USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=21 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 112 TYR OH : rot 82:sc= -0.343! USER MOD Set 1.2: A 136 ASN : amide:sc= -0.828 K(o=-1.2,f=-5.2!) USER MOD Set 2.1: A 66 LYS NZ :NH3+ 172:sc= -2.08! (180deg=-0.616) USER MOD Set 2.2: A 93 GLN : amide:sc= -2.8! K(o=-4.9!,f=-0.31) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0615) USER MOD Single : A 75 GLN : amide:sc=-0.00567 K(o=-0.0057,f=-1.5!) USER MOD Single : A 76 TYR OH : rot 150:sc= -0.697 USER MOD Single : A 78 ASN : amide:sc= -0.0333 K(o=-0.033,f=-2.2!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 161:sc= -0.394! USER MOD Single : A 90 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.431) USER MOD Single : A 94 HIS : no HD1:sc= -0.831 X(o=-0.83,f=-0.78) USER MOD Single : A 100 ASN : amide:sc= -0.087 X(o=-0.087,f=-0.53) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -160:sc= -0.202 (180deg=-1.13) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 106 THR OG1 : rot -68:sc= -0.0687 USER MOD Single : A 108 LYS NZ :NH3+ -121:sc= -0.822 (180deg=-2.54!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 GLN : amide:sc= -2.09 K(o=-2.1,f=-0.31) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= -1.24! K(o=-1.2!,f=0) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -0.118 K(o=-0.12,f=-0.69) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 130:sc= -1.03 USER MOD Single : A 135 THR OG1 : rot 95:sc= 1.28 USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) 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 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 THR OG1 : rot 78:sc= 0.102 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 65 9.781 4.514 -5.927 1.00 0.00 N ATOM 16 CA PHE A 65 8.430 4.237 -5.364 1.00 0.00 C ATOM 17 C PHE A 65 8.552 3.335 -4.132 1.00 0.00 C ATOM 18 O PHE A 65 7.912 3.554 -3.124 1.00 0.00 O ATOM 19 CB PHE A 65 7.585 3.537 -6.429 1.00 0.00 C ATOM 20 CG PHE A 65 8.286 2.276 -6.885 1.00 0.00 C ATOM 21 CD1 PHE A 65 8.094 1.076 -6.189 1.00 0.00 C ATOM 22 CD2 PHE A 65 9.126 2.308 -8.007 1.00 0.00 C ATOM 23 CE1 PHE A 65 8.740 -0.091 -6.616 1.00 0.00 C ATOM 24 CE2 PHE A 65 9.772 1.140 -8.432 1.00 0.00 C ATOM 25 CZ PHE A 65 9.579 -0.059 -7.736 1.00 0.00 C ATOM 0 HA PHE A 65 7.957 5.174 -5.070 1.00 0.00 H new ATOM 0 HB2 PHE A 65 6.602 3.293 -6.026 1.00 0.00 H new ATOM 0 HB3 PHE A 65 7.425 4.203 -7.277 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.448 1.051 -5.324 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.275 3.233 -8.544 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.591 -1.017 -6.080 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.419 1.165 -9.297 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.077 -0.960 -8.063 1.00 0.00 H new ATOM 35 N LYS A 66 9.366 2.320 -4.210 1.00 0.00 N ATOM 36 CA LYS A 66 9.530 1.397 -3.053 1.00 0.00 C ATOM 37 C LYS A 66 10.068 2.172 -1.849 1.00 0.00 C ATOM 38 O LYS A 66 9.589 2.030 -0.742 1.00 0.00 O ATOM 39 CB LYS A 66 10.524 0.298 -3.434 1.00 0.00 C ATOM 40 CG LYS A 66 10.633 -0.719 -2.297 1.00 0.00 C ATOM 41 CD LYS A 66 11.592 -1.839 -2.704 1.00 0.00 C ATOM 42 CE LYS A 66 11.693 -2.859 -1.570 1.00 0.00 C ATOM 43 NZ LYS A 66 10.354 -3.469 -1.332 1.00 0.00 N ATOM 0 H LYS A 66 9.928 2.089 -5.030 1.00 0.00 H new ATOM 0 HA LYS A 66 8.567 0.956 -2.795 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.199 -0.198 -4.348 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.502 0.734 -3.639 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.991 -0.230 -1.391 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.650 -1.132 -2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.237 -2.324 -3.613 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.576 -1.427 -2.926 1.00 0.00 H new ATOM 0 HE2 LYS A 66 12.417 -3.633 -1.825 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.051 -2.375 -0.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.446 -4.256 -0.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.710 -2.752 -0.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.970 -3.826 -2.230 1.00 0.00 H new ATOM 57 N GLN A 67 11.060 2.988 -2.059 1.00 0.00 N ATOM 58 CA GLN A 67 11.637 3.774 -0.935 1.00 0.00 C ATOM 59 C GLN A 67 10.602 4.777 -0.418 1.00 0.00 C ATOM 60 O GLN A 67 10.422 4.940 0.771 1.00 0.00 O ATOM 61 CB GLN A 67 12.867 4.528 -1.440 1.00 0.00 C ATOM 62 CG GLN A 67 13.978 3.531 -1.779 1.00 0.00 C ATOM 63 CD GLN A 67 15.174 4.281 -2.368 1.00 0.00 C ATOM 64 OE1 GLN A 67 15.061 4.909 -3.401 1.00 0.00 O ATOM 65 NE2 GLN A 67 16.323 4.243 -1.749 1.00 0.00 N ATOM 0 H GLN A 67 11.499 3.146 -2.966 1.00 0.00 H new ATOM 0 HA GLN A 67 11.918 3.102 -0.124 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.610 5.115 -2.322 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.213 5.229 -0.681 1.00 0.00 H new ATOM 0 HG2 GLN A 67 14.281 2.989 -0.883 1.00 0.00 H new ATOM 0 HG3 GLN A 67 13.613 2.791 -2.491 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.418 3.715 -0.881 1.00 0.00 H new ATOM 0 HE22 GLN A 67 17.126 4.741 -2.133 1.00 0.00 H new ATOM 74 N VAL A 68 9.922 5.452 -1.305 1.00 0.00 N ATOM 75 CA VAL A 68 8.901 6.445 -0.869 1.00 0.00 C ATOM 76 C VAL A 68 7.766 5.730 -0.130 1.00 0.00 C ATOM 77 O VAL A 68 7.330 6.157 0.919 1.00 0.00 O ATOM 78 CB VAL A 68 8.339 7.161 -2.104 1.00 0.00 C ATOM 79 CG1 VAL A 68 7.136 8.023 -1.707 1.00 0.00 C ATOM 80 CG2 VAL A 68 9.427 8.051 -2.717 1.00 0.00 C ATOM 0 H VAL A 68 10.030 5.358 -2.315 1.00 0.00 H new ATOM 0 HA VAL A 68 9.361 7.171 -0.199 1.00 0.00 H new ATOM 0 HB VAL A 68 8.019 6.418 -2.834 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.743 8.528 -2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.361 7.389 -1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.447 8.766 -0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 68 9.029 8.560 -3.595 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.749 8.790 -1.983 1.00 0.00 H new ATOM 0 HG23 VAL A 68 10.278 7.436 -3.009 1.00 0.00 H new ATOM 90 N ALA A 69 7.284 4.647 -0.673 1.00 0.00 N ATOM 91 CA ALA A 69 6.178 3.904 -0.011 1.00 0.00 C ATOM 92 C ALA A 69 6.648 3.369 1.345 1.00 0.00 C ATOM 93 O ALA A 69 5.985 3.520 2.352 1.00 0.00 O ATOM 94 CB ALA A 69 5.769 2.732 -0.903 1.00 0.00 C ATOM 0 H ALA A 69 7.611 4.243 -1.551 1.00 0.00 H new ATOM 0 HA ALA A 69 5.331 4.572 0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.958 2.179 -0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.434 3.110 -1.869 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.623 2.070 -1.049 1.00 0.00 H new ATOM 100 N ASP A 70 7.790 2.743 1.369 1.00 0.00 N ATOM 101 CA ASP A 70 8.322 2.186 2.642 1.00 0.00 C ATOM 102 C ASP A 70 8.621 3.323 3.623 1.00 0.00 C ATOM 103 O ASP A 70 8.479 3.177 4.820 1.00 0.00 O ATOM 104 CB ASP A 70 9.609 1.415 2.345 1.00 0.00 C ATOM 105 CG ASP A 70 10.099 0.721 3.616 1.00 0.00 C ATOM 106 OD1 ASP A 70 9.509 0.952 4.659 1.00 0.00 O ATOM 107 OD2 ASP A 70 11.053 -0.033 3.524 1.00 0.00 O ATOM 0 H ASP A 70 8.383 2.592 0.553 1.00 0.00 H new ATOM 0 HA ASP A 70 7.583 1.519 3.087 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.430 0.678 1.562 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.374 2.096 1.973 1.00 0.00 H new ATOM 112 N ASP A 71 9.044 4.449 3.123 1.00 0.00 N ATOM 113 CA ASP