.867 5.627 1.00 0.00 C ATOM 416 O GLU A 89 4.429 -4.911 4.435 1.00 0.00 O ATOM 417 CB GLU A 89 5.744 -3.938 7.347 1.00 0.00 C ATOM 418 CG GLU A 89 6.967 -4.206 6.468 1.00 0.00 C ATOM 419 CD GLU A 89 8.186 -4.480 7.352 1.00 0.00 C ATOM 420 OE1 GLU A 89 7.998 -4.696 8.538 1.00 0.00 O ATOM 421 OE2 GLU A 89 9.287 -4.467 6.828 1.00 0.00 O ATOM 0 H GLU A 89 3.592 -3.279 8.350 1.00 0.00 H new ATOM 0 HA GLU A 89 4.735 -2.790 5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.942 -3.099 8.014 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.541 -4.805 7.976 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.779 -5.059 5.816 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.159 -3.348 5.823 1.00 0.00 H new ATOM 428 N LYS A 90 3.643 -5.870 6.248 1.00 0.00 N ATOM 429 CA LYS A 90 3.281 -7.115 5.509 1.00 0.00 C ATOM 430 C LYS A 90 2.176 -6.804 4.498 1.00 0.00 C ATOM 431 O LYS A 90 2.138 -7.347 3.410 1.00 0.00 O ATOM 432 CB LYS A 90 2.783 -8.159 6.510 1.00 0.00 C ATOM 433 CG LYS A 90 3.881 -8.478 7.534 1.00 0.00 C ATOM 434 CD LYS A 90 5.057 -9.190 6.852 1.00 0.00 C ATOM 435 CE LYS A 90 5.921 -9.883 7.905 1.00 0.00 C ATOM 436 NZ LYS A 90 7.060 -10.567 7.231 1.00 0.00 N ATOM 0 H LYS A 90 3.426 -5.884 7.245 1.00 0.00 H new ATOM 0 HA LYS A 90 4.153 -7.499 4.980 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.895 -7.788 7.022 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.491 -9.068 5.984 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.228 -7.558 8.004 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.476 -9.108 8.327 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.685 -9.921 6.134 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.655 -8.471 6.293 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.293 -9.154 8.624 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.326 -10.606 8.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.651 -11.040 7.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.694 -11.273 6.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.631 -9.866 6.717 1.00 0.00 H new ATOM 450 N ALA A 91 1.267 -5.943 4.860 1.00 0.00 N ATOM 451 CA ALA A 91 0.144 -5.593 3.937 1.00 0.00 C ATOM 452 C ALA A 91 0.687 -4.948 2.656 1.00 0.00 C ATOM 453 O ALA A 91 0.265 -5.266 1.560 1.00 0.00 O ATOM 454 CB ALA A 91 -0.782 -4.600 4.639 1.00 0.00 C ATOM 0 H ALA A 91 1.251 -5.462 5.760 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.398 -6.501 3.675 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.605 -4.338 3.974 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.179 -5.053 5.547 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.223 -3.700 4.896 1.00 0.00 H new ATOM 460 N ILE A 92 1.618 -4.041 2.784 1.00 0.00 N ATOM 461 CA ILE A 92 2.191 -3.370 1.576 1.00 0.00 C ATOM 462 C ILE A 92 3.286 -4.252 0.971 1.00 0.00 C ATOM 463 O ILE A 92 3.709 -4.060 -0.154 1.00 0.00 O ATOM 464 CB ILE A 92 2.788 -2.013 1.978 1.00 0.00 C ATOM 465 CG1 ILE A 92 3.855 -2.218 3.063 1.00 0.00 C ATOM 466 CG2 ILE A 92 1.683 -1.102 2.516 1.00 0.00 C ATOM 467 CD1 ILE A 92 4.497 -0.872 3.415 1.00 0.00 C ATOM 0 H ILE A 92 2.009 -3.734 3.675 1.00 0.00 H new ATOM 0 HA ILE A 92 1.403 -3.215 0.839 1.00 0.00 H new ATOM 0 HB ILE A 92 3.245 -1.550 1.103 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.404 -2.660 3.951 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.616 -2.914 2.711 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.110 -0.140 2.800 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.929 -0.950 1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.221 -1.566 3.388 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.254 -1.020 4.185 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.963 -0.447 2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.732 -0.190 3.785 1.00 0.00 H new ATOM 479 N GLN A 93 3.756 -5.208 1.720 1.00 0.00 N ATOM 480 CA GLN A 93 4.837 -6.107 1.217 1.00 0.00 C ATOM 481 C GLN A 93 4.386 -6.805 -0.070 1.00 0.00 C ATOM 482 O GLN A 93 5.152 -6.973 -1.000 1.00 0.00 O ATOM 483 CB GLN A 93 5.144 -7.162 2.282 1.00 0.00 C ATOM 484 CG GLN A 93 6.294 -8.049 1.801 1.00 0.00 C ATOM 485 CD GLN A 93 6.719 -8.999 2.924 1.00 0.00 C ATOM 486 OE1 GLN A 93 6.436 -8.760 4.082 1.00 0.00 O ATOM 487 NE2 GLN A 93 7.392 -10.077 2.626 1.00 0.00 N ATOM 0 H GLN A 93 3.437 -5.409 2.668 1.00 0.00 H new ATOM 0 HA GLN A 93 5.728 -5.515 1.007 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.411 -6.679 3.222 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.259 -7.768 2.475 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.984 -8.621 0.926 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.139 -7.432 1.495 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.630 -10.278 1.655 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.680 -10.719 3.365 1.00 0.00 H new ATOM 496 N HIS A 94 3.150 -7.217 -0.127 1.00 0.00 N ATOM 497 CA HIS A 94 2.645 -7.912 -1.350 1.00 0.00 C ATOM 498 C HIS A 94 2.658 -6.945 -2.539 1.00 0.00 C ATOM 499 O HIS A 94 3.039 -7.295 -3.640 1.00 0.00 O ATOM 500 CB HIS A 94 1.206 -8.373 -1.103 1.00 0.00 C ATOM 501 CG HIS A 94 1.179 -9.402 -0.007 1.00 0.00 C ATOM 502 ND1 HIS A 94 1.570 -10.713 -0.218 1.00 0.00 N ATOM 503 CD2 HIS A 94 0.810 -9.327 1.314 1.00 0.00 C ATOM 504 CE1 HIS A 94 1.429 -11.371 0.947 1.00 0.00 C ATOM 505 NE2 HIS A 94 0.969 -10.573 1.915 1.00 0.00 N ATOM 0 H HIS A 94 2.465 -7.103 0.620 1.00 0.00 H new ATOM 0 HA HIS A 94 3.284 -8.768 -1.569 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.584 -7.521 -0.829 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.787 -8.792 -2.018 1.00 0.00 H new ATOM 0 HD2 HIS A 94 0.451 -8.438 1.811 1.00 0.00 H new ATOM 0 HE1 HIS A 94 1.660 -12.417 1.083 1.00 0.00 H new ATOM 0 HE2 HIS A 94 0.776 -10.823 2.885 1.00 0.00 H new ATOM 513 N ALA A 95 2.232 -5.730 -2.323 1.00 0.00 N ATOM 514 CA ALA A 95 2.205 -4.727 -3.431 1.00 0.00 C ATOM 515 C ALA A 95 3.633 -4.388 -3.870 1.00 0.00 C ATOM 516 O ALA A 95 3.919 -4.233 -5.041 1.00 0.00 O ATOM 517 CB ALA A 95 1.520 -3.453 -2.932 1.00 0.00 C ATOM 0 H ALA A 95 1.899 -5.385 -1.422 1.00 0.00 H new ATOM 0 HA ALA A 95 1.660 -5.143 -4.278 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.496 -2.715 -3.734 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.501 -3.685 -2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 95 2.074 -3.050 -2.085 1.00 0.00 H new ATOM 523 N ILE A 96 4.532 -4.263 -2.932 1.00 0.00 N ATOM 524 CA ILE A 96 5.945 -3.924 -3.283 1.00 0.00 C ATOM 525 C ILE A 96 6.541 -5.044 -4.137 1.00 0.00 C ATOM 526 O ILE A 96 7.207 -4.805 -5.126 1.00 0.00 O ATOM 527 CB ILE A 96 6.762 -3.776 -1.993 1.00 0.00 C ATOM 528 CG1 ILE A 96 6.291 -2.536 -1.229 1.00 0.00 C ATOM 529 CG2 ILE A 96 8.247 -3.634 -2.334 1.00 0.00 C ATOM 530 CD1 ILE A 96 6.865 -2.556 0.191 1.00 0.00 C ATOM 0 H ILE A 96 4.351 -4.381 -1.935 1.00 0.00 H new ATOM 0 HA ILE A 96 5.970 -2.989 -3.843 1.00 0.00 H new ATOM 0 HB ILE A 96 6.619 -4.661 -1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.612 -1.633 -1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 96 5.202 -2.512 -1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.823 -3.529 -1.415 1.00 0.00 H new ATOM 0 HG22 ILE A 96 8.583 -4.520 -2.874 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.394 -2.752 -2.957 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.528 -1.672 0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.522 -3.451 0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.954 -2.559 0.143 1.00 0.00 H new ATOM 542 N GLU A 97 6.308 -6.265 -3.756 1.00 0.00 N ATOM 543 CA GLU A 97 6.849 -7.413 -4.537 1.00 0.00 C ATOM 544 C GLU A 97 6.088 -7.534 -5.863 1.00 0.00 C ATOM 545 O GLU A 97 6.654 -7.836 -6.897 1.00 0.00 O ATOM 546 CB GLU A 97 6.672 -8.696 -3.719 1.00 0.00 C ATOM 547 CG GLU A 97 7.578 -8.646 -2.485 1.00 0.00 C ATOM 548 CD GLU A 97 7.348 -9.893 -1.625 1.00 0.00 C ATOM 549 OE1 GLU A 97 6.565 -10.735 -2.034 1.00 0.00 