A 71 9.366 5.597 4.017 1.00 0.00 C ATOM 114 C ASP A 71 8.117 6.025 4.789 1.00 0.00 C ATOM 115 O ASP A 71 8.171 6.301 5.971 1.00 0.00 O ATOM 116 CB ASP A 71 9.856 6.769 3.164 1.00 0.00 C ATOM 117 CG ASP A 71 10.197 7.957 4.065 1.00 0.00 C ATOM 118 OD1 ASP A 71 9.935 7.869 5.253 1.00 0.00 O ATOM 119 OD2 ASP A 71 10.713 8.934 3.550 1.00 0.00 O ATOM 0 H ASP A 71 9.182 4.625 2.128 1.00 0.00 H new ATOM 0 HA ASP A 71 10.139 5.298 4.725 1.00 0.00 H new ATOM 0 HB2 ASP A 71 10.734 6.472 2.591 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.088 7.054 2.445 1.00 0.00 H new ATOM 124 N TRP A 72 6.996 6.099 4.131 1.00 0.00 N ATOM 125 CA TRP A 72 5.754 6.524 4.827 1.00 0.00 C ATOM 126 C TRP A 72 5.385 5.488 5.895 1.00 0.00 C ATOM 127 O TRP A 72 5.082 5.822 7.021 1.00 0.00 O ATOM 128 CB TRP A 72 4.617 6.645 3.793 1.00 0.00 C ATOM 129 CG TRP A 72 3.634 7.686 4.231 1.00 0.00 C ATOM 130 CD1 TRP A 72 3.609 8.956 3.773 1.00 0.00 C ATOM 131 CD2 TRP A 72 2.552 7.576 5.198 1.00 0.00 C ATOM 132 NE1 TRP A 72 2.581 9.636 4.398 1.00 0.00 N ATOM 133 CE2 TRP A 72 1.897 8.827 5.282 1.00 0.00 C ATOM 134 CE3 TRP A 72 2.073 6.523 5.997 1.00 0.00 C ATOM 135 CZ2 TRP A 72 0.813 9.029 6.137 1.00 0.00 C ATOM 136 CZ3 TRP A 72 0.981 6.722 6.857 1.00 0.00 C ATOM 137 CH2 TRP A 72 0.350 7.971 6.923 1.00 0.00 C ATOM 0 H TRP A 72 6.887 5.883 3.140 1.00 0.00 H new ATOM 0 HA TRP A 72 5.909 7.489 5.310 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.028 6.908 2.818 1.00 0.00 H new ATOM 0 HB3 TRP A 72 4.115 5.684 3.679 1.00 0.00 H new ATOM 0 HD1 TRP A 72 4.282 9.372 3.038 1.00 0.00 H new ATOM 0 HE1 TRP A 72 2.356 10.616 4.227 1.00 0.00 H new ATOM 0 HE3 TRP A 72 2.548 5.554 5.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 0.335 9.996 6.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 0.626 5.908 7.471 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -0.494 8.116 7.581 1.00 0.00 H new ATOM 148 N LEU A 73 5.403 4.233 5.540 1.00 0.00 N ATOM 149 CA LEU A 73 5.051 3.168 6.520 1.00 0.00 C ATOM 150 C LEU A 73 6.069 3.153 7.666 1.00 0.00 C ATOM 151 O LEU A 73 5.714 3.031 8.822 1.00 0.00 O ATOM 152 CB LEU A 73 5.059 1.810 5.794 1.00 0.00 C ATOM 153 CG LEU A 73 3.686 1.538 5.158 1.00 0.00 C ATOM 154 CD1 LEU A 73 2.624 1.286 6.255 1.00 0.00 C ATOM 155 CD2 LEU A 73 3.278 2.737 4.288 1.00 0.00 C ATOM 0 H LEU A 73 5.648 3.898 4.608 1.00 0.00 H new ATOM 0 HA LEU A 73 4.062 3.361 6.937 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.831 1.806 5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.306 1.015 6.498 1.00 0.00 H new ATOM 0 HG LEU A 73 3.752 0.647 4.534 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.657 1.095 5.789 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.916 0.422 6.852 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.550 2.163 6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.305 2.545 3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.221 3.633 4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.019 2.885 3.503 1.00 0.00 H new ATOM 167 N LYS A 74 7.330 3.270 7.360 1.00 0.00 N ATOM 168 CA LYS A 74 8.353 3.256 8.437 1.00 0.00 C ATOM 169 C LYS A 74 8.167 4.482 9.331 1.00 0.00 C ATOM 170 O LYS A 74 8.160 4.385 10.542 1.00 0.00 O ATOM 171 CB LYS A 74 9.743 3.286 7.808 1.00 0.00 C ATOM 172 CG LYS A 74 10.797 3.142 8.905 1.00 0.00 C ATOM 173 CD LYS A 74 12.188 3.087 8.273 1.00 0.00 C ATOM 174 CE LYS A 74 13.241 2.928 9.372 1.00 0.00 C ATOM 175 NZ LYS A 74 13.240 1.521 9.864 1.00 0.00 N ATOM 0 H LYS A 74 7.694 3.374 6.413 1.00 0.00 H new ATOM 0 HA LYS A 74 8.244 2.353 9.037 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.844 2.479 7.083 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.890 4.221 7.267 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.734 3.982 9.597 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.613 2.237 9.484 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.249 2.254 7.573 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.376 3.997 7.703 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.227 3.188 8.986 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.030 3.612 10.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.061 1.369 10.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.366 1.340 10.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.292 0.870 9.055 1.00 0.00 H new ATOM 189 N GLN A 75 8.006 5.632 8.741 1.00 0.00 N ATOM 190 CA GLN A 75 7.810 6.866 9.547 1.00 0.00 C ATOM 191 C GLN A 75 6.462 6.787 10.261 1.00 0.00 C ATOM 192 O GLN A 75 6.318 7.203 11.392 1.00 0.00 O ATOM 193 CB GLN A 75 7.827 8.082 8.622 1.00 0.00 C ATOM 194 CG GLN A 75 7.653 9.354 9.453 1.00 0.00 C ATOM 195 CD GLN A 75 7.814 10.581 8.554 1.00 0.00 C ATOM 196 OE1 GLN A 75 8.386 10.494 7.486 1.00 0.00 O ATOM 197 NE2 GLN A 75 7.330 11.726 8.947 1.00 0.00 N ATOM 0 H GLN A 75 8.002 5.770 7.730 1.00 0.00 H new ATOM 0 HA GLN A 75 8.609 6.959 10.282 1.00 0.00 H new ATOM 0 HB2 GLN A 75 8.766 8.120 8.071 1.00 0.00 H new ATOM 0 HB3 GLN A 75 7.028 8.004 7.885 1.00 0.00 H new ATOM 0 HG2 GLN A 75 6.670 9.362 9.923 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.390 9.380 10.256 1.00 0.00 H new ATOM 0 HE21 GLN A 75 6.850 11.796 9.844 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.431 12.552 8.357 1.00 0.00 H new ATOM 206 N TYR A 76 5.476 6.250 9.603 1.00 0.00 N ATOM 207 CA TYR A 76 4.134 6.130 10.226 1.00 0.00 C ATOM 208 C TYR A 76 4.184 5.053 11.309 1.00 0.00 C ATOM 209 O TYR A 76 3.278 4.911 12.104 1.00 0.00 O ATOM 210 CB TYR A 76 3.116 5.738 9.155 1.00 0.00 C ATOM 211 CG TYR A 76 1.765 5.535 9.795 1.00 0.00 C ATOM 212 CD1 TYR A 76 0.944 6.636 10.063 1.00 0.00 C ATOM 213 CD2 TYR A 76 1.334 4.243 10.121 1.00 0.00 C ATOM 214 CE1 TYR A 76 -0.308 6.447 10.658 1.00 0.00 C ATOM 215 CE2 TYR A 76 0.083 4.053 10.718 1.00 0.00 C ATOM 216 CZ TYR A 76 -0.739 5.155 10.986 1.00 0.00 C ATOM 217 OH TYR A 76 -1.973 4.970 11.577 1.00 0.00 O ATOM 0 H TYR A 76 5.544 5.886 8.652 1.00 0.00 H new ATOM 0 HA TYR A 76 3.841 7.081 10.671 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.056 6.515 8.393 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.434 4.824 8.653 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.277 7.632 9.810 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.967 3.393 9.912 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.942 7.297 10.864 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.249 3.057 10.972 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.331 4.094 11.320 1.00 0.00 H new ATOM 227 N ALA A 77 5.241 4.291 11.339 1.00 0.00 N ATOM 228 CA ALA A 77 5.358 3.221 12.362 1.00 0.00 C ATOM 229 C ALA A 77 5.577 3.851 13.740 1.00 0.00 C ATOM 230 O ALA A 77 5.465 3.198 14.758 1.00 0.00 O ATOM 231 CB ALA A 77 6.546 2.321 12.015 1.00 0.00 C ATOM 0 H ALA A 77 6.030 4.365 10.697 1.00 0.00 H new ATOM 0 HA ALA A 77 4.443 2.629 12.379 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.637 1.533 12.763 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.389 1.873 11.034 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.460 2.915 12.001 1.00 0.00 H new ATOM 237 N ASN A 78 5.883 5.119 13.779 1.00 0.00 N ATOM 238 CA ASN A 78 6.107 5.801 15.085 1.00 0.00 C ATOM 239 C ASN A 78 4.778 6.346 15.610 1.00 0.00 C ATOM 240 O ASN A 78 4.683 6.803 16.730 1.00 0.00 O ATOM 241 CB