O ATOM 550 OE2 GLU A 97 7.963 -9.985 -0.574 1.00 0.00 O ATOM 0 H GLU A 97 5.763 -6.521 -2.933 1.00 0.00 H new ATOM 0 HA GLU A 97 7.907 -7.255 -4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.631 -8.805 -3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.918 -9.565 -4.329 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.623 -8.591 -2.791 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.368 -7.748 -1.904 1.00 0.00 H new ATOM 557 N ARG A 98 4.801 -7.304 -5.833 1.00 0.00 N ATOM 558 CA ARG A 98 3.974 -7.405 -7.078 1.00 0.00 C ATOM 559 C ARG A 98 4.359 -6.295 -8.062 1.00 0.00 C ATOM 560 O ARG A 98 4.467 -6.515 -9.254 1.00 0.00 O ATOM 561 CB ARG A 98 2.489 -7.270 -6.716 1.00 0.00 C ATOM 562 CG ARG A 98 1.633 -7.460 -7.974 1.00 0.00 C ATOM 563 CD ARG A 98 0.143 -7.468 -7.601 1.00 0.00 C ATOM 564 NE ARG A 98 -0.252 -6.132 -7.065 1.00 0.00 N ATOM 565 CZ ARG A 98 -1.450 -5.942 -6.570 1.00 0.00 C ATOM 566 NH1 ARG A 98 -2.315 -6.922 -6.536 1.00 0.00 N ATOM 567 NH2 ARG A 98 -1.784 -4.770 -6.109 1.00 0.00 N ATOM 0 H ARG A 98 4.281 -7.048 -4.994 1.00 0.00 H new ATOM 0 HA ARG A 98 4.155 -8.373 -7.546 1.00 0.00 H new ATOM 0 HB2 ARG A 98 2.219 -8.012 -5.965 1.00 0.00 H new ATOM 0 HB3 ARG A 98 2.299 -6.290 -6.279 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.834 -6.658 -8.685 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.898 -8.396 -8.466 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.459 -7.711 -8.477 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.051 -8.240 -6.857 1.00 0.00 H new ATOM 0 HE ARG A 98 0.416 -5.361 -7.084 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.059 -7.841 -6.896 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -3.246 -6.767 -6.149 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -1.113 -4.002 -6.134 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -2.716 -4.620 -5.723 1.00 0.00 H new ATOM 581 N PHE A 99 4.562 -5.101 -7.572 1.00 0.00 N ATOM 582 CA PHE A 99 4.936 -3.966 -8.470 1.00 0.00 C ATOM 583 C PHE A 99 6.458 -3.857 -8.540 1.00 0.00 C ATOM 584 O PHE A 99 7.008 -2.832 -8.897 1.00 0.00 O ATOM 585 CB PHE A 99 4.342 -2.660 -7.932 1.00 0.00 C ATOM 586 CG PHE A 99 2.832 -2.706 -8.046 1.00 0.00 C ATOM 587 CD1 PHE A 99 2.227 -2.799 -9.307 1.00 0.00 C ATOM 588 CD2 PHE A 99 2.034 -2.661 -6.892 1.00 0.00 C ATOM 589 CE1 PHE A 99 0.834 -2.847 -9.415 1.00 0.00 C ATOM 590 CE2 PHE A 99 0.640 -2.710 -7.003 1.00 0.00 C ATOM 591 CZ PHE A 99 0.040 -2.805 -8.263 1.00 0.00 C ATOM 0 H PHE A 99 4.485 -4.861 -6.584 1.00 0.00 H new ATOM 0 HA PHE A 99 4.541 -4.147 -9.469 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.634 -2.517 -6.892 1.00 0.00 H new ATOM 0 HB3 PHE A 99 4.734 -1.812 -8.493 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.838 -2.834 -10.197 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.496 -2.589 -5.918 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.370 -2.917 -10.388 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.027 -2.674 -6.115 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.036 -2.846 -8.347 1.00 0.00 H new ATOM 601 N ASN A 100 7.143 -4.916 -8.200 1.00 0.00 N ATOM 602 CA ASN A 100 8.629 -4.894 -8.241 1.00 0.00 C ATOM 603 C ASN A 100 9.104 -4.692 -9.680 1.00 0.00 C ATOM 604 O ASN A 100 10.039 -3.957 -9.941 1.00 0.00 O ATOM 605 CB ASN A 100 9.172 -6.222 -7.700 1.00 0.00 C ATOM 606 CG ASN A 100 8.660 -7.391 -8.553 1.00 0.00 C ATOM 607 OD1 ASN A 100 7.750 -7.239 -9.343 1.00 0.00 O ATOM 608 ND2 ASN A 100 9.218 -8.566 -8.421 1.00 0.00 N ATOM 0 H ASN A 100 6.733 -5.798 -7.895 1.00 0.00 H new ATOM 0 HA ASN A 100 8.996 -4.073 -7.626 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.262 -6.207 -7.707 1.00 0.00 H new ATOM 0 HB3 ASN A 100 8.861 -6.355 -6.664 1.00 0.00 H new ATOM 0 HD21 ASN A 100 8.889 -9.353 -8.981 1.00 0.00 H new ATOM 0 HD22 ASN A 100 9.982 -8.696 -7.758 1.00 0.00 H new ATOM 615 N THR A 101 8.464 -5.340 -10.618 1.00 0.00 N ATOM 616 CA THR A 101 8.859 -5.201 -12.056 1.00 0.00 C ATOM 617 C THR A 101 7.796 -4.383 -12.786 1.00 0.00 C ATOM 618 O THR A 101 8.043 -3.815 -13.834 1.00 0.00 O ATOM 619 CB THR A 101 8.957 -6.595 -12.683 1.00 0.00 C ATOM 620 OG1 THR A 101 7.693 -7.243 -12.603 1.00 0.00 O ATOM 621 CG2 THR A 101 9.999 -7.416 -11.926 1.00 0.00 C ATOM 0 H THR A 101 7.677 -5.966 -10.450 1.00 0.00 H new ATOM 0 HA THR A 101 9.823 -4.698 -12.134 1.00 0.00 H new ATOM 0 HB THR A 101 9.251 -6.505 -13.729 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.756 -8.134 -13.006 1.00 0.00 H new ATOM 0 HG21 THR A 101 10.072 -8.409 -12.369 1.00 0.00 H new ATOM 0 HG22 THR A 101 10.968 -6.920 -11.987 1.00 0.00 H new ATOM 0 HG23 THR A 101 9.702 -7.506 -10.881 1.00 0.00 H new ATOM 629 N LYS A 102 6.611 -4.305 -12.233 1.00 0.00 N ATOM 630 CA LYS A 102 5.525 -3.512 -12.886 1.00 0.00 C ATOM 631 C LYS A 102 5.478 -2.109 -12.247 1.00 0.00 C ATOM 632 O LYS A 102 5.209 -1.980 -11.069 1.00 0.00 O ATOM 633 CB LYS A 102 4.178 -4.209 -12.679 1.00 0.00 C ATOM 634 CG LYS A 102 4.083 -5.416 -13.615 1.00 0.00 C ATOM 635 CD LYS A 102 2.960 -6.340 -13.147 1.00 0.00 C ATOM 636 CE LYS A 102 1.653 -5.550 -13.039 1.00 0.00 C ATOM 637 NZ LYS A 102 1.651 -4.762 -11.773 1.00 0.00 N ATOM 0 H LYS A 102 6.349 -4.757 -11.357 1.00 0.00 H new ATOM 0 HA LYS A 102 5.724 -3.429 -13.954 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.077 -4.530 -11.642 1.00 0.00 H new ATOM 0 HB3 LYS A 102 3.362 -3.515 -12.879 1.00 0.00 H new ATOM 0 HG2 LYS A 102 3.893 -5.084 -14.635 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.030 -5.955 -13.627 1.00 0.00 H new ATOM 0 HD2 LYS A 102 2.840 -7.166 -13.848 1.00 0.00 H new ATOM 0 HD3 LYS A 102 3.214 -6.776 -12.181 1.00 0.00 H new ATOM 0 HE2 LYS A 102 1.547 -4.883 -13.895 1.00 0.00 H new ATOM 0 HE3 LYS A 102 0.802 -6.231 -13.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 0.685 -4.722 -11.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 2.279 -5.217 -11.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 1.988 -3.797 -11.964 1.00 0.00 H new ATOM 651 N PRO A 103 5.738 -1.065 -13.002 1.00 0.00 N ATOM 652 CA PRO A 103 5.716 0.332 -12.473 1.00 0.00 C ATOM 653 C PRO A 103 4.454 0.651 -11.663 1.00 0.00 C ATOM 654 O PRO A 103 3.377 0.166 -11.937 1.00 0.00 O ATOM 655 CB PRO A 103 5.772 1.197 -13.744 1.00 0.00 C ATOM 656 CG PRO A 103 6.466 0.348 -14.756 1.00 0.00 C ATOM 657 CD PRO A 103 6.094 -1.095 -14.431 1.00 0.00 C ATOM 0 HA PRO A 103 6.538 0.507 -11.779 1.00 0.00 H new ATOM 0 HB2 PRO A 103 4.772 1.473 -14.079 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.316 2.125 -13.567 1.00 0.00 H new ATOM 0 HG2 PRO A 103 6.153 0.612 -15.766 1.00 0.00 H new ATOM 0 HG3 PRO A 103 7.546 0.491 -14.709 1.00 0.00 H new ATOM 0 HD2 PRO A 103 5.259 -1.438 -15.042 1.00 0.00 H new ATOM 0 HD3 PRO A 103 6.927 -1.773 -14.620 1.00 0.00 H new ATOM 665 N ILE A 104 4.597 1.469 -10.654 1.00 0.00 N ATOM 666 CA ILE A 104 3.430 1.837 -9.803 1.00 0.00 C ATOM 667 C ILE A 104 2.442 2.676 -10.623 1.00 0.00 C ATOM 668 O ILE A 104 1.248 2.661 -10.391 1.00 0.00 O ATOM 669 CB ILE A 104 3.921 2.646 -8.596 1.00 0.00 C ATOM 670 CG1 ILE A 104 2.773 2.803 -7.594 1.00 0.00 C ATOM 671 CG2 ILE A 104 4.401 4.029 -9.050 1.00 0.00 C ATOM 672 CD1 ILE A 104 3.249 3.588 -6.368 1.00 0.00 C ATOM 0 H ILE A 104 5.480 1.901 -10.382 1.00 0.00 H new ATOM 0 HA ILE A 104 2.929 0.934 -9.455 1.00 0.00 H new ATOM 0 HB ILE A 104 4.752 2.121 -8.125 1.00 0.00 H new ATOM 0 HG12 ILE A 104 1.937 3.320 -8.065 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.409 1.822 -7.289 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.748 4.596 -8.186 1.00 0.00 H new ATOM 0 HG22 ILE A 104 5.219 3.915 -9.761 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.578 4.561 -9.527 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.426 3.694 -5.662 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.070 3.054 -5.890 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.590 4.576 -6.678 1.00 0.00 H new ATOM 684 N GLN A 105 2.941 3.415 -11.577 1.00 0.00 N ATOM 685 CA GLN A 105 2.050 4.268 -12.424 1.00 0.00 C ATOM 686 C GLN A 105 1.148 3.382 -13.290 1.00 0.00 C ATOM 687 O GLN A 105 0.054 3.764 -13.660 1.00 0.00 O ATOM 688 CB GLN A 105 2.909 5.157 -13.333 1.00 0.00 C ATOM 689 CG GLN A 105 1.996 6.020 -14.212 1.00 0.00 C ATOM 690 CD GLN A 105 2.833 7.019 -15.020 1.00 0.00 C ATOM 691 OE1 GLN A 105 3.986 7.256 -14.715 1.00 0.00 O ATOM 692 NE2 GLN A 105 2.292 7.623 -16.046 1.00 0.00 N ATOM 0 H GLN A 105 3.933 3.466 -11.809 1.00 0.00 H new ATOM 0 HA GLN A 105 1.431 4.890 -11.778 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.558 5.792 -12.730 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.556 4.540 -13.957 1.00 0.00 H new ATOM 0 HG2 GLN A 105 1.422 5.385 -14.887 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.278 6.555 -13.590 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.325 7.425 -16.303 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.837 8.292 -16.590 1.00 0.00 H new ATOM 701 N THR A 106 1.597 2.204 -13.622 1.00 0.00 N ATOM 702 CA THR A 106 0.768 1.301 -14.473 1.00 0.00 C ATOM 703 C THR A 106 -0.470 0.856 -13.682 1.00 0.00 C ATOM 704 O THR A 106 -1.286 0.087 -14.156 1.00 0.00 O ATOM 705 CB THR A 106 1.617 0.078 -14.884 1.00 0.00 C ATOM 706 OG1 THR A 106 1.207 -0.367 -16.168 1.00 0.00 O ATOM 707 CG2 THR A 106 1.456 -1.072 -13.875 1.00 0.00 C ATOM 0 H THR A 106 2.502 1.826 -13.342 1.00 0.00 H new ATOM 0 HA THR A 106 0.440 1.824 -15.372 1.00 0.00 H new ATOM 0 HB THR A 106 2.665 0.377 -14.903 1.00 0.00 H new ATOM 0 HG1 THR A 106 1.745 -1.142 -16.433 1.00 0.00 H new ATOM 0 HG21 THR A 106 2.065 -1.920 -14.189 1.00 0.00 H new ATOM 0 HG22 THR A 106 1.780 -0.739 -12.889 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.409 -1.373 -13.831 1.00 0.00 H new ATOM 715 N ILE A 107 -0.607 1.332 -12.476 1.00 0.00 N ATOM 716 CA ILE A 107 -1.779 0.938 -11.646 1.00 0.00 C ATOM 717 C ILE A 107 -2.995 1.762 -12.051 1.00 0.00 C ATOM 718 O ILE A 107 -2.953 2.977 -12.106 1.00 0.00 O ATOM 719 CB ILE A 107 -1.465 1.162 -10.168 1.00 0.00 C ATOM 720 CG1 ILE A 107 -0.358 0.196 -9.743 1.00 0.00 C ATOM 721 CG2 ILE A 107 -2.720 0.905 -9.329 1.00 0.00 C ATOM 722 CD1 ILE A 107 0.143 0.567 -8.347 1.00 0.00 C ATOM 0 H ILE A 107 0.043 1.978 -12.029 1.00 0.00 H new ATOM 0 HA ILE A 107 -1.995 -0.118 -11.806 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.138 2.190 -10.014 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.735 -0.827 -9.745 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.465 0.234 -10.457 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.492 1.066 -8.275 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.511 1.589 -9.638 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -3.052 -0.123 -9.476 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.932 -0.124 -8.048 1.00 0.00 H new ATOM 0 HD12 ILE A 107 0.536 1.583 -8.360 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.681 0.506 -7.636 1.00 0.00 H new ATOM 734 N LYS A 108 -4.078 1.096 -12.345 1.00 0.00 N ATOM 735 CA LYS A 108 -5.327 1.798 -12.768 1.00 0.00 C ATOM 736 C LYS A 108 -6.400 1.669 -11.684 1.00 0.00 C ATOM 737 O LYS A 108 -6.196 1.057 -10.651 1.00 0.00 O ATOM 738 CB LYS A 108 -5.833 1.176 -14.078 1.00 0.00 C ATOM 739 CG LYS A 108 -5.631 -0.342 -14.047 1.00 0.00 C ATOM 740 CD LYS A 108 -6.177 -0.955 -15.339 1.00 0.00 C ATOM 741 CE LYS A 108 -5.929 -2.466 -15.337 1.00 0.00 C ATOM 742 NZ LYS A 108 -6.673 -3.094 -14.207 1.00 0.00 N ATOM 0 H LYS A 108 -4.153 0.079 -12.310 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.113 2.856 -12.921 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -6.889 1.408 -14.217 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.298 1.606 -14.925 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.572 -0.577 -13.940 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.142 -0.770 -13.184 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -7.244 -0.752 -15.427 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -5.693 -0.498 -16.203 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -6.252 -2.899 -16.284 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -4.862 -2.669 -15.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -6.049 -3.759 -13.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -6.991 -2.355 -13.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -7.499 -3.606 -14.577 1.00 0.00 H new ATOM 756 N LYS A 109 -7.543 2.253 -11.921 1.00 0.00 N ATOM 757 CA LYS A 109 -8.655 2.195 -10.927 1.00 0.00 C ATOM 758 C LYS A 109 -9.108 0.746 -10.728 1.00 0.00 C ATOM 759 O LYS A 109 -9.378 0.312 -9.626 1.00 0.00 O ATOM 760 CB LYS A 109 -9.841 3.012 -11.452 1.00 0.00 C ATOM 761 CG LYS A 109 -9.478 4.498 -11.488 1.00 0.00 C ATOM 762 CD LYS A 109 -10.671 5.304 -12.014 1.00 0.00 C ATOM 763 CE LYS A 109 -10.311 6.791 -12.044 1.00 0.00 C ATOM 764 NZ LYS A 109 -11.474 7.575 -12.550 1.00 0.00 N ATOM 0 H LYS A 109 -7.757 2.774 -12.771 1.00 0.00 H new ATOM 0 HA LYS A 109 -8.304 2.600 -9.978 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -10.114 2.672 -12.451 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -10.711 2.857 -10.814 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -9.206 4.841 -10.490 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -8.609 4.655 -12.127 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -10.940 4.964 -13.014 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -11.541 5.143 -11.378 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -10.038 7.130 -11.045 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -9.444 6.953 -12.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -11.229 8.586 -12.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -11.715 7.258 -13.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -12.290 7.429 -11.922 1.00 0.00 H new ATOM 778 N HIS A 110 -9.204 -0.001 -11.794 1.00 0.00 N ATOM 779 CA HIS A 110 -9.649 -1.422 -11.676 1.00 0.00 C ATOM 780 C HIS A 110 -8.610 -2.218 -10.885 1.00 0.00 C ATOM 781 O HIS A 110 -8.938 -3.032 -10.043 1.00 0.00 O ATOM 782 CB HIS A 110 -9.793 -2.023 -13.075 1.00 0.00 C ATOM 783 CG HIS A 110 -10.330 -3.424 -12.966 1.00 0.00 C ATOM 784 ND1 HIS A 110 -9.501 -4.525 -12.833 1.00 0.00 N ATOM 785 CD2 HIS A 110 -11.612 -3.917 -12.966 1.00 0.00 C ATOM 786 CE1 HIS A 110 -10.284 -5.616 -12.761 1.00 0.00 C ATOM 787 NE2 HIS A 110 -11.580 -5.302 -12.838 1.00 0.00 N ATOM 0 H HIS A 110 -8.994 0.310 -12.742 1.00 0.00 H new ATOM 0 HA HIS A 110 -10.608 -1.463 -11.159 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -10.464 -1.411 -13.678 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -8.827 -2.031 -13.580 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -12.508 -3.320 -13.052 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -9.910 -6.624 -12.654 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -12.375 -5.940 -12.809 1.00 0.00 H new ATOM 795 N ASP A 111 -7.357 -1.983 -11.152 1.00 0.00 N ATOM 796 CA ASP A 111 -6.278 -2.709 -10.420 1.00 0.00 C ATOM 797 C ASP A 111 -6.320 -2.314 -8.942 1.00 0.00 C ATOM 798 O ASP A 111 -6.075 -3.116 -8.062 1.00 0.00 O ATOM 799 CB ASP A 111 -4.921 -2.327 -11.018 1.00 0.00 C ATOM 800 CG ASP A 111 -3.802 -3.051 -10.266 1.00 0.00 C ATOM 801 OD1 ASP A 111 -4.100 -3.683 -9.265 1.00 0.00 O ATOM 802 OD2 ASP A 111 -2.667 -2.960 -10.703 1.00 0.00 O ATOM 0 H ASP A 111 -7.030 -1.315 -11.850 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.425 -3.785 -10.512 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -4.892 -2.591 -12.075 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -4.776 -1.249 -10.955 1.00 0.00 H new ATOM 807 N TYR A 112 -6.631 -1.077 -8.669 1.00 0.00 N ATOM 808 CA TYR A 112 -6.697 -0.609 -7.252 1.00 0.00 C ATOM 809 C TYR A 112 -7.756 -1.412 -6.494 1.00 0.00 C ATOM 810 O TYR A 112 -7.539 -1.862 -5.385 1.00 0.00 O ATOM 811 CB TYR A 112 -7.077 0.875 -7.224 1.00 0.00 C ATOM 812 CG TYR A 112 -7.236 1.325 -5.791 1.00 0.00 C ATOM 813 CD1 TYR A 112 -6.104 1.618 -5.025 1.00 0.00 C ATOM 814 CD2 TYR A 112 -8.514 1.442 -5.227 1.00 0.00 C ATOM 815 CE1 TYR A 112 -6.246 2.031 -3.696 1.00 0.00 C ATOM 816 CE2 TYR A 112 -8.655 1.853 -3.896 1.00 0.00 C ATOM 817 CZ TYR A 112 -7.521 2.146 -3.131 1.00 0.00 C ATOM 818 OH TYR A 112 -7.658 2.550 -1.817 1.00 0.00 O ATOM 0 H TYR A 112 -6.844 -0.366 -9.368 1.00 0.00 H new ATOM 0 HA TYR A 112 -5.725 -0.751 -6.780 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -6.308 1.468 -7.720 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -8.006 1.034 -7.772 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -5.120 1.526 -5.459 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -9.389 1.215 -5.818 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -5.371 2.261 -3.106 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -9.639 1.944 -3.460 1.00 0.00 H new ATOM 0 HH TYR A 112 -8.521 3.000 -1.701 1.00 0.00 H new ATOM 828 N GLN A 113 -8.905 -1.591 -7.085 1.00 0.00 N ATOM 829 CA GLN A 113 -9.986 -2.363 -6.404 1.00 0.00 C ATOM 830 C GLN A 113 -9.517 -3.804 -6.205 1.00 0.00 C ATOM 831 O GLN A 113 -9.776 -4.423 -5.190 1.00 0.00 O ATOM 832 CB GLN A 113 -11.245 -2.351 -7.281 1.00 0.00 C ATOM 833 CG GLN A 113 -12.398 -3.051 -6.552 1.00 0.00 C ATOM 834 CD GLN A 113 -12.757 -2.265 -5.290 1.00 0.00 C ATOM 835 OE1 GLN A 113 -12.757 -1.051 -5.296 1.00 0.00 O ATOM 836 NE2 GLN A 113 -13.061 -2.911 -4.199 1.00 0.00 N ATOM 0 H GLN A 113 -9.144 -1.236 -8.011 1.00 0.00 H new ATOM 0 HA GLN A 113 -10.213 -1.913 -5.437 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.524 -1.324 -7.518 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -11.044 -2.853 -8.227 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -13.266 -3.123 -7.207 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -12.111 -4.069 -6.290 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -13.061 -3.931 -4.194 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -13.299 -2.396 -3.351 1.00 0.00 H new ATOM 845 N ARG A 114 -8.820 -4.337 -7.168 1.00 0.00 N ATOM 846 CA ARG A 114 -8.312 -5.735 -7.048 1.00 0.00 C ATOM 847 C ARG A 114 -7.368 -5.817 -5.848 1.00 0.00 C ATOM 848 O ARG A 114 -7.387 -6.765 -5.084 1.00 0.00 O ATOM 849 CB ARG A 114 -7.551 -6.111 -8.323 1.00 0.00 C ATOM 850 CG ARG A 114 -7.097 -7.570 -8.236 1.00 0.00 C ATOM 851 CD ARG A 114 -6.384 -7.971 -9.531 1.00 0.00 C ATOM 852 NE ARG A 114 -5.149 -7.148 -9.702 1.00 0.00 N ATOM 853 CZ ARG A 114 -4.019 -7.510 -9.150 1.00 0.00 C ATOM 854 NH1 ARG A 114 -3.946 -8.606 -8.441 1.00 0.00 N ATOM 855 NH2 ARG A 114 -2.957 -6.772 -9.314 1.00 0.00 N ATOM 0 H ARG A 114 -8.578 -3.864 -8.038 1.00 0.00 H new ATOM 0 HA ARG A 114 -9.146 -6.423 -6.910 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -8.189 -5.969 -9.195 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -6.688 -5.458 -8.450 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -6.428 -7.702 -7.386 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -7.957 -8.218 -8.068 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -6.126 -9.030 -9.503 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -7.049 -7.828 -10.383 1.00 0.00 H new ATOM 0 HE ARG A 114 -5.187 -6.293 -10.256 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -4.774 -9.187 -8.314 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -3.061 -8.880 -8.015 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -3.010 -5.918 -9.870 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -2.073 -7.048 -8.887 1.00 0.00 H new ATOM 869 N PHE A 115 -6.542 -4.823 -5.680 1.00 0.00 N ATOM 870 CA PHE A 115 -5.585 -4.816 -4.534 1.00 0.00 C ATOM 871 C PHE A 115 -6.362 -4.856 -3.217 1.00 0.00 C ATOM 872 O PHE A 115 -6.019 -5.583 -2.309 1.00 0.00 O ATOM 873 CB PHE A 115 -4.742 -3.539 -4.589 1.00 0.00 C ATOM 874 CG PHE A 115 -3.832 -3.482 -3.380 1.00 0.00 C ATOM 875 CD1 PHE A 115 -2.843 -4.457 -3.206 1.00 0.00 C ATOM 876 CD2 PHE A 115 -3.978 -2.457 -2.433 1.00 0.00 C ATOM 877 CE1 PHE A 115 -2.001 -4.409 -2.089 1.00 0.00 C ATOM 878 CE2 PHE A 115 -3.135 -2.411 -1.315 1.00 0.00 C ATOM 879 CZ PHE A 115 -2.147 -3.387 -1.143 1.00 0.00 C ATOM 0 H PHE A 115 -6.487 -4.008 -6.291 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.935 -5.689 -4.596 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -4.150 -3.520 -5.504 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -5.390 -2.663 -4.611 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.730 -5.247 -3.934 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -4.740 -1.704 -2.566 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.238 -5.161 -1.957 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.248 -1.622 -0.586 1.00 0.00 H new ATOM 0 HZ PHE A 115 -1.497 -3.352 -0.281 1.00 0.00 H new ATOM 889 N VAL A 116 -7.404 -4.075 -3.110 1.00 0.00 N ATOM 890 CA VAL A 116 -8.210 -4.059 -1.852 1.00 0.00 C ATOM 891 C VAL A 116 -8.804 -5.452 -1.613 1.00 0.00 C ATOM 892 O VAL A 116 -8.777 -5.978 -0.516 1.00 0.00 O ATOM 893 CB VAL A 116 -9.345 -3.040 -1.989 1.00 0.00 C ATOM 894 CG1 VAL A 116 -10.268 -3.132 -0.772 1.00 0.00 C ATOM 895 CG2 VAL A 116 -8.756 -1.630 -2.075 1.00 0.00 C ATOM 0 H VAL A 116 -7.733 -3.445 -3.841 1.00 0.00 H new ATOM 0 HA VAL A 116 -7.572 -3.784 -1.012 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.915 -3.254 -2.893 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -11.075 -2.406 -0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -10.689 -4.136 -0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -9.699 -2.920 0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -9.563 -0.904 -2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -8.185 -1.418 -1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -8.100 -1.562 -2.943 1.00 0.00 H new ATOM 905 N ASP A 117 -9.337 -6.050 -2.641 1.00 0.00 N ATOM 906 CA ASP A 117 -9.933 -7.414 -2.506 1.00 0.00 C ATOM 907 C ASP A 117 -8.821 -8.427 -2.210 1.00 0.00 C ATOM 908 O ASP A 117 -9.011 -9.389 -1.489 1.00 0.00 O ATOM 909 CB ASP A 117 -10.632 -7.782 -3.819 1.00 0.00 C ATOM 910 CG ASP A 117 -11.274 -9.166 -3.698 1.00 0.00 C ATOM 911 OD1 ASP A 117 -11.084 -9.802 -2.676 1.00 0.00 O ATOM 912 OD2 ASP A 117 -11.941 -9.567 -4.637 1.00 0.00 O ATOM 0 H ASP A 117 -9.387 -5.651 -3.578 1.00 0.00 H new ATOM 0 HA ASP A 117 -10.656 -7.427 -1.690 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -11.393 -7.038 -4.057 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -9.913 -7.776 -4.638 1.00 0.00 H new ATOM 917 N ASP A 118 -7.660 -8.217 -2.773 1.00 0.00 N ATOM 918 CA ASP A 118 -6.521 -9.160 -2.544 1.00 0.00 C ATOM 919 C ASP A 118 -6.180 -9.211 -1.052 1.00 0.00 C ATOM 920 O ASP A 118 -6.037 -10.269 -0.469 1.00 0.00 O ATOM 921 CB ASP A 118 -5.296 -8.662 -3.319 1.00 0.00 C ATOM 922 CG ASP A 118 -4.122 -9.622 -3.104 1.00 0.00 C ATOM 923 OD1 ASP A 118 -4.269 -10.545 -2.321 1.00 0.00 O ATOM 924 OD2 ASP A 118 -3.096 -9.417 -3.732 1.00 0.00 O ATOM 0 H ASP A 118 -7.449 -7.429 -3.385 1.00 0.00 H new ATOM 0 HA ASP A 118 -6.803 -10.156 -2.885 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -5.530 -8.591 -4.381 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -5.025 -7.661 -2.985 1.00 0.00 H new ATOM 929 N ILE A 119 -6.043 -8.070 -0.433 1.00 0.00 N ATOM 930 CA ILE A 119 -5.706 -8.035 1.022 1.00 0.00 C ATOM 931 C ILE A 119 -6.922 -8.469 1.849 1.00 0.00 C ATOM 932 O ILE A 119 -6.793 -8.975 2.948 1.00 0.00 O ATOM 933 CB ILE A 119 -5.304 -6.606 1.411 1.00 0.00 C ATOM 934 CG1 ILE A 119 -6.426 -5.629 1.027 1.00 0.00 C ATOM 935 CG2 ILE A 119 -4.019 -6.218 0.678 1.00 0.00 C ATOM 936 CD1 ILE A 119 -6.113 -4.235 1.581 1.00 0.00 C ATOM 0 H ILE A 119 -6.150 -7.156 -0.873 1.00 0.00 H new ATOM 0 HA ILE A 119 -4.879 -8.717 1.220 1.00 0.00 H new ATOM 0 HB ILE A 119 -5.138 -6.560 2.487 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -6.527 -5.585 -0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -7.379 -5.982 1.422 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -3.734 -5.203 0.955 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -3.221 -6.907 0.954 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -4.185 -6.267 -0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -6.912 -3.546 1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -6.035 -4.284 2.667 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -5.170 -3.881 1.165 1.00 0.00 H new ATOM 948 N SER A 120 -8.100 -8.269 1.327 1.00 0.00 N ATOM 949 CA SER A 120 -9.333 -8.658 2.075 1.00 0.00 C ATOM 950 C SER A 120 -9.348 -10.171 2.300 1.00 0.00 C ATOM 951 O SER A 120 -9.826 -10.659 3.307 1.00 0.00 O ATOM 952 CB SER A 120 -10.567 -8.252 1.264 1.00 0.00 C ATOM 953 OG SER A 120 -10.708 -9.125 0.151 1.00 0.00 O ATOM 0 H SER A 120 -8.265 -7.851 0.411 1.00 0.00 H new ATOM 0 HA SER A 120 -9.344 -8.152 3.040 1.00 0.00 H new ATOM 0 HB2 SER A 120 -11.458 -8.296 1.890 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.468 -7.222 0.922 1.00 0.00 H new ATOM 0 HG SER A 120 -9.830 -9.284 -0.253 1.00 0.00 H new ATOM 959 N ALA A 121 -8.837 -10.916 1.361 1.00 0.00 N ATOM 960 CA ALA A 121 -8.824 -12.402 1.500 1.00 0.00 C ATOM 961 C ALA A 121 -7.665 -12.834 2.399 1.00 0.00 C ATOM 962 O ALA A 121 -7.569 -13.981 2.790 1.00 0.00 O ATOM 963 CB ALA A 121 -8.650 -13.035 0.120 1.00 0.00 C ATOM 0 H ALA A 121 -8.425 -10.560 0.498 1.00 0.00 H new ATOM 0 HA ALA A 121 -9.764 -12.728 1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -8.640 -14.121 0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -9.477 -12.736 -0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -7.709 -12.701 -0.318 1.00 0.00 H new ATOM 969 N GLN A 122 -6.781 -11.925 2.731 1.00 0.00 N ATOM 970 CA GLN A 122 -5.619 -12.275 3.610 1.00 0.00 C ATOM 971 C GLN A 122 -5.776 -11.581 4.960 1.00 0.00 C ATOM 972 O GLN A 122 -5.219 -12.006 5.953 1.00 0.00 O ATOM 973 CB GLN A 122 -4.319 -11.809 2.947 1.00 0.00 C ATOM 974 CG GLN A 122 -4.068 -12.642 1.690 1.00 0.00 C ATOM 975 CD GLN A 122 -2.786 -12.171 1.000 1.00 0.00 C ATOM 976 OE1 GLN A 122 -2.684 -11.031 0.591 1.00 0.00 O ATOM 977 NE2 GLN A 122 -1.798 -13.011 0.848 1.00 0.00 N ATOM 0 H GLN A 122 -6.814 -10.951 2.430 1.00 0.00 H new ATOM 0 HA GLN A 122 -5.587 -13.355 3.757 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -4.387 -10.752 2.690 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -3.485 -11.915 3.641 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -3.983 -13.696 1.953 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -4.913 -12.550 1.008 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -1.884 -13.968 1.192 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -0.940 -12.711 0.386 1.00 0.00 H new ATOM 986 N TYR A 123 -6.530 -10.508 5.008 1.00 0.00 N ATOM 987 CA TYR A 123 -6.720 -9.771 6.301 1.00 0.00 C ATOM 988 C TYR A 123 -8.199 -9.466 6.536 1.00 0.00 C ATOM 989 O TYR A 123 -9.004 -9.443 5.623 1.00 0.00 O ATOM 990 CB TYR A 123 -5.928 -8.467 6.265 1.00 0.00 C ATOM 991 CG TYR A 123 -4.461 -8.786 6.117 1.00 0.00 C ATOM 992 CD1 TYR A 123 -3.668 -8.979 7.253 1.00 0.00 C ATOM 993 CD2 TYR A 123 -3.894 -8.886 4.841 1.00 0.00 C ATOM 994 CE1 TYR A 123 -2.306 -9.274 7.115 1.00 0.00 C ATOM 995 CE2 TYR A 123 -2.533 -9.181 4.703 1.00 0.00 C ATOM 996 CZ TYR A 123 -1.739 -9.374 5.839 1.00 0.00 C ATOM 997 OH TYR A 123 -0.396 -9.661 5.702 1.00 0.00 O ATOM 0 H TYR A 123 -7.022 -10.110 4.208 1.00 0.00 H new ATOM 0 HA TYR A 123 -6.361 -10.399 7.117 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -6.264 -7.846 5.435 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -6.099 -7.898 7.179 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -4.106 -8.900 8.237 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -4.506 -8.736 3.964 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -1.694 -9.424 7.992 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -2.095 -9.260 3.719 1.00 0.00 H new ATOM 0 HH TYR A 123 -0.164 -9.696 4.750 1.00 0.00 H new ATOM 1007 N SER A 124 -8.549 -9.243 7.773 1.00 0.00 N ATOM 1008 CA SER A 124 -9.965 -8.951 8.131 1.00 0.00 C ATOM 1009 C SER A 124 -10.414 -7.610 7.549 1.00 0.00 C ATOM 1010 O SER A 124 -9.618 -6.733 7.272 1.00 0.00 O ATOM 1011 CB SER A 124 -10.088 -8.911 9.655 1.00 0.00 C ATOM 1012 OG SER A 124 -9.063 -8.083 10.190 1.00 0.00 O ATOM 0 H SER A 124 -7.903 -9.251 8.562 1.00 0.00 H new ATOM 0 HA SER A 124 -10.602 -9.732 7.716 1.00 0.00 H new ATOM 0 HB2 SER A 124 -11.067 -8.528 9.942 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.008 -9.918 10.064 1.00 0.00 H new ATOM 0 HG SER A 124 -8.709 -8.488 11.009 1.00 0.00 H new ATOM 1018 N LYS A 125 -11.697 -7.458 7.370 1.00 0.00 N ATOM 1019 CA LYS A 125 -12.250 -6.191 6.808 1.00 0.00 C ATOM 1020 C LYS A 125 -11.943 -5.021 7.743 1.00 0.00 C ATOM 1021 O LYS A 125 -11.645 -3.924 7.310 1.00 0.00 O ATOM 1022 CB LYS A 125 -13.766 -6.335 6.659 1.00 0.00 C ATOM 1023 CG LYS A 125 -14.327 -5.094 5.966 1.00 0.00 C ATOM 1024 CD LYS A 125 -15.830 -5.267 5.733 1.00 0.00 C ATOM 1025 CE LYS A 125 -16.380 -4.037 5.008 1.00 0.00 C ATOM 1026 NZ LYS A 125 -16.083 -2.813 5.806 1.00 0.00 N ATOM 0 H LYS A 125 -12.396 -8.167 7.592 1.00 0.00 H new ATOM 0 HA LYS A 125 -11.793 -5.997 5.838 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -14.003 -7.227 6.079 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -14.229 -6.459 7.638 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -14.144 -4.210 6.577 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -13.818 -4.935 5.015 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -16.016 -6.164 5.142 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -16.343 -5.401 6.685 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -15.932 -3.955 4.018 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -17.456 -4.138 4.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -16.722 -2.046 5.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -16.222 -3.015 6.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -15.098 -2.523 5.643 1.00 0.00 H new ATOM 1040 N ASN A 126 -12.022 -5.247 9.026 1.00 0.00 N ATOM 1041 CA ASN A 126 -11.743 -4.148 9.993 1.00 0.00 C ATOM 1042 C ASN A 126 -10.295 -3.687 9.828 1.00 0.00 C ATOM 1043 O ASN A 126 -9.922 -2.599 10.229 1.00 0.00 O ATOM 1044 CB ASN A 126 -11.958 -4.656 11.424 1.00 0.00 C ATOM 1045 CG ASN A 126 -11.231 -5.992 11.625 1.00 0.00 C ATOM 1046 OD1 ASN A 126 -11.851 -7.038 11.624 1.00 0.00 O ATOM 1047 ND2 ASN A 126 -9.938 -6.000 11.803 1.00 0.00 N ATOM 0 H ASN A 126 -12.267 -6.144 9.446 1.00 0.00 H new ATOM 0 HA ASN A 126 -12.417 -3.313 9.801 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -11.588 -3.921 12.138 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -13.023 -4.780 11.618 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -9.448 -6.884 11.941 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -9.418 -5.123 11.804 1.00 0.00 H new ATOM 1054 N TYR A 127 -9.474 -4.509 9.235 1.00 0.00 N ATOM 1055 CA TYR A 127 -8.040 -4.136 9.027 1.00 0.00 C ATOM 1056 C TYR A 127 -7.870 -3.566 7.614 1.00 0.00 C ATOM 1057 O TYR A 127 -6.981 -2.780 7.346 1.00 0.00 O ATOM 1058 CB TYR A 127 -7.170 -5.386 9.180 1.00 0.00 C ATOM 1059 CG TYR A 127 -5.726 -4.975 9.350 1.00 0.00 C ATOM 1060 CD1 TYR A 127 -5.314 -4.366 10.542 1.00 0.00 C ATOM 1061 CD2 TYR A 127 -4.802 -5.196 8.322 1.00 0.00 C ATOM 1062 CE1 TYR A 127 -3.979 -3.983 10.708 1.00 0.00 C ATOM 1063 CE2 TYR A 127 -3.464 -4.813 8.489 1.00 0.00 C ATOM 1064 CZ TYR A 127 -3.054 -4.205 9.680 1.00 0.00 C ATOM 1065 OH TYR A 127 -1.738 -3.826 9.840 1.00 0.00 O ATOM 0 H TYR A 127 -9.734 -5.430 8.882 1.00 0.00 H new ATOM 0 HA TYR A 127 -7.740 -3.389 9.762 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -7.498 -5.967 10.042 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -7.277 -6.026 8.304 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -6.028 -4.192 11.334 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -5.120 -5.661 7.401 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -3.662 -3.516 11.629 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -2.750 -4.987 7.698 1.00 0.00 H new ATOM 0 HH TYR A 127 -1.656 -3.253 10.631 1.00 0.00 H new ATOM 1075 N VAL A 128 -8.719 -3.969 6.706 1.00 0.00 N ATOM 1076 CA VAL A 128 -8.625 -3.469 5.298 1.00 0.00 C ATOM 1077 C VAL A 128 -8.862 -1.958 5.271 1.00 0.00 C ATOM 1078 O VAL A 128 -8.161 -1.217 4.608 1.00 0.00 O ATOM 1079 CB VAL A 128 -9.693 -4.166 4.445 1.00 0.00 C ATOM 1080 CG1 VAL A 128 -9.807 -3.478 3.077 1.00 0.00 C ATOM 1081 CG2 VAL A 128 -9.313 -5.637 4.245 1.00 0.00 C ATOM 0 H VAL A 128 -9.479 -4.627 6.878 1.00 0.00 H new ATOM 0 HA VAL A 128 -7.634 -3.685 4.900 1.00 0.00 H new ATOM 0 HB VAL A 128 -10.652 -4.102 4.958 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -10.568 -3.980 2.479 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -10.087 -2.434 3.217 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -8.848 -3.531 2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -10.073 -6.130 3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -8.349 -5.698 3.739 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -9.246 -6.131 5.215 1.00 0.00 H new ATOM 1091 N ASP A 129 -9.855 -1.501 5.980 1.00 0.00 N ATOM 1092 CA ASP A 129 -10.157 -0.041 5.991 1.00 0.00 C ATOM 1093 C ASP A 129 -8.896 0.743 6.365 1.00 0.00 C ATOM 1094 O ASP A 129 -8.561 1.737 5.748 1.00 0.00 O ATOM 1095 CB ASP A 129 -11.264 0.241 7.015 1.00 0.00 C ATOM 1096 CG ASP A 129 -10.854 -0.278 8.400 1.00 0.00 C ATOM 1097 OD1 ASP A 129 -9.878 -1.003 8.482 1.00 0.00 O ATOM 1098 OD2 ASP A 129 -11.532 0.057 9.358 1.00 0.00 O ATOM 0 H ASP A 129 -10.472 -2.076 6.554 1.00 0.00 H new ATOM 0 HA ASP A 129 -10.490 0.269 5.001 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -11.459 1.312 7.064 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -12.191 -0.238 6.700 1.00 0.00 H new ATOM 1103 N SER A 130 -8.194 0.297 7.367 1.00 0.00 N ATOM 1104 CA SER A 130 -6.947 0.998 7.787 1.00 0.00 C ATOM 1105 C SER A 130 -5.921 0.925 6.651 1.00 0.00 C ATOM 1106 O SER A 130 -5.231 1.883 6.355 1.00 0.00 O ATOM 1107 CB SER A 130 -6.388 0.317 9.037 1.00 0.00 C ATOM 1108 OG SER A 130 -7.373 0.327 10.062 1.00 0.00 O ATOM 0 H SER A 130 -8.431 -0.528 7.918 1.00 0.00 H new ATOM 0 HA SER A 130 -7.163 2.043 8.010 1.00 0.00 H new ATOM 0 HB2 SER A 130 -6.098 -0.708 8.807 1.00 0.00 H new ATOM 0 HB3 SER A 130 -5.490 0.834 9.375 1.00 0.00 H new ATOM 0 HG SER A 130 -7.016 -0.111 10.863 1.00 0.00 H new ATOM 1114 N ILE A 131 -5.826 -0.210 6.011 1.00 0.00 N ATOM 1115 CA ILE A 131 -4.861 -0.367 4.880 1.00 0.00 C ATOM 1116 C ILE A 131 -5.272 0.563 3.735 1.00 0.00 C ATOM 1117 O ILE A 131 -4.452 1.199 3.101 1.00 0.00 O ATOM 1118 CB ILE A 131 -4.867 -1.818 4.379 1.00 0.00 C ATOM 1119 CG1 ILE A 131 -4.268 -2.735 5.453 1.00 0.00 C ATOM 1120 CG2 ILE A 131 -4.037 -1.919 3.091 1.00 0.00 C ATOM 1121 CD1 ILE A 131 -4.476 -4.203 5.064 1.00 0.00 C ATOM 0 H ILE A 131 -6.378 -1.041 6.223 1.00 0.00 H new ATOM 0 HA ILE A 131 -3.859 -0.113 5.227 1.00 0.00 H new ATOM 0 HB ILE A 131 -5.892 -2.127 4.173 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -3.204 -2.528 5.568 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -4.737 -2.535 6.416 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -4.041 -2.949 2.735 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -4.468 -1.270 2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -3.012 -1.609 3.294 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -4.048 -4.847 5.832 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -5.543 -4.407 4.972 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -3.986 -4.400 4.111 1.00 0.00 H new ATOM 1133 N VAL A 132 -6.546 0.631 3.465 1.00 0.00 N ATOM 1134 CA VAL A 132 -7.044 1.500 2.360 1.00 0.00 C ATOM 1135 C VAL A 132 -6.631 2.950 2.631 1.00 0.00 C ATOM 1136 O VAL A 132 -6.200 3.668 1.748 1.00 0.00 O ATOM 1137 CB VAL A 132 -8.573 1.406 2.299 1.00 0.00 C ATOM 1138 CG1 VAL A 132 -9.114 2.453 1.319 1.00 0.00 C ATOM 1139 CG2 VAL A 132 -8.986 0.006 1.829 1.00 0.00 C ATOM 0 H VAL A 132 -7.270 0.117 3.967 1.00 0.00 H new ATOM 0 HA VAL A 132 -6.618 1.173 1.411 1.00 0.00 H new ATOM 0 HB VAL A 132 -8.984 1.591 3.292 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -10.201 2.385 1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -8.826 3.449 1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -8.700 2.271 0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -10.073 -0.058 1.787 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -8.573 -0.182 0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -8.606 -0.739 2.528 1.00 0.00 H new ATOM 1149 N ALA A 133 -6.765 3.386 3.848 1.00 0.00 N ATOM 1150 CA ALA A 133 -6.381 4.784 4.191 1.00 0.00 C ATOM 1151 C ALA A 133 -4.861 4.942 4.066 1.00 0.00 C ATOM 1152 O ALA A 133 -4.358 5.965 3.636 1.00 0.00 O ATOM 1153 CB ALA A 133 -6.805 5.074 5.633 1.00 0.00 C ATOM 0 H ALA A 133 -7.126 2.833 4.626 1.00 0.00 H new ATOM 0 HA ALA A 133 -6.873 5.480 3.512 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -6.529 6.095 5.895 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -7.885 4.955 5.726 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -6.304 4.378 6.306 1.00 0.00 H new ATOM 1159 N SER A 134 -4.127 3.933 4.449 1.00 0.00 N ATOM 1160 CA SER A 134 -2.637 4.004 4.370 1.00 0.00 C ATOM 1161 C SER A 134 -2.174 3.919 2.911 1.00 0.00 C ATOM 1162 O SER A 134 -1.473 4.780 2.416 1.00 0.00 O ATOM 1163 CB SER A 134 -2.041 2.829 5.139 1.00 0.00 C ATOM 1164 OG SER A 134 -2.446 1.614 4.521 1.00 0.00 O ATOM 0 H SER A 134 -4.497 3.056 4.816 1.00 0.00 H new ATOM 0 HA SER A 134 -2.307 4.951 4.798 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.953 2.900 5.151 1.00 0.00 H new ATOM 0 HB3 SER A 134 -2.373 2.852 6.177 1.00 0.00 H new ATOM 0 HG SER A 134 -3.393 1.671 4.276 1.00 0.00 H new ATOM 1170 N THR A 135 -2.561 2.877 2.225 1.00 0.00 N ATOM 1171 CA THR A 135 -2.146 2.714 0.797 1.00 0.00 C ATOM 1172 C THR A 135 -2.597 3.933 -0.011 1.00 0.00 C ATOM 1173 O THR A 135 -1.898 4.415 -0.881 1.00 0.00 O ATOM 1174 CB THR A 135 -2.785 1.437 0.221 1.00 0.00 C ATOM 1175 OG1 THR A 135 -2.099 1.060 -0.964 1.00 0.00 O ATOM 1176 CG2 THR A 135 -4.260 1.685 -0.106 1.00 0.00 C ATOM 0 H THR A 135 -3.149 2.128 2.591 1.00 0.00 H new ATOM 0 HA THR A 135 -1.061 2.630 0.739 1.00 0.00 H new ATOM 0 HB THR A 135 -2.713 0.640 0.961 1.00 0.00 H new ATOM 0 HG1 THR A 135 -1.892 1.860 -1.491 1.00 0.00 H new ATOM 0 HG21 THR A 135 -4.701 0.775 -0.513 1.00 0.00 H new ATOM 0 HG22 THR A 135 -4.791 1.971 0.802 1.00 0.00 H new ATOM 0 HG23 THR A 135 -4.340 2.486 -0.841 1.00 0.00 H new ATOM 1184 N ASN A 136 -3.766 4.426 0.280 1.00 0.00 N ATOM 1185 CA ASN A 136 -4.299 5.611 -0.453 1.00 0.00 C ATOM 1186 C ASN A 136 -3.374 6.809 -0.228 1.00 0.00 C ATOM 1187 O ASN A 136 -3.092 7.574 -1.131 1.00 0.00 O ATOM 1188 CB ASN A 136 -5.694 5.936 0.079 1.00 0.00 C ATOM 1189 CG ASN A 136 -6.232 7.187 -0.616 1.00 0.00 C ATOM 1190 OD1 ASN A 136 -5.562 7.775 -1.442 1.00 0.00 O ATOM 1191 ND2 ASN A 136 -7.424 7.626 -0.312 1.00 0.00 N ATOM 0 H ASN A 136 -4.384 4.056 1.002 1.00 0.00 H new ATOM 0 HA ASN A 136 -4.352 5.393 -1.520 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -6.365 5.095 -0.095 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -5.655 6.095 1.157 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -7.791 8.461 -0.768 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -7.987 7.133 0.381 1.00 0.00 H new ATOM 1198 N MET A 137 -2.895 6.971 0.974 1.00 0.00 N ATOM 1199 CA MET A 137 -1.976 8.111 1.273 1.00 0.00 C ATOM 1200 C MET A 137 -0.666 7.929 0.500 1.00 0.00 C ATOM 1201 O MET A 137 -0.062 8.879 0.040 1.00 0.00 O ATOM 1202 CB MET A 137 -1.678 8.148 2.777 1.00 0.00 C ATOM 1203 CG MET A 137 -2.856 8.774 3.525 1.00 0.00 C ATOM 1204 SD