ASN A 78 7.091 6.956 14.886 1.00 0.00 C ATOM 242 CG ASN A 78 8.505 6.400 14.699 1.00 0.00 C ATOM 243 OD1 ASN A 78 8.762 5.250 14.998 1.00 0.00 O ATOM 244 ND2 ASN A 78 9.440 7.175 14.221 1.00 0.00 N ATOM 0 H ASN A 78 5.988 5.715 12.958 1.00 0.00 H new ATOM 0 HA ASN A 78 6.515 5.092 15.805 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.803 7.546 14.016 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.063 7.623 15.747 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.387 6.816 14.098 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.224 8.140 13.970 1.00 0.00 H new ATOM 251 N ASP A 79 3.749 6.304 14.806 1.00 0.00 N ATOM 252 CA ASP A 79 2.419 6.820 15.251 1.00 0.00 C ATOM 253 C ASP A 79 1.561 5.660 15.754 1.00 0.00 C ATOM 254 O ASP A 79 0.622 5.857 16.496 1.00 0.00 O ATOM 255 CB ASP A 79 1.713 7.476 14.063 1.00 0.00 C ATOM 256 CG ASP A 79 0.447 8.188 14.541 1.00 0.00 C ATOM 257 OD1 ASP A 79 0.101 8.027 15.701 1.00 0.00 O ATOM 258 OD2 ASP A 79 -0.154 8.886 13.742 1.00 0.00 O ATOM 0 H ASP A 79 3.771 5.933 13.856 1.00 0.00 H new ATOM 0 HA ASP A 79 2.562 7.546 16.052 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.381 8.188 13.579 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.458 6.722 13.318 1.00 0.00 H new ATOM 263 N VAL A 80 1.864 4.453 15.335 1.00 0.00 N ATOM 264 CA VAL A 80 1.054 3.264 15.767 1.00 0.00 C ATOM 265 C VAL A 80 1.972 2.163 16.309 1.00 0.00 C ATOM 266 O VAL A 80 3.169 2.173 16.105 1.00 0.00 O ATOM 267 CB VAL A 80 0.266 2.732 14.567 1.00 0.00 C ATOM 268 CG1 VAL A 80 -0.715 1.656 15.034 1.00 0.00 C ATOM 269 CG2 VAL A 80 -0.510 3.878 13.917 1.00 0.00 C ATOM 0 H VAL A 80 2.641 4.238 14.710 1.00 0.00 H new ATOM 0 HA VAL A 80 0.367 3.566 16.558 1.00 0.00 H new ATOM 0 HB VAL A 80 0.958 2.303 13.842 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.275 1.278 14.179 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.164 0.837 15.497 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.406 2.084 15.760 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.071 3.499 13.063 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.200 4.308 14.643 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.188 4.645 13.581 1.00 0.00 H new ATOM 279 N LYS A 81 1.405 1.219 17.011 1.00 0.00 N ATOM 280 CA LYS A 81 2.208 0.109 17.599 1.00 0.00 C ATOM 281 C LYS A 81 3.043 -0.587 16.518 1.00 0.00 C ATOM 282 O LYS A 81 2.644 -0.697 15.377 1.00 0.00 O ATOM 283 CB LYS A 81 1.259 -0.908 18.237 1.00 0.00 C ATOM 284 CG LYS A 81 0.564 -0.271 19.444 1.00 0.00 C ATOM 285 CD LYS A 81 -0.414 -1.273 20.064 1.00 0.00 C ATOM 286 CE LYS A 81 -1.110 -0.632 21.268 1.00 0.00 C ATOM 287 NZ LYS A 81 -2.087 -1.596 21.851 1.00 0.00 N ATOM 0 H LYS A 81 0.405 1.170 17.204 1.00 0.00 H new ATOM 0 HA LYS A 81 2.883 0.520 18.349 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.518 -1.236 17.509 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.814 -1.793 18.549 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.305 0.034 20.183 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.031 0.629 19.136 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.154 -1.580 19.325 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.118 -2.172 20.375 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.372 -0.347 22.018 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.622 0.280 20.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.559 -1.160 22.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.797 -1.847 21.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.587 -2.455 22.158 1.00 0.00 H new ATOM 301 N VAL A 82 4.203 -1.062 16.887 1.00 0.00 N ATOM 302 CA VAL A 82 5.091 -1.761 15.913 1.00 0.00 C ATOM 303 C VAL A 82 4.422 -3.055 15.433 1.00 0.00 C ATOM 304 O VAL A 82 4.445 -3.380 14.264 1.00 0.00 O ATOM 305 CB VAL A 82 6.412 -2.098 16.608 1.00 0.00 C ATOM 306 CG1 VAL A 82 7.287 -2.943 15.680 1.00 0.00 C ATOM 307 CG2 VAL A 82 7.147 -0.804 16.963 1.00 0.00 C ATOM 0 H VAL A 82 4.577 -0.994 17.833 1.00 0.00 H new ATOM 0 HA VAL A 82 5.273 -1.116 15.053 1.00 0.00 H new ATOM 0 HB VAL A 82 6.205 -2.662 17.517 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.226 -3.179 16.181 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.766 -3.867 15.431 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.493 -2.385 14.767 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.088 -1.044 17.458 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.350 -0.239 16.053 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.528 -0.205 17.631 1.00 0.00 H new ATOM 317 N SER A 83 3.841 -3.804 16.332 1.00 0.00 N ATOM 318 CA SER A 83 3.184 -5.082 15.933 1.00 0.00 C ATOM 319 C SER A 83 2.070 -4.808 14.918 1.00 0.00 C ATOM 320 O SER A 83 1.980 -5.451 13.889 1.00 0.00 O ATOM 321 CB SER A 83 2.575 -5.727 17.178 1.00 0.00 C ATOM 322 OG SER A 83 1.669 -6.751 16.786 1.00 0.00 O ATOM 0 H SER A 83 3.793 -3.585 17.327 1.00 0.00 H new ATOM 0 HA SER A 83 3.923 -5.744 15.481 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.362 -6.144 17.807 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.056 -4.976 17.773 1.00 0.00 H new ATOM 0 HG SER A 83 1.279 -7.166 17.584 1.00 0.00 H new ATOM 328 N SER A 84 1.225 -3.857 15.198 1.00 0.00 N ATOM 329 CA SER A 84 0.115 -3.532 14.258 1.00 0.00 C ATOM 330 C SER A 84 0.693 -3.026 12.935 1.00 0.00 C ATOM 331 O SER A 84 0.240 -3.385 11.866 1.00 0.00 O ATOM 332 CB SER A 84 -0.767 -2.454 14.882 1.00 0.00 C ATOM 333 OG SER A 84 -1.851 -2.168 14.011 1.00 0.00 O ATOM 0 H SER A 84 1.255 -3.286 16.043 1.00 0.00 H new ATOM 0 HA SER A 84 -0.479 -4.426 14.067 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.142 -2.790 15.849 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.184 -1.551 15.063 1.00 0.00 H new ATOM 0 HG SER A 84 -2.566 -1.724 14.513 1.00 0.00 H new ATOM 339 N VAL A 85 1.692 -2.195 13.003 1.00 0.00 N ATOM 340 CA VAL A 85 2.315 -1.658 11.763 1.00 0.00 C ATOM 341 C VAL A 85 2.954 -2.803 10.980 1.00 0.00 C ATOM 342 O VAL A 85 2.870 -2.862 9.773 1.00 0.00 O ATOM 343 CB VAL A 85 3.388 -0.634 12.140 1.00 0.00 C ATOM 344 CG1 VAL A 85 4.115 -0.169 10.872 1.00 0.00 C ATOM 345 CG2 VAL A 85 2.727 0.566 12.855 1.00 0.00 C ATOM 0 H VAL A 85 2.108 -1.861 13.872 1.00 0.00 H new ATOM 0 HA VAL A 85 1.554 -1.179 11.147 1.00 0.00 H new ATOM 0 HB VAL A 85 4.113 -1.088 12.816 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.880 0.561 11.138 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.583 -1.025 10.386 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.399 0.288 10.189 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.491 1.295 13.124 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.000 1.031 12.189 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.223 0.219 13.757 1.00 0.00 H new ATOM 355 N ARG A 86 3.599 -3.709 11.659 1.00 0.00 N ATOM 356 CA ARG A 86 4.253 -4.845 10.953 1.00 0.00 C ATOM 357 C ARG A 86 3.222 -5.565 10.080 1.00 0.00 C ATOM 358 O ARG A 86 3.482 -5.891 8.939 1.00 0.00 O ATOM 359 CB ARG A 86 4.799 -5.830 11.992 1.00 0.00 C ATOM 360 CG ARG A 86 5.575 -6.950 11.292 1.00 0.00 C ATOM 361 CD ARG A 86 6.099 -7.945 12.332 1.00 0.00 C ATOM 362 NE ARG A 86 4.948 -8.631 12.996 1.00 0.00 N ATOM 363 CZ ARG A 86 4.425 -9.710 12.472 1.00 0.00 C ATOM 364 NH1 ARG A 86 4.910 -10.211 11.368 1.00 0.00 N ATOM 