MET A 137 -2.547 8.703 5.308 1.00 0.00 S ATOM 1205 CE MET A 137 -1.129 9.828 5.349 1.00 0.00 C ATOM 0 H MET A 137 -3.100 6.362 1.766 1.00 0.00 H new ATOM 0 HA MET A 137 -2.450 9.046 0.972 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.497 7.138 3.146 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.771 8.723 2.963 1.00 0.00 H new ATOM 0 HG2 MET A 137 -2.992 9.809 3.210 1.00 0.00 H new ATOM 0 HG3 MET A 137 -3.777 8.243 3.283 1.00 0.00 H new ATOM 0 HE1 MET A 137 -1.131 10.382 6.288 1.00 0.00 H new ATOM 0 HE2 MET A 137 -0.206 9.253 5.269 1.00 0.00 H new ATOM 0 HE3 MET A 137 -1.195 10.527 4.515 1.00 0.00 H new ATOM 1215 N ILE A 138 -0.216 6.711 0.370 1.00 0.00 N ATOM 1216 CA ILE A 138 1.061 6.455 -0.358 1.00 0.00 C ATOM 1217 C ILE A 138 0.921 6.889 -1.820 1.00 0.00 C ATOM 1218 O ILE A 138 1.797 7.519 -2.384 1.00 0.00 O ATOM 1219 CB ILE A 138 1.370 4.950 -0.324 1.00 0.00 C ATOM 1220 CG1 ILE A 138 1.679 4.515 1.113 1.00 0.00 C ATOM 1221 CG2 ILE A 138 2.579 4.654 -1.220 1.00 0.00 C ATOM 1222 CD1 ILE A 138 1.860 2.991 1.181 1.00 0.00 C ATOM 0 H ILE A 138 -0.678 5.879 0.737 1.00 0.00 H new ATOM 0 HA ILE A 138 1.863 7.018 0.120 1.00 0.00 H new ATOM 0 HB ILE A 138 0.503 4.398 -0.688 1.00 0.00 H new ATOM 0 HG12 ILE A 138 2.584 5.012 1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 138 0.869 4.822 1.775 1.00 0.00 H new ATOM 0 HG21 ILE A 138 2.797 3.586 -1.195 1.00 0.00 H new ATOM 0 HG22 ILE A 138 2.356 4.955 -2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 138 3.444 5.210 -0.859 1.00 0.00 H new ATOM 0 HD11 ILE A 138 2.079 2.696 2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 138 0.944 2.501 0.850 1.00 0.00 H new ATOM 0 HD13 ILE A 138 2.685 2.693 0.534 1.00 0.00 H new ATOM 1234 N PHE A 139 -0.171 6.540 -2.437 1.00 0.00 N ATOM 1235 CA PHE A 139 -0.382 6.913 -3.865 1.00 0.00 C ATOM 1236 C PHE A 139 -0.491 8.433 -3.981 1.00 0.00 C ATOM 1237 O PHE A 139 0.080 9.052 -4.861 1.00 0.00 O ATOM 1238 CB PHE A 139 -1.674 6.263 -4.367 1.00 0.00 C ATOM 1239 CG PHE A 139 -1.490 4.761 -4.458 1.00 0.00 C ATOM 1240 CD1 PHE A 139 -0.561 4.224 -5.356 1.00 0.00 C ATOM 1241 CD2 PHE A 139 -2.249 3.905 -3.647 1.00 0.00 C ATOM 1242 CE1 PHE A 139 -0.389 2.838 -5.440 1.00 0.00 C ATOM 1243 CE2 PHE A 139 -2.078 2.521 -3.733 1.00 0.00 C ATOM 1244 CZ PHE A 139 -1.147 1.986 -4.629 1.00 0.00 C ATOM 0 H PHE A 139 -0.932 6.009 -2.013 1.00 0.00 H new ATOM 0 HA PHE A 139 0.458 6.566 -4.467 1.00 0.00 H new ATOM 0 HB2 PHE A 139 -2.497 6.498 -3.691 1.00 0.00 H new ATOM 0 HB3 PHE A 139 -1.939 6.666 -5.344 1.00 0.00 H new ATOM 0 HD1 PHE A 139 0.023 4.880 -5.984 1.00 0.00 H new ATOM 0 HD2 PHE A 139 -2.968 4.317 -2.954 1.00 0.00 H new ATOM 0 HE1 PHE A 139 0.330 2.425 -6.132 1.00 0.00 H new ATOM 0 HE2 PHE A 139 -2.665 1.864 -3.108 1.00 0.00 H new ATOM 0 HZ PHE A 139 -1.013 0.916 -4.695 1.00 0.00 H new ATOM 1254 N LYS A 140 -1.220 9.036 -3.087 1.00 0.00 N ATOM 1255 CA LYS A 140 -1.378 10.519 -3.106 1.00 0.00 C ATOM 1256 C LYS A 140 -0.025 11.172 -2.820 1.00 0.00 C ATOM 1257 O LYS A 140 0.320 12.198 -3.374 1.00 0.00 O ATOM 1258 CB LYS A 140 -2.376 10.933 -2.027 1.00 0.00 C ATOM 1259 CG LYS A 140 -3.785 10.491 -2.428 1.00 0.00 C ATOM 1260 CD LYS A 140 -4.809 11.079 -1.449 1.00 0.00 C ATOM 1261 CE LYS A 140 -4.622 10.459 -0.060 1.00 0.00 C ATOM 1262 NZ LYS A 140 -5.842 10.697 0.761 1.00 0.00 N ATOM 0 H LYS A 140 -1.719 8.561 -2.335 1.00 0.00 H new ATOM 0 HA LYS A 140 -1.741 10.838 -4.083 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -2.102 10.483 -1.073 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -2.349 12.014 -1.889 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -4.006 10.822 -3.443 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -3.849 9.403 -2.427 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -4.690 12.161 -1.392 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -5.820 10.887 -1.809 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -4.435 9.389 -0.150 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -3.751 10.895 0.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -5.714 10.276 1.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -6.001 11.720 0.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -6.664 10.261 0.296 1.00 0.00 H new ATOM 1276 N TYR A 141 0.740 10.579 -1.944 1.00 0.00 N ATOM 1277 CA TYR A 141 2.074 11.148 -1.595 1.00 0.00 C ATOM 1278 C TYR A 141 2.942 11.235 -2.854 1.00 0.00 C ATOM 1279 O TYR A 141 3.548 12.252 -3.137 1.00 0.00 O ATOM 1280 CB TYR A 141 2.751 10.225 -0.575 1.00 0.00 C ATOM 1281 CG TYR A 141 4.144 10.729 -0.281 1.00 0.00 C ATOM 1282 CD1 TYR A 141 4.326 11.831 0.563 1.00 0.00 C ATOM 1283 CD2 TYR A 141 5.256 10.095 -0.852 1.00 0.00 C ATOM 1284 CE1 TYR A 141 5.616 12.301 0.833 1.00 0.00 C ATOM 1285 CE2 TYR A 141 6.546 10.566 -0.582 1.00 0.00 C ATOM 1286 CZ TYR A 141 6.727 11.668 0.261 1.00 0.00 C ATOM 1287 OH TYR A 141 7.998 12.134 0.526 1.00 0.00 O ATOM 0 H TYR A 141 0.497 9.719 -1.452 1.00 0.00 H new ATOM 0 HA TYR A 141 1.951 12.146 -1.174 1.00 0.00 H new ATOM 0 HB2 TYR A 141 2.165 10.190 0.343 1.00 0.00 H new ATOM 0 HB3 TYR A 141 2.796 9.208 -0.964 1.00 0.00 H new ATOM 0 HD1 TYR A 141 3.470 12.319 1.006 1.00 0.00 H new ATOM 0 HD2 TYR A 141 5.117 9.243 -1.501 1.00 0.00 H new ATOM 0 HE1 TYR A 141 5.755 13.152 1.483 1.00 0.00 H new ATOM 0 HE2 TYR A 141 7.402 10.079 -1.025 1.00 0.00 H new ATOM 0 HH TYR A 141 8.654 11.582 0.052 1.00 0.00 H new ATOM 1297 N ALA A 142 3.003 10.176 -3.616 1.00 0.00 N ATOM 1298 CA ALA A 142 3.826 10.191 -4.864 1.00 0.00 C ATOM 1299 C ALA A 142 3.223 11.188 -5.857 1.00 0.00 C ATOM 1300 O ALA A 142 3.924 11.895 -6.555 1.00 0.00 O ATOM 1301 CB ALA A 142 3.823 8.794 -5.489 1.00 0.00 C ATOM 0 H ALA A 142 2.518 9.298 -3.429 1.00 0.00 H new ATOM 0 HA ALA A 142 4.848 10.484 -4.624 1.00 0.00 H new ATOM 0 HB1 ALA A 142 4.422 8.801 -6.399 1.00 0.00 H new ATOM 0 HB2 ALA A 142 4.245 8.079 -4.783 1.00 0.00 H new ATOM 0 HB3 ALA A 142 2.800 8.506 -5.730 1.00 0.00 H new ATOM 1307 N TYR A 143 1.923 11.246 -5.918 1.00 0.00 N ATOM 1308 CA TYR A 143 1.250 12.194 -6.854 1.00 0.00 C ATOM 1309 C TYR A 143 1.610 13.632 -6.471 1.00 0.00 C ATOM 1310 O TYR A 143 1.884 14.465 -7.312 1.00 0.00 O ATOM 1311 CB TYR A 143 -0.266 12.006 -6.757 1.00 0.00 C ATOM 1312 CG TYR A 143 -0.961 13.034 -7.618 1.00 0.00 C ATOM 1313 CD1 TYR A 143 -1.034 12.855 -9.004 1.00 0.00 C ATOM 1314 CD2 TYR A 143 -1.528 14.173 -7.030 1.00 0.00 C ATOM 1315 CE1 TYR A 143 -1.677 13.809 -9.802 1.00 0.00 C ATOM 1316 CE2 TYR A 143 -2.170 15.127 -7.827 1.00 0.00 C ATOM 1317 CZ TYR A 143 -2.242 14.947 -9.213 1.00 0.00 C ATOM 1318 OH TYR A 143 -2.874 15.890 -9.999 1.00 0.00 O ATOM 0 H TYR A 143 1.292 10.674 -5.357 1.00 0.00 H new ATOM 0 HA TYR A 143 1.580 11.997 -7.874 1.00 0.00 H new ATOM 0 HB2 TYR A 143 -0.539 11.002 -7.080 1.00 0.00 H new ATOM 0 HB3 TYR A 143 -0.589 12.106 -5.721 1.00 0.00 H new ATOM 0 HD1 TYR A 143 -0.594 11.980 -9.459 1.00 0.00 H new ATOM 0 HD2 TYR A 143 -1.469 14.314 -5.961 1.00 0.00 H new ATOM 0 HE1 TYR A 143 -1.737 13.667 -10.871 1.00 0.00 H new ATOM 0 HE2 TYR A 143 -2.610 16.002 -7.373 1.00 0.00 H new ATOM 0 HH TYR A 143 -3.211 16.615 -9.433 1.00 0.00 H new ATOM 1328 N ASP A 144 1.615 13.921 -5.198 1.00 0.00 N ATOM 1329 CA ASP A 144 1.953 15.301 -4.739 1.00 0.00 C ATOM 1330 C ASP A 144 3.394 15.623 -5.154 1.00 0.00 C ATOM 1331 O ASP A 144 3.712 16.733 -5.539 1.00 0.00 O ATOM 1332 CB ASP A 144 1.836 15.362 -3.205 1.00 0.00 C ATOM 1333 CG ASP A 144 0.386 15.634 -2.786 1.00 0.00 C ATOM 1334 OD1 ASP A 144 -0.436 15.864 -3.656 1.00 0.00 O ATOM 1335 OD2 ASP A 144 0.123 15.602 -1.593 1.00 0.00 O ATOM 0 H ASP A 144 1.399 13.259 -4.453 1.00 0.00 H new ATOM 0 HA ASP A 144 1.271 16.023 -5.187 1.00 0.00 H new ATOM 0 HB2 ASP A 144 2.176 14.422 -2.771 1.00 0.00 H new ATOM 0 HB3 ASP A 144 2.486 16.146 -2.816 1.00 0.00 H new ATOM 1340 N THR A 145 4.265 14.658 -5.076 1.00 0.00 N ATOM 1341 CA THR A 145 5.686 14.895 -5.462 