365 NH2 ARG A 86 3.416 -10.294 13.060 1.00 0.00 N ATOM 0 H ARG A 86 3.702 -3.712 12.674 1.00 0.00 H new ATOM 0 HA ARG A 86 5.064 -4.470 10.329 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.450 -5.308 12.693 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.978 -6.252 12.572 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.929 -7.462 10.579 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.406 -6.530 10.725 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.746 -8.680 11.853 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.703 -7.425 13.075 1.00 0.00 H new ATOM 0 HE ARG A 86 4.568 -8.255 13.864 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.702 -9.761 10.908 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.497 -11.052 10.965 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.038 -9.909 13.925 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.006 -11.135 12.654 1.00 0.00 H new ATOM 379 N ALA A 87 2.056 -5.818 10.606 1.00 0.00 N ATOM 380 CA ALA A 87 1.014 -6.520 9.805 1.00 0.00 C ATOM 381 C ALA A 87 0.649 -5.689 8.568 1.00 0.00 C ATOM 382 O ALA A 87 0.646 -6.179 7.451 1.00 0.00 O ATOM 383 CB ALA A 87 -0.229 -6.709 10.673 1.00 0.00 C ATOM 0 H ALA A 87 1.779 -5.569 11.556 1.00 0.00 H new ATOM 0 HA ALA A 87 1.397 -7.487 9.479 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.000 -7.222 10.098 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.026 -7.304 11.550 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.602 -5.736 10.992 1.00 0.00 H new ATOM 389 N ARG A 88 0.349 -4.433 8.753 1.00 0.00 N ATOM 390 CA ARG A 88 -0.013 -3.574 7.593 1.00 0.00 C ATOM 391 C ARG A 88 1.200 -3.423 6.674 1.00 0.00 C ATOM 392 O ARG A 88 1.079 -3.393 5.467 1.00 0.00 O ATOM 393 CB ARG A 88 -0.444 -2.191 8.090 1.00 0.00 C ATOM 394 CG ARG A 88 -1.804 -2.294 8.787 1.00 0.00 C ATOM 395 CD ARG A 88 -2.303 -0.891 9.144 1.00 0.00 C ATOM 396 NE ARG A 88 -1.404 -0.278 10.168 1.00 0.00 N ATOM 397 CZ ARG A 88 -1.602 -0.503 11.441 1.00 0.00 C ATOM 398 NH1 ARG A 88 -2.592 -1.261 11.828 1.00 0.00 N ATOM 399 NH2 ARG A 88 -0.811 0.040 12.327 1.00 0.00 N ATOM 0 H ARG A 88 0.339 -3.965 9.659 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.835 -4.036 7.046 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.300 -1.794 8.780 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.505 -1.496 7.253 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.522 -2.792 8.135 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.718 -2.901 9.688 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.330 -0.267 8.251 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.322 -0.944 9.527 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.632 0.319 9.873 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.214 -1.680 11.137 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.743 -1.434 12.822 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.041 0.638 12.025 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.963 -0.134 13.321 1.00 0.00 H new ATOM 413 N GLU A 89 2.367 -3.325 7.241 1.00 0.00 N ATOM 414 CA GLU A 89 3.594 -3.168 6.418 1.00 0.00 C ATOM 415 C GLU A 89 3.659 -4.296 5.386 1.00 0.00 C ATOM 416 O GLU A 89 3.950 -4.076 4.229 1.00 0.00 O ATOM 417 CB GLU A 89 4.811 -3.245 7.340 1.00 0.00 C ATOM 418 CG GLU A 89 6.077 -2.910 6.554 1.00 0.00 C ATOM 419 CD GLU A 89 7.280 -2.931 7.498 1.00 0.00 C ATOM 420 OE1 GLU A 89 7.128 -3.418 8.608 1.00 0.00 O ATOM 421 OE2 GLU A 89 8.331 -2.462 7.100 1.00 0.00 O ATOM 0 H GLU A 89 2.524 -3.347 8.249 1.00 0.00 H new ATOM 0 HA GLU A 89 3.580 -2.209 5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.693 -2.550 8.171 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.892 -4.244 7.769 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.220 -3.630 5.749 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.982 -1.928 6.090 1.00 0.00 H new ATOM 428 N LYS A 90 3.372 -5.498 5.797 1.00 0.00 N ATOM 429 CA LYS A 90 3.399 -6.644 4.846 1.00 0.00 C ATOM 430 C LYS A 90 2.330 -6.413 3.771 1.00 0.00 C ATOM 431 O LYS A 90 2.534 -6.692 2.608 1.00 0.00 O ATOM 432 CB LYS A 90 3.100 -7.945 5.626 1.00 0.00 C ATOM 433 CG LYS A 90 4.405 -8.661 5.995 1.00 0.00 C ATOM 434 CD LYS A 90 5.210 -7.794 6.961 1.00 0.00 C ATOM 435 CE LYS A 90 6.524 -8.500 7.299 1.00 0.00 C ATOM 436 NZ LYS A 90 7.343 -7.621 8.179 1.00 0.00 N ATOM 0 H LYS A 90 3.119 -5.738 6.755 1.00 0.00 H new ATOM 0 HA LYS A 90 4.376 -6.729 4.371 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.537 -7.713 6.530 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.475 -8.603 5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.185 -9.626 6.453 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.989 -8.860 5.096 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.411 -6.821 6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.636 -7.614 7.870 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.323 -9.448 7.798 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.072 -8.731 6.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.353 -7.782 7.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.109 -6.625 7.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.140 -7.841 9.175 1.00 0.00 H new ATOM 450 N ALA A 91 1.191 -5.911 4.157 1.00 0.00 N ATOM 451 CA ALA A 91 0.111 -5.669 3.163 1.00 0.00 C ATOM 452 C ALA A 91 0.594 -4.684 2.091 1.00 0.00 C ATOM 453 O ALA A 91 0.403 -4.895 0.910 1.00 0.00 O ATOM 454 CB ALA A 91 -1.103 -5.083 3.885 1.00 0.00 C ATOM 0 H ALA A 91 0.962 -5.658 5.118 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.158 -6.609 2.682 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.901 -4.901 3.166 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.450 -5.786 4.643 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.824 -4.144 4.362 1.00 0.00 H new ATOM 460 N ILE A 92 1.216 -3.610 2.495 1.00 0.00 N ATOM 461 CA ILE A 92 1.710 -2.606 1.507 1.00 0.00 C ATOM 462 C ILE A 92 2.843 -3.209 0.672 1.00 0.00 C ATOM 463 O ILE A 92 2.903 -3.035 -0.528 1.00 0.00 O ATOM 464 CB ILE A 92 2.236 -1.380 2.258 1.00 0.00 C ATOM 465 CG1 ILE A 92 1.158 -0.851 3.213 1.00 0.00 C ATOM 466 CG2 ILE A 92 2.625 -0.285 1.267 1.00 0.00 C ATOM 467 CD1 ILE A 92 -0.138 -0.541 2.456 1.00 0.00 C ATOM 0 H ILE A 92 1.405 -3.383 3.471 1.00 0.00 H new ATOM 0 HA ILE A 92 0.892 -2.317 0.847 1.00 0.00 H new ATOM 0 HB ILE A 92 3.116 -1.670 2.833 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.962 -1.589 3.991 1.00 0.00 H new ATOM 0 HG13 ILE A 92 1.518 0.050 3.711 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.998 0.583 1.811 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.403 -0.657 0.601 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.752 0.002 0.681 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.887 -0.168 3.154 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.057 0.214 1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.507 -1.449 1.980 1.00 0.00 H new ATOM 479 N GLN A 93 3.746 -3.906 1.302 1.00 0.00 N ATOM 480 CA GLN A 93 4.885 -4.513 0.558 1.00 0.00 C ATOM 481 C GLN A 93 4.356 -5.496 -0.489 1.00 0.00 C ATOM 482 O GLN A 93 4.896 -5.617 -1.569 1.00 0.00 O ATOM 483 CB GLN A 93 5.781 -5.260 1.547 1.00 0.00 C ATOM 484 CG GLN A 93 6.520 -4.255 2.435 1.00 0.00 C ATOM 485 CD GLN A 93 7.564 -3.510 1.601 1.00 0.00 C ATOM 486 OE1 GLN A 93 7.619 -2.297 1.622 1.00 0.00 O ATOM 487 NE2 GLN A 93 8.402 -4.191 0.869 1.00 0.00 N ATOM 0 H GLN A 93 3.744 -4.083 2.307 1.00 0.00 H new ATOM 0 HA GLN A 93 5.453 -3.729 0.057 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.180 -5.930 2.162 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.498 -5.879 1.007 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.813 -3.548 2.869 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.003 -4.772 3.264 1.00 0.00 H new ATOM 0 HE21 GLN A 93 8.354 -5.210 0.853 1.00 0.00 H new ATOM 0 HE22 GLN A 93 9.105 -3.705 0.313 1.00 0.00 H new ATOM 496 N HIS A 94 3.307 -6.202 -0.175 1.00 0.00 N ATOM 497 CA HIS A 94 2.745 -7.181 -1.144 1.00 0.00 C ATOM 498 C HIS A 94 2.372 -6.468 -2.448 1.00 0.00 C ATOM 499 O HIS A 94 2.647 -6.948 -3.530 1.00 0.00 O ATOM 500 CB HIS A 94 1.489 -7.810 -0.537 1.00 0.00 C ATOM 501 CG HIS A 94 1.882 -8.729 0.586 1.00 0.00 C ATOM 502 ND1 HIS A 94 3.109 -9.371 0.619 1.00 0.00 N ATOM 503 CD2 HIS A 94 1.221 -9.124 1.721 1.00 0.00 C ATOM 504 CE1 HIS A 94 3.149 -10.112 1.742 1.00 0.00 C ATOM 505 NE2 HIS A 94 2.022 -9.998 2.451 1.00 0.00 N ATOM 0 H HIS A 94 2.813 -6.142 0.715 1.00 0.00 H new ATOM 0 HA HIS A 94 3.487 -7.951 -1.357 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.822 -7.031 -0.168 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.942 -8.364 -1.300 1.00 0.00 H new ATOM 0 HD2 HIS A 94 0.229 -8.805 2.005 1.00 0.00 H new ATOM 0 HE1 HIS A 94 3.989 -10.724 2.034 1.00 0.00 H new ATOM 0 HE2 HIS A 94 1.797 -10.453 3.336 1.00 0.00 H new ATOM 513 N ALA A 95 1.746 -5.330 -2.352 1.00 0.00 N ATOM 514 CA ALA A 95 1.346 -4.584 -3.578 1.00 0.00 C ATOM 515 C ALA A 95 2.592 -4.125 -4.345 1.00 0.00 C ATOM 516 O ALA A 95 2.648 -4.199 -5.556 1.00 0.00 O ATOM 517 CB ALA A 95 0.527 -3.363 -3.163 1.00 0.00 C ATOM 0 H ALA A 95 1.492 -4.881 -1.472 1.00 0.00 H new ATOM 0 HA ALA A 95 0.754 -5.233 -4.223 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.227 -2.807 -4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.361 -3.688 -2.621 1.00 0.00 H new ATOM 0 HB3 ALA A 95 1.130 -2.722 -2.520 1.00 0.00 H new ATOM 523 N ILE A 96 3.586 -3.649 -3.648 1.00 0.00 N ATOM 524 CA ILE A 96 4.830 -3.180 -4.326 1.00 0.00 C ATOM 525 C ILE A 96 5.548 -4.367 -4.975 1.00 0.00 C ATOM 526 O ILE A 96 6.034 -4.277 -6.083 1.00 0.00 O ATOM 527 CB ILE A 96 5.754 -2.535 -3.290 1.00 0.00 C ATOM 528 CG1 ILE A 96 5.000 -1.412 -2.570 1.00 0.00 C ATOM 529 CG2 ILE A 96 6.987 -1.953 -3.991 1.00 0.00 C ATOM 530 CD1 ILE A 96 5.864 -0.872 -1.427 1.00 0.00 C ATOM 0 H ILE A 96 3.591 -3.564 -2.632 1.00 0.00 H new ATOM 0 HA ILE A 96 4.570 -2.453 -5.096 1.00 0.00 H new ATOM 0 HB ILE A 96 6.071 -3.287 -2.567 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.762 -0.611 -3.270 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.053 -1.786 -2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 96 7.643 -1.494 -3.251 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.522 -2.750 -4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 96 6.673 -1.200 -4.714 1.00 0.00 H new ATOM 0 HD11 ILE A 96 5.330 -0.073 -0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.079 -1.676 -0.723 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.799 -0.483 -1.830 1.00 0.00 H new ATOM 542 N GLU A 97 5.632 -5.467 -4.282 1.00 0.00 N ATOM 543 CA GLU A 97 6.331 -6.660 -4.836 1.00 0.00 C ATOM 544 C GLU A 97 5.727 -7.053 -6.187 1.00 0.00 C ATOM 545 O GLU A 97 6.434 -7.303 -7.144 1.00 0.00 O ATOM 546 CB GLU A 97 6.163 -7.819 -3.852 1.00 0.00 C ATOM 547 CG GLU A 97 6.940 -9.041 -4.346 1.00 0.00 C ATOM 548 CD GLU A 97 6.798 -10.173 -3.328 1.00 0.00 C ATOM 549 OE1 GLU A 97 5.956 -10.052 -2.452 1.00 0.00 O ATOM 550 OE2 GLU A 97 7.533 -11.140 -3.439 1.00 0.00 O ATOM 0 H GLU A 97 5.243 -5.592 -3.347 1.00 0.00 H new ATOM 0 HA GLU A 97 7.386 -6.429 -4.980 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.521 -7.524 -2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.107 -8.067 -3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.561 -9.360 -5.317 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.991 -8.788 -4.482 1.00 0.00 H new ATOM 557 N ARG A 98 4.429 -7.117 -6.272 1.00 0.00 N ATOM 558 CA ARG A 98 3.778 -7.507 -7.555 1.00 0.00 C ATOM 559 C ARG A 98 4.044 -6.448 -8.629 1.00 0.00 C ATOM 560 O ARG A 98 4.243 -6.765 -9.785 1.00 0.00 O ATOM 561 CB ARG A 98 2.270 -7.634 -7.330 1.00 0.00 C ATOM 562 CG ARG A 98 1.983 -8.870 -6.474 1.00 0.00 C ATOM 563 CD ARG A 98 0.477 -8.980 -6.229 1.00 0.00 C ATOM 564 NE ARG A 98 0.196 -10.158 -5.356 1.00 0.00 N ATOM 565 CZ ARG A 98 0.051 -11.348 -5.874 1.00 0.00 C ATOM 566 NH1 ARG A 98 0.163 -11.522 -7.163 1.00 0.00 N ATOM 567 NH2 ARG A 98 -0.210 -12.366 -5.100 1.00 0.00 N ATOM 0 H ARG A 98 3.787 -6.915 -5.506 1.00 0.00 H new ATOM 0 HA ARG A 98 4.189 -8.459 -7.890 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.889 -6.740 -6.836 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.754 -7.714 -8.287 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.347 -9.766 -6.976 1.00 0.00 H new ATOM 0 HG3 ARG A 98 2.513 -8.799 -5.524 1.00 0.00 H new ATOM 0 HD2 ARG A 98 0.108 -8.069 -5.758 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.049 -9.084 -7.178 1.00 0.00 H new ATOM 0 HE ARG A 98 0.117 -10.032 -4.347 1.00 0.00 H new ATOM 0 HH11 ARG A 98 0.364 -10.727 -7.769 1.00 0.00 H new ATOM 0 HH12 ARG A 98 0.049 -12.453 -7.564 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -0.300 -12.231 -4.093 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -0.324 -13.296 -5.502 1.00 0.00 H new ATOM 581 N PHE A 99 4.037 -5.193 -8.259 1.00 0.00 N ATOM 582 CA PHE A 99 4.276 -4.100 -9.255 1.00 0.00 C ATOM 583 C PHE A 99 5.700 -3.561 -9.089 1.00 0.00 C ATOM 584 O PHE A 99 6.025 -2.483 -9.546 1.00 0.00 O ATOM 585 CB PHE A 99 3.261 -2.975 -9.019 1.00 0.00 C ATOM 586 CG PHE A 99 1.878 -3.571 -8.828 1.00 0.00 C ATOM 587 CD1 PHE A 99 1.337 -4.429 -9.800 1.00 0.00 C ATOM 588 CD2 PHE A 99 1.135 -3.270 -7.677 1.00 0.00 C ATOM 589 CE1 PHE A 99 0.061 -4.979 -9.618 1.00 0.00 C ATOM 590 CE2 PHE A 99 -0.139 -3.823 -7.498 1.00 0.00 C ATOM 591 CZ PHE A 99 -0.675 -4.676 -8.467 1.00 0.00 C ATOM 0 H PHE A 99 3.875 -4.874 -7.304 1.00 0.00 H new ATOM 0 HA PHE A 99 4.158 -4.488 -10.267 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.543 -2.395 -8.140 1.00 0.00 H new ATOM 0 HB3 PHE A 99 3.259 -2.289 -9.866 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.905 -4.665 -10.688 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.546 -2.610 -6.927 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.355 -5.637 -10.367 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.708 -3.590 -6.610 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.658 -5.101 -8.327 1.00 0.00 H new ATOM 601 N ASN A 100 6.554 -4.310 -8.446 1.00 0.00 N ATOM 602 CA ASN A 100 7.961 -3.858 -8.256 1.00 0.00 C ATOM 603 C ASN A 100 8.645 -3.746 -9.616 1.00 0.00 C ATOM 604 O ASN A 100 9.400 -2.831 -9.871 1.00 0.00 O ATOM 605 CB ASN A 100 8.707 -4.879 -7.395 1.00 0.00 C ATOM 606 CG ASN A 100 10.186 -4.498 -7.299 1.00 0.00 C ATOM 607 OD1 ASN A 100 10.971 -4.853 -8.154 1.00 0.00 O ATOM 608 ND2 ASN A 100 10.600 -3.793 -6.283 1.00 0.00 N ATOM 0 H ASN A 100 6.336 -5.221 -8.042 1.00 0.00 H new ATOM 0 HA ASN A 100 7.970 -2.886 -7.763 1.00 0.00 