1.00 0.00 C ATOM 1342 C THR A 145 5.803 14.908 -6.992 1.00 0.00 C ATOM 1343 O THR A 145 6.865 15.107 -7.550 1.00 0.00 O ATOM 1344 CB THR A 145 6.555 13.775 -4.875 1.00 0.00 C ATOM 1345 OG1 THR A 145 6.119 13.485 -3.554 1.00 0.00 O ATOM 1346 CG2 THR A 145 8.024 14.208 -4.848 1.00 0.00 C ATOM 0 H THR A 145 4.055 13.711 -4.761 1.00 0.00 H new ATOM 0 HA THR A 145 6.024 15.856 -5.074 1.00 0.00 H new ATOM 0 HB THR A 145 6.460 12.885 -5.497 1.00 0.00 H new ATOM 0 HG1 THR A 145 5.310 12.932 -3.590 1.00 0.00 H new ATOM 0 HG21 THR A 145 8.632 13.406 -4.430 1.00 0.00 H new ATOM 0 HG22 THR A 145 8.358 14.425 -5.863 1.00 0.00 H new ATOM 0 HG23 THR A 145 8.129 15.101 -4.233 1.00 0.00 H new ATOM 1354 N ARG A 146 4.703 14.704 -7.667 1.00 0.00 N ATOM 1355 CA ARG A 146 4.710 14.707 -9.162 1.00 0.00 C ATOM 1356 C ARG A 146 5.768 13.739 -9.684 1.00 0.00 C ATOM 1357 O ARG A 146 6.547 14.051 -10.567 1.00 0.00 O ATOM 1358 CB ARG A 146 4.984 16.124 -9.670 1.00 0.00 C ATOM 1359 CG ARG A 146 3.938 17.091 -9.092 1.00 0.00 C ATOM 1360 CD ARG A 146 2.608 16.949 -9.846 1.00 0.00 C ATOM 1361 NE ARG A 146 1.669 18.007 -9.388 1.00 0.00 N ATOM 1362 CZ ARG A 146 0.462 18.076 -9.881 1.00 0.00 C ATOM 1363 NH1 ARG A 146 0.069 17.225 -10.793 1.00 0.00 N ATOM 1364 NH2 ARG A 146 -0.352 19.000 -9.460 1.00 0.00 N ATOM 0 H ARG A 146 3.791 14.534 -7.244 1.00 0.00 H new ATOM 0 HA ARG A 146 3.736 14.382 -9.528 1.00 0.00 H new ATOM 0 HB2 ARG A 146 5.986 16.439 -9.377 1.00 0.00 H new ATOM 0 HB3 ARG A 146 4.949 16.144 -10.759 1.00 0.00 H new ATOM 0 HG2 ARG A 146 3.787 16.884 -8.033 1.00 0.00 H new ATOM 0 HG3 ARG A 146 4.299 18.117 -9.168 1.00 0.00 H new ATOM 0 HD2 ARG A 146 2.774 17.034 -10.920 1.00 0.00 H new ATOM 0 HD3 ARG A 146 2.179 15.963 -9.667 1.00 0.00 H new ATOM 0 HE ARG A 146 1.969 18.682 -8.685 1.00 0.00 H new ATOM 0 HH11 ARG A 146 0.707 16.501 -11.124 1.00 0.00 H new ATOM 0 HH12 ARG A 146 -0.875 17.285 -11.173 1.00 0.00 H new ATOM 0 HH21 ARG A 146 -0.046 19.664 -8.749 1.00 0.00 H new ATOM 0 HH22 ARG A 146 -1.296 19.060 -9.841 1.00 0.00 H new ATOM 1378 N LEU A 147 5.777 12.552 -9.151 1.00 0.00 N ATOM 1379 CA LEU A 147 6.749 11.514 -9.602 1.00 0.00 C ATOM 1380 C LEU A 147 6.063 10.584 -10.597 1.00 0.00 C ATOM 1381 O LEU A 147 6.694 10.000 -11.456 1.00 0.00 O ATOM 1382 CB LEU A 147 7.204 10.704 -8.387 1.00 0.00 C ATOM 1383 CG LEU A 147 8.167 11.543 -7.537 1.00 0.00 C ATOM 1384 CD1 LEU A 147 8.335 10.885 -6.164 1.00 0.00 C ATOM 1385 CD2 LEU A 147 9.542 11.648 -8.230 1.00 0.00 C ATOM 0 H LEU A 147 5.144 12.250 -8.411 1.00 0.00 H new ATOM 0 HA LEU A 147 7.608 11.988 -10.077 1.00 0.00 H new ATOM 0 HB2 LEU A 147 6.341 10.409 -7.791 1.00 0.00 H new ATOM 0 HB3 LEU A 147 7.695 9.787 -8.712 1.00 0.00 H new ATOM 0 HG LEU A 147 7.755 12.545 -7.419 1.00 0.00 H new ATOM 0 HD11 LEU A 147 9.019 11.479 -5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 147 7.366 10.827 -5.667 1.00 0.00 H new ATOM 0 HD13 LEU A 147 8.740 9.881 -6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 147 10.215 12.246 -7.615 1.00 0.00 H new ATOM 0 HD22 LEU A 147 9.961 10.650 -8.361 1.00 0.00 H new ATOM 0 HD23 LEU A 147 9.423 12.122 -9.204 1.00 0.00 H new ATOM 1397 N ILE A 148 4.768 10.446 -10.484 1.00 0.00 N ATOM 1398 CA ILE A 148 4.000 9.557 -11.414 1.00 0.00 C ATOM 1399 C ILE A 148 2.892 10.371 -12.081 1.00 0.00 C ATOM 1400 O ILE A 148 2.225 9.917 -12.990 1.00 0.00 O ATOM 1401 CB ILE A 148 3.401 8.397 -10.611 1.00 0.00 C ATOM 1402 CG1 ILE A 148 2.548 8.946 -9.455 1.00 0.00 C ATOM 1403 CG2 ILE A 148 4.538 7.535 -10.049 1.00 0.00 C ATOM 1404 CD1 ILE A 148 1.773 7.801 -8.797 1.00 0.00 C ATOM 0 H ILE A 148 4.200 10.916 -9.779 1.00 0.00 H new ATOM 0 HA ILE A 148 4.657 9.155 -12.185 1.00 0.00 H new ATOM 0 HB ILE A 148 2.769 7.793 -11.262 1.00 0.00 H new ATOM 0 HG12 ILE A 148 3.187 9.436 -8.720 1.00 0.00 H new ATOM 0 HG13 ILE A 148 1.855 9.700 -9.828 1.00 0.00 H new ATOM 0 HG21 ILE A 148 4.119 6.708 -9.476 1.00 0.00 H new ATOM 0 HG22 ILE A 148 5.136 7.141 -10.871 1.00 0.00 H new ATOM 0 HG23 ILE A 148 5.169 8.143 -9.400 1.00 0.00 H new ATOM 0 HD11 ILE A 148 1.170 8.193 -7.978 1.00 0.00 H new ATOM 0 HD12 ILE A 148 1.122 7.331 -9.534 1.00 0.00 H new ATOM 0 HD13 ILE A 148 2.475 7.062 -8.409 1.00 0.00 H new ATOM 1416 N LYS A 149 2.695 11.579 -11.627 1.00 0.00 N ATOM 1417 CA LYS A 149 1.635 12.451 -12.214 1.00 0.00 C ATOM 1418 C LYS A 149 0.340 11.649 -12.372 1.00 0.00 C ATOM 1419 O LYS A 149 -0.406 11.819 -13.317 1.00 0.00 O ATOM 1420 CB LYS A 149 2.100 12.990 -13.574 1.00 0.00 C ATOM 1421 CG LYS A 149 1.312 14.258 -13.928 1.00 0.00 C ATOM 1422 CD LYS A 149 1.886 14.879 -15.203 1.00 0.00 C ATOM 1423 CE LYS A 149 1.171 16.201 -15.490 1.00 0.00 C ATOM 1424 NZ LYS A 149 -0.259 15.937 -15.815 1.00 0.00 N ATOM 0 H LYS A 149 3.227 12.004 -10.868 1.00 0.00 H new ATOM 0 HA LYS A 149 1.448 13.295 -11.550 1.00 0.00 H new ATOM 0 HB2 LYS A 149 3.167 13.211 -13.542 1.00 0.00 H new ATOM 0 HB3 LYS A 149 1.954 12.233 -14.345 1.00 0.00 H new ATOM 0 HG2 LYS A 149 0.259 14.016 -14.071 1.00 0.00 H new ATOM 0 HG3 LYS A 149 1.366 14.973 -13.107 1.00 0.00 H new ATOM 0 HD2 LYS A 149 2.956 15.049 -15.088 1.00 0.00 H new ATOM 0 HD3 LYS A 149 1.760 14.195 -16.042 1.00 0.00 H new ATOM 0 HE2 LYS A 149 1.242 16.860 -14.624 1.00 0.00 H new ATOM 0 HE3 LYS A 149 1.654 16.714 -16.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 -0.678 16.783 -16.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 -0.323 15.138 -16.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 -0.776 15.705 -14.943 1.00 0.00 H new ATOM 1438 N ALA A 150 0.070 10.777 -11.440 1.00 0.00 N ATOM 1439 CA ALA A 150 -1.174 9.957 -11.510 1.00 0.00 C ATOM 1440 C ALA A 150 -1.621 9.578 -10.096 1.00 0.00 C ATOM 1441 O ALA A 150 -0.826 9.493 -9.178 1.00 0.00 O ATOM 1442 CB ALA A 150 -0.911 8.681 -12.311 1.00 0.00 C ATOM 0 H ALA A 150 0.660 10.596 -10.628 1.00 0.00 H new ATOM 0 HA ALA A 150 -1.955 10.539 -11.999 1.00 0.00 H new ATOM 0 HB1 ALA A 150 -1.823 8.087 -12.358 1.00 0.00 H new ATOM 0 HB2 ALA A 150 -0.596 8.944 -13.321 1.00 0.00 H new ATOM 0 HB3 ALA A 150 -0.126 8.102 -11.825 1.00 0.00 H new ATOM 1448 N MET A 151 -2.894 9.347 -9.923 1.00 0.00 N ATOM 1449 CA MET A 151 -3.421 8.967 -8.579 1.00 0.00 C ATOM 1450 C MET A 151 -4.709 8.147 -8.748 1.00 0.00 C ATOM 1451 O MET A 151 -5.799 8.659 -8.591 1.00 0.00 O ATOM 1452 CB MET A 151 -3.722 10.234 -7.766 1.00 0.00 C ATOM 1453 CG MET A 151 -4.366 11.294 -8.662 1.00 0.00 C ATOM 1454 SD MET A 151 -5.086 12.590 -7.622 1.00 0.00 S ATOM 1455 CE MET A 151 -5.697 13.648 -8.957 1.00 0.00 C ATOM 0 H MET A 151 -3.597 9.405 -10.660 1.00 0.00 H new ATOM 0 HA MET A 151 -2.676 8.370 -8.053 1.00 0.00 H new ATOM 0 HB2 MET A 151 -4.388 9.994 -6.937 1.00 0.00 H new ATOM 0 HB3 MET A 151 -2.801 10.624 -7.332 1.00 0.00 H new ATOM 0 HG2 MET A 151 -3.622 11.721 -9.334 1.00 0.00 H new ATOM 0 HG3 MET A 151 -5.136 10.841 -9.286 1.00 0.00 H new ATOM 0 HE1 MET A 151 -6.042 14.595 -8.542 1.00 0.00 H new ATOM 0 HE2 MET A 151 -4.894 13.835 -9.669 1.00 0.00 H new ATOM 0 HE3 MET A 151 -6.524 13.152 -9.465 1.00 0.00 H new ATOM 1465 N PRO A 152 -4.581 6.881 -9.064 1.00 0.00 N ATOM 1466 CA PRO A 152 -5.749 5.969 -9.249 1.00 0.00 C ATOM 1467 C PRO A 152 -6.603 5.848 -7.982 1.00 0.00 C ATOM 1468 O PRO A 152 -6.100 5.897 -6.877 1.00 0.00 O ATOM 1469 CB PRO A 152 -5.111 4.611 -9.607 1.00 0.00 C ATOM 1470 CG PRO A 152 -3.734 4.947 -10.082 1.00 0.00 C ATOM 1471 CD PRO A 152 -3.311 6.181 -9.290 1.00 0.00 C ATOM 0 HA PRO A 152 -6.430 6.341 -10.015 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -5.080 3.949 -8.742 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -5.682 4.098 -10.381 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -3.048 4.118 -9.910 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -3.728 5.149 -11.153 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -2.826 5.911 -8.352 1.00 0.00 H new ATOM 0 HD3 PRO A 152 -2.605 6.796 -9.848 1.00 0.00 H new