H new ATOM 0 HB2 ASN A 100 8.267 -4.918 -6.398 1.00 0.00 H new ATOM 0 HB3 ASN A 100 8.606 -5.875 -7.827 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.585 -3.539 -6.206 1.00 0.00 H new ATOM 0 HD22 ASN A 100 9.939 -3.496 -5.565 1.00 0.00 H new ATOM 615 N THR A 101 8.388 -4.678 -10.494 1.00 0.00 N ATOM 616 CA THR A 101 9.025 -4.631 -11.839 1.00 0.00 C ATOM 617 C THR A 101 8.203 -3.737 -12.763 1.00 0.00 C ATOM 618 O THR A 101 8.653 -3.360 -13.826 1.00 0.00 O ATOM 619 CB THR A 101 9.068 -6.043 -12.427 1.00 0.00 C ATOM 620 OG1 THR A 101 7.741 -6.536 -12.558 1.00 0.00 O ATOM 621 CG2 THR A 101 9.866 -6.964 -11.504 1.00 0.00 C ATOM 0 H THR A 101 7.764 -5.470 -10.337 1.00 0.00 H new ATOM 0 HA THR A 101 10.036 -4.234 -11.746 1.00 0.00 H new ATOM 0 HB THR A 101 9.548 -6.014 -13.405 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.764 -7.440 -12.936 1.00 0.00 H new ATOM 0 HG21 THR A 101 9.894 -7.968 -11.927 1.00 0.00 H new ATOM 0 HG22 THR A 101 10.883 -6.585 -11.402 1.00 0.00 H new ATOM 0 HG23 THR A 101 9.391 -6.997 -10.523 1.00 0.00 H new ATOM 629 N LYS A 102 6.996 -3.397 -12.372 1.00 0.00 N ATOM 630 CA LYS A 102 6.136 -2.525 -13.234 1.00 0.00 C ATOM 631 C LYS A 102 6.037 -1.118 -12.618 1.00 0.00 C ATOM 632 O LYS A 102 6.005 -0.972 -11.411 1.00 0.00 O ATOM 633 CB LYS A 102 4.732 -3.123 -13.324 1.00 0.00 C ATOM 634 CG LYS A 102 4.834 -4.621 -13.604 1.00 0.00 C ATOM 635 CD LYS A 102 3.440 -5.178 -13.893 1.00 0.00 C ATOM 636 CE LYS A 102 3.542 -6.672 -14.196 1.00 0.00 C ATOM 637 NZ LYS A 102 4.588 -6.899 -15.233 1.00 0.00 N ATOM 0 H LYS A 102 6.570 -3.687 -11.492 1.00 0.00 H new ATOM 0 HA LYS A 102 6.579 -2.461 -14.228 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.192 -2.952 -12.393 1.00 0.00 H new ATOM 0 HB3 LYS A 102 4.166 -2.632 -14.115 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.493 -4.800 -14.454 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.272 -5.133 -12.748 1.00 0.00 H new ATOM 0 HD2 LYS A 102 2.786 -5.013 -13.037 1.00 0.00 H new ATOM 0 HD3 LYS A 102 2.995 -4.654 -14.739 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.790 -7.222 -13.288 1.00 0.00 H new ATOM 0 HE3 LYS A 102 2.581 -7.049 -14.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.437 -7.825 -15.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.531 -6.151 -15.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.528 -6.880 -14.788 1.00 0.00 H new ATOM 651 N PRO A 103 5.975 -0.089 -13.433 1.00 0.00 N ATOM 652 CA PRO A 103 5.859 1.316 -12.941 1.00 0.00 C ATOM 653 C PRO A 103 4.476 1.604 -12.339 1.00 0.00 C ATOM 654 O PRO A 103 3.513 0.916 -12.610 1.00 0.00 O ATOM 655 CB PRO A 103 6.107 2.167 -14.197 1.00 0.00 C ATOM 656 CG PRO A 103 5.707 1.292 -15.342 1.00 0.00 C ATOM 657 CD PRO A 103 6.008 -0.144 -14.908 1.00 0.00 C ATOM 0 HA PRO A 103 6.564 1.529 -12.137 1.00 0.00 H new ATOM 0 HB2 PRO A 103 5.517 3.083 -14.176 1.00 0.00 H new ATOM 0 HB3 PRO A 103 7.153 2.463 -14.273 1.00 0.00 H new ATOM 0 HG2 PRO A 103 4.649 1.415 -15.574 1.00 0.00 H new ATOM 0 HG3 PRO A 103 6.263 1.551 -16.243 1.00 0.00 H new ATOM 0 HD2 PRO A 103 5.267 -0.842 -15.298 1.00 0.00 H new ATOM 0 HD3 PRO A 103 6.980 -0.475 -15.273 1.00 0.00 H new ATOM 665 N ILE A 104 4.375 2.622 -11.530 1.00 0.00 N ATOM 666 CA ILE A 104 3.064 2.968 -10.911 1.00 0.00 C ATOM 667 C ILE A 104 2.080 3.397 -12.005 1.00 0.00 C ATOM 668 O ILE A 104 0.880 3.326 -11.835 1.00 0.00 O ATOM 669 CB ILE A 104 3.270 4.123 -9.922 1.00 0.00 C ATOM 670 CG1 ILE A 104 4.059 3.614 -8.708 1.00 0.00 C ATOM 671 CG2 ILE A 104 1.914 4.676 -9.476 1.00 0.00 C ATOM 672 CD1 ILE A 104 4.494 4.796 -7.838 1.00 0.00 C ATOM 0 H ILE A 104 5.149 3.233 -11.269 1.00 0.00 H new ATOM 0 HA ILE A 104 2.661 2.101 -10.386 1.00 0.00 H new ATOM 0 HB ILE A 104 3.830 4.923 -10.406 1.00 0.00 H new ATOM 0 HG12 ILE A 104 3.444 2.929 -8.125 1.00 0.00 H new ATOM 0 HG13 ILE A 104 4.933 3.054 -9.040 1.00 0.00 H new ATOM 0 HG21 ILE A 104 2.068 5.496 -8.774 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.366 5.041 -10.345 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.341 3.886 -8.991 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.054 4.428 -6.978 1.00 0.00 H new ATOM 0 HD12 ILE A 104 5.125 5.465 -8.423 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.613 5.338 -7.493 1.00 0.00 H new ATOM 684 N GLN A 105 2.579 3.859 -13.114 1.00 0.00 N ATOM 685 CA GLN A 105 1.678 4.313 -14.205 1.00 0.00 C ATOM 686 C GLN A 105 0.892 3.127 -14.773 1.00 0.00 C ATOM 687 O GLN A 105 -0.108 3.300 -15.438 1.00 0.00 O ATOM 688 CB GLN A 105 2.514 4.947 -15.315 1.00 0.00 C ATOM 689 CG GLN A 105 1.594 5.725 -16.255 1.00 0.00 C ATOM 690 CD GLN A 105 2.428 6.401 -17.345 1.00 0.00 C ATOM 691 OE1 GLN A 105 3.624 6.556 -17.201 1.00 0.00 O ATOM 692 NE2 GLN A 105 1.842 6.812 -18.437 1.00 0.00 N ATOM 0 H GLN A 105 3.576 3.942 -13.313 1.00 0.00 H new ATOM 0 HA GLN A 105 0.974 5.043 -13.806 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.264 5.613 -14.887 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.051 4.176 -15.868 1.00 0.00 H new ATOM 0 HG2 GLN A 105 0.865 5.052 -16.706 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.034 6.474 -15.695 1.00 0.00 H new ATOM 0 HE21 GLN A 105 0.838 6.681 -18.557 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.389 7.264 -19.170 1.00 0.00 H new ATOM 701 N THR A 106 1.330 1.921 -14.520 1.00 0.00 N ATOM 702 CA THR A 106 0.598 0.733 -15.055 1.00 0.00 C ATOM 703 C THR A 106 -0.445 0.273 -14.035 1.00 0.00 C ATOM 704 O THR A 106 -1.207 -0.637 -14.286 1.00 0.00 O ATOM 705 CB THR A 106 1.592 -0.406 -15.313 1.00 0.00 C ATOM 706 OG1 THR A 106 2.473 -0.521 -14.204 1.00 0.00 O ATOM 707 CG2 THR A 106 2.396 -0.116 -16.584 1.00 0.00 C ATOM 0 H THR A 106 2.160 1.707 -13.968 1.00 0.00 H new ATOM 0 HA THR A 106 0.102 1.003 -15.987 1.00 0.00 H new ATOM 0 HB THR A 106 1.047 -1.341 -15.444 1.00 0.00 H new ATOM 0 HG1 THR A 106 3.053 0.268 -14.164 1.00 0.00 H new ATOM 0 HG21 THR A 106 3.100 -0.928 -16.762 1.00 0.00 H new ATOM 0 HG22 THR A 106 1.717 -0.032 -17.433 1.00 0.00 H new ATOM 0 HG23 THR A 106 2.943 0.819 -16.463 1.00 0.00 H new ATOM 715 N ILE A 107 -0.498 0.900 -12.889 1.00 0.00 N ATOM 716 CA ILE A 107 -1.508 0.496 -11.866 1.00 0.00 C ATOM 717 C ILE A 107 -2.822 1.225 -12.143 1.00 0.00 C ATOM 718 O ILE A 107 -2.871 2.437 -12.175 1.00 0.00 O ATOM 719 CB ILE A 107 -1.001 0.860 -10.470 1.00 0.00 C ATOM 720 CG1 ILE A 107 0.240 0.018 -10.157 1.00 0.00 C ATOM 721 CG2 ILE A 107 -2.094 0.571 -9.436 1.00 0.00 C ATOM 722 CD1 ILE A 107 0.889 0.505 -8.859 1.00 0.00 C ATOM 0 H ILE A 107 0.112 1.671 -12.618 1.00 0.00 H new ATOM 0 HA ILE A 107 -1.670 -0.581 -11.917 1.00 0.00 H new ATOM 0 HB ILE A 107 -0.746 1.919 -10.433 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.037 -1.032 -10.063 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.953 0.087 -10.978 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.732 0.831 -8.441 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.979 1.164 -9.666 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.350 -0.488 -9.464 1.00 0.00 H new ATOM 0 HD11 ILE A 107 1.770 -0.099 -8.644 1.00 0.00 H new ATOM 0 HD12 ILE A 107 1.182 1.549 -8.968 1.00 0.00 H new ATOM 0 HD13 ILE A 107 0.177 0.412 -8.039 1.00 0.00 H new ATOM 734 N LYS A 108 -3.887 0.488 -12.353 1.00 0.00 N ATOM 735 CA LYS A 108 -5.215 1.116 -12.644 1.00 0.00 C ATOM 736 C LYS A 108 -6.210 0.773 -11.534 1.00 0.00 C ATOM 737 O LYS A 108 -5.858 0.204 -10.521 1.00 0.00 O ATOM 738 CB LYS A 108 -5.737 0.571 -13.971 1.00 0.00 C ATOM 739 CG LYS A 108 -4.825 1.035 -15.106 1.00 0.00 C ATOM 740 CD LYS A 108 -5.373 0.523 -16.442 1.00 0.00 C ATOM 741 CE LYS A 108 -5.364 -1.016 -16.466 1.00 0.00 C ATOM 742 NZ LYS A 108 -6.679 -1.519 -15.976 1.00 0.00 N ATOM 0 H LYS A 108 -3.892 -0.532 -12.335 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.101 2.199 -12.699 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.772 -0.518 -13.941 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -6.756 0.918 -14.144 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.766 2.123 -15.118 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.813 0.663 -14.949 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -6.388 0.890 -16.592 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.770 0.910 -17.263 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -5.177 -1.375 -17.478 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -4.558 -1.397 -15.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -6.531 -2.122 -15.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -7.285 -0.714 -15.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -7.140 -2.073 -16.726 1.00 0.00 H new ATOM 756 N LYS A 109 -7.453 1.117 -11.727 1.00 0.00 N ATOM 757 CA LYS A 109 -8.491 0.820 -10.700 1.00 0.00 C ATOM 758 C LYS A 109 -8.635 -0.695 -10.530 1.00 0.00 C ATOM 759 O LYS A 109 -8.770 -1.195 -9.432 1.00 0.00 O ATOM 760 CB LYS A 109 -9.825 1.407 -11.160 1.00 0.00 C ATOM 761 CG LYS A 109 -9.744 2.936 -11.140 1.00 0.00 C ATOM 762 CD LYS A 109 -11.043 3.537 -11.695 1.00 0.00 C ATOM 763 CE LYS A 109 -12.154 3.477 -10.637 1.00 0.00 C ATOM 764 NZ LYS A 109 -13.323 4.278 -11.098 1.00 0.00 N ATOM 0 H LYS A 109 -7.797 1.595 -12.560 1.00 0.00 H new ATOM 0 HA LYS A 109 -8.198 1.260 -9.747 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -10.061 1.058 -12.165 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -10.629 1.066 -10.507 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -9.577 3.286 -10.121 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -8.895 3.271 -11.735 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -10.874 4.571 -11.996 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -11.352 2.992 -12.587 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -12.453 2.443 -10.466 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -11.787 3.864 -9.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -14.076 4.238 -10.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -13.032 5.267 -11.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -13.678 3.890 -11.995 1.00 0.00 H new ATOM 778 N HIS A 110 -8.613 -1.430 -11.608 1.00 0.00 N ATOM 779 CA HIS A 110 -8.752 -2.909 -11.508 1.00 0.00 C ATOM 780 C HIS A 110 -7.599 -3.471 -10.676 1.00 0.00 C ATOM 781 O HIS A 110 -7.798 -4.261 -9.774 1.00 0.00 O ATOM 782 CB HIS A 110 -8.709 -3.507 -12.915 1.00 0.00 C ATOM 783 CG HIS A 110 -8.859 -5.000 -12.839 1.00 0.00 C ATOM 784 ND1 HIS A 110 -10.070 -5.610 -12.548 1.00 0.00 N ATOM 785 CD2 HIS A 110 -7.962 -6.022 -13.026 1.00 0.00 C ATOM 786 CE1 HIS A 110 -9.869 -6.939 -12.566 1.00 0.00 C ATOM 787 NE2 HIS A 110 -8.600 -7.244 -12.853 1.00 0.00 N ATOM 0 H HIS A 110 -8.504 -1.068 -12.556 1.00 0.00 H new ATOM 0 HA HIS A 110 -9.698 -3.163 -11.029 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -9.507 -3.083 -13.525 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -7.767 -3.251 -13.400 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -6.918 -5.895 -13.271 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -10.639 -7.671 -12.372 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -8.188 -8.174 -12.929 1.00 0.00 H new ATOM 795 N ASP A 111 -6.395 -3.062 -10.966 1.00 0.00 N ATOM 796 CA ASP A 111 -5.228 -3.562 -10.189 1.00 0.00 C ATOM 797 C ASP A 111 -5.357 -3.106 -8.732 1.00 0.00 C ATOM 798 O ASP A 111 -5.132 -3.862 -7.809 1.00 0.00 O ATOM 799 CB ASP A 111 -3.945 -2.979 -10.783 1.00 0.00 C ATOM 800 CG ASP A 111 -3.657 -3.634 -12.136 1.00 0.00 C ATOM 801 OD1 ASP A 111 -4.305 -4.621 -12.446 1.00 0.00 O ATOM 802 OD2 ASP A 111 -2.791 -3.138 -12.836 1.00 0.00 O ATOM 0 H ASP A 111 -6.169 -2.401 -11.710 1.00 0.00 H new ATOM 0 HA ASP A 111 -5.197 -4.651 -10.233 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -4.047 -1.901 -10.905 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -3.110 -3.145 -10.103 1.00 0.00 H new ATOM 807 N TYR A 112 -5.720 -1.870 -8.527 1.00 0.00 N ATOM 808 CA TYR A 112 -5.871 -1.344 -7.143 1.00 0.00 C ATOM 809 C TYR A 112 -6.984 -2.108 -6.424 1.00 0.00 C ATOM 810 O TYR A 112 -6.854 -2.486 -5.278 1.00 0.00 O ATOM 811 CB TYR A 112 -6.231 0.141 -7.212 1.00 0.00 C ATOM 812 CG TYR A 112 -6.464 0.677 -5.818 1.00 0.00 C ATOM 813 CD1 TYR A 112 -5.372 0.979 -4.998 1.00 0.00 C ATOM 814 CD2 TYR A 112 -7.768 0.878 -5.349 1.00 0.00 C ATOM 815 CE1 TYR A 112 -5.580 1.480 -3.709 1.00 0.00 C ATOM 816 CE2 TYR A 112 -7.975 1.382 -4.058 1.00 0.00 C ATOM 817 CZ TYR A 112 -6.882 1.682 -3.240 1.00 0.00 C ATOM 818 OH TYR A 112 -7.089 2.180 -1.968 1.00 0.00 O ATOM 0 H TYR A 112 -5.920 -1.197 -9.267 1.00 0.00 H new ATOM 0 HA TYR A 112 -4.937 -1.472 -6.596 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -5.428 0.697 -7.696 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -7.126 0.280 -7.819 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -4.366 0.825 -5.361 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -8.612 0.645 -5.981 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -4.736 1.711 -3.076 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -8.980 1.539 -3.695 1.00 0.00 H new ATOM 0 HH TYR A 112 -6.991 3.155 -1.978 1.00 0.00 H new ATOM 828 N GLN A 113 -8.080 -2.331 -7.095 1.00 0.00 N ATOM 829 CA GLN A 113 -9.213 -3.064 -6.466 1.00 0.00 C ATOM 830 C GLN A 113 -8.783 -4.498 -6.145 1.00 0.00 C ATOM 831 O GLN A 113 -9.159 -5.056 -5.134 1.00 0.00 O ATOM 832 CB GLN A 113 -10.394 -3.088 -7.440 1.00 0.00 C ATOM 833 CG GLN A 113 -11.628 -3.680 -6.753 1.00 0.00 C ATOM 834 CD GLN A 113 -12.089 -2.752 -5.625 1.00 0.00 C ATOM 835 OE1 GLN A 113 -12.811 -3.167 -4.741 1.00 0.00 O ATOM 836 NE2 GLN A 113 -11.698 -1.507 -5.616 1.00 0.00 N ATOM 0 H GLN A 113 -8.240 -2.035 -8.058 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.507 -2.564 -5.543 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -10.610 -2.078 -7.787 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -10.139 -3.679 -8.320 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -12.431 -3.813 -7.478 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -11.394 -4.666 -6.352 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -11.092 -1.158 -6.358 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -11.999 -0.883 -4.867 1.00 0.00 H new ATOM 845 N ARG A 114 -7.995 -5.099 -6.996 1.00 0.00 N ATOM 846 CA ARG A 114 -7.539 -6.495 -6.737 1.00 0.00 C ATOM 847 C ARG A 114 -6.748 -6.526 -5.428 1.00 0.00 C ATOM 848 O ARG A 114 -6.913 -7.408 -4.609 1.00 0.00 O ATOM 849 CB ARG A 114 -6.642 -6.958 -7.891 1.00 0.00 C ATOM 850 CG ARG A 114 -6.246 -8.422 -7.680 1.00 0.00 C ATOM 851 CD ARG A 114 -5.403 -8.909 -8.863 1.00 0.00 C ATOM 852 NE ARG A 114 -4.107 -8.171 -8.890 1.00 0.00 N ATOM 853 CZ ARG A 114 -3.260 -8.362 -9.867 1.00 0.00 C ATOM 854 NH1 ARG A 114 -3.535 -9.209 -10.822 1.00 0.00 N ATOM 855 NH2 ARG A 114 -2.129 -7.709 -9.884 1.00 0.00 N ATOM 0 H ARG A 114 -7.647 -4.683 -7.860 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.400 -7.159 -6.661 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -7.167 -6.846 -8.840 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -5.750 -6.334 -7.944 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -5.682 -8.525 -6.753 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -7.139 -9.039 -7.580 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -5.221 -9.980 -8.777 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -5.943 -8.751 -9.797 1.00 0.00 H new ATOM 0 HE ARG A 114 -3.881 -7.514 -8.143 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -4.414 -9.725 -10.808 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -2.870 -9.354 -11.582 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.908 -7.052 -9.136 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -1.466 -7.856 -10.645 1.00 0.00 H new ATOM 869 N PHE A 115 -5.900 -5.559 -5.226 1.00 0.00 N ATOM 870 CA PHE A 115 -5.097 -5.505 -3.975 1.00 0.00 C ATOM 871 C PHE A 115 -6.033 -5.390 -2.770 1.00 0.00 C ATOM 872 O PHE A 115 -5.846 -6.044 -1.767 1.00 0.00 O ATOM 873 CB PHE A 115 -4.175 -4.283 -4.027 1.00 0.00 C ATOM 874 CG PHE A 115 -3.464 -4.120 -2.700 1.00 0.00 C ATOM 875 CD1 PHE A 115 -2.569 -5.104 -2.261 1.00 0.00 C ATOM 876 CD2 PHE A 115 -3.696 -2.984 -1.912 1.00 0.00 C ATOM 877 CE1 PHE A 115 -1.909 -4.952 -1.036 1.00 0.00 C ATOM 878 CE2 PHE A 115 -3.036 -2.834 -0.688 1.00 0.00 C ATOM 879 CZ PHE A 115 -2.143 -3.817 -0.250 1.00 0.00 C ATOM 0 H PHE A 115 -5.727 -4.796 -5.881 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.501 -6.413 -3.880 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -3.446 -4.400 -4.829 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -4.755 -3.388 -4.252 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.388 -5.979 -2.867 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -4.385 -2.224 -2.250 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.219 -5.710 -0.697 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.216 -1.959 -0.081 1.00 0.00 H new ATOM 0 HZ PHE A 115 -1.633 -3.701 0.695 1.00 0.00 H new ATOM 889 N VAL A 116 -7.031 -4.554 -2.863 1.00 0.00 N ATOM 890 CA VAL A 116 -7.978 -4.376 -1.724 1.00 0.00 C ATOM 891 C VAL A 116 -8.661 -5.710 -1.402 1.00 0.00 C ATOM 892 O VAL A 116 -8.765 -6.105 -0.258 1.00 0.00 O ATOM 893 CB VAL A 116 -9.041 -3.351 -2.126 1.00 0.00 C ATOM 894 CG1 VAL A 116 -10.079 -3.222 -1.012 1.00 0.00 C ATOM 895 CG2 VAL A 116 -8.377 -1.992 -2.369 1.00 0.00 C ATOM 0 H VAL A 116 -7.233 -3.983 -3.684 1.00 0.00 H new ATOM 0 HA VAL A 116 -7.434 -4.031 -0.845 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.533 -3.682 -3.040 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -10.834 -2.491 -1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -10.554 -4.188 -0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -9.590 -2.894 -0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -9.135 -1.263 -2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -7.881 -1.661 -1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -7.642 -2.084 -3.168 1.00 0.00 H new ATOM 905 N ASP A 117 -9.126 -6.403 -2.403 1.00 0.00 N ATOM 906 CA ASP A 117 -9.801 -7.712 -2.170 1.00 0.00 C ATOM 907 C ASP A 117 -8.790 -8.731 -1.631 1.00 0.00 C ATOM 908 O ASP A 117 -9.110 -9.565 -0.810 1.00 0.00 O ATOM 909 CB ASP A 117 -10.376 -8.213 -3.496 1.00 0.00 C ATOM 910 CG ASP A 117 -11.270 -9.429 -3.250 1.00 0.00 C ATOM 911 OD1 ASP A 117 -11.129 -10.039 -2.202 1.00 0.00 O ATOM 912 OD2 ASP A 117 -12.078 -9.729 -4.111 1.00 0.00 O ATOM 0 H ASP A 117 -9.067 -6.117 -3.380 1.00 0.00 H new ATOM 0 HA ASP A 117 -10.601 -7.588 -1.440 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -10.950 -7.420 -3.976 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -9.567 -8.478 -4.176 1.00 0.00 H new ATOM 917 N ASP A 118 -7.575 -8.672 -2.103 1.00 0.00 N ATOM 918 CA ASP A 118 -6.533 -9.635 -1.643 1.00 0.00 C ATOM 919 C ASP A 118 -6.282 -9.477 -0.140 1.00 0.00 C ATOM 920 O ASP A 118 -6.230 -10.446 0.591 1.00 0.00 O ATOM 921 CB ASP A 118 -5.237 -9.349 -2.404 1.00 0.00 C ATOM 922 CG ASP A 118 -4.219 -10.454 -2.129 1.00 0.00 C ATOM 923 OD1 ASP A 118 -4.565 -11.611 -2.304 1.00 0.00 O ATOM 924 OD2 ASP A 118 -3.108 -10.125 -1.747 1.00 0.00 O ATOM 0 H ASP A 118 -7.256 -7.992 -2.794 1.00 0.00 H new ATOM 0 HA ASP A 118 -6.873 -10.653 -1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -5.439 -9.286 -3.473 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -4.831 -8.384 -2.099 1.00 0.00 H new ATOM 929 N ILE A 119 -6.123 -8.268 0.330 1.00 0.00 N ATOM 930 CA ILE A 119 -5.871 -8.063 1.785 1.00 0.00 C ATOM 931 C ILE A 119 -7.150 -8.351 2.572 1.00 0.00 C ATOM 932 O ILE A 119 -7.113 -8.716 3.728 1.00 0.00 O ATOM 933 CB ILE A 119 -5.420 -6.617 2.024 1.00 0.00 C ATOM 934 CG1 ILE A 119 -6.482 -5.647 1.498 1.00 0.00 C ATOM 935 CG2 ILE A 119 -4.099 -6.374 1.290 1.00 0.00 C ATOM 936 CD1 ILE A 119 -6.098 -4.216 1.873 1.00 0.00 C ATOM 0 H ILE A 119 -6.157 -7.416 -0.230 1.00 0.00 H new ATOM 0 HA ILE A 119 -5.088 -8.742 2.121 1.00 0.00 H new ATOM 0 HB ILE A 119 -5.284 -6.452 3.093 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -6.569 -5.739 0.415 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -7.456 -5.895 1.919 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -3.774 -5.347 1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -3.341 -7.060 1.668 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -4.240 -6.541 0.222 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -6.854 -3.526 1.498 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -6.033 -4.129 2.958 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -5.132 -3.971 1.431 1.00 0.00 H new ATOM 948 N SER A 120 -8.281 -8.194 1.944 1.00 0.00 N ATOM 949 CA SER A 120 -9.568 -8.460 2.641 1.00 0.00 C ATOM 950 C SER A 120 -9.644 -9.939 3.020 1.00 0.00 C ATOM 951 O SER A 120 -10.084 -10.295 4.094 1.00 0.00 O ATOM 952 CB SER A 120 -10.727 -8.109 1.706 1.00 0.00 C ATOM 953 OG SER A 120 -11.957 -8.321 2.383 1.00 0.00 O ATOM 0 H SER A 120 -8.369 -7.892 0.974 1.00 0.00 H new ATOM 0 HA SER A 120 -9.631 -7.853 3.544 1.00 0.00 H new ATOM 0 HB2 SER A 120 -10.649 -7.070 1.386 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.683 -8.724 0.807 1.00 0.00 H new ATOM 0 HG SER A 120 -12.702 -8.095 1.787 1.00 0.00 H new ATOM 959 N ALA A 121 -9.222 -10.802 2.138 1.00 0.00 N ATOM 960 CA ALA A 121 -9.270 -12.259 2.431 1.00 0.00 C ATOM 961 C ALA A 121 -8.114 -12.639 3.361 1.00 0.00 C ATOM 962 O ALA A 121 -8.057 -13.740 3.871 1.00 0.00 O ATOM 963 CB ALA A 121 -9.142 -13.034 1.121 1.00 0.00 C ATOM 0 H ALA A 121 -8.844 -10.558 1.223 1.00 0.00 H new ATOM 0 HA ALA A 121 -10.215 -12.502 2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -9.176 -14.104 1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -9.964 -12.765 0.458 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -8.194 -12.786 0.643 1.00 0.00 H new ATOM 969 N GLN A 122 -7.196 -11.733 3.586 1.00 0.00 N ATOM 970 CA GLN A 122 -6.035 -12.020 4.486 1.00 0.00 C ATOM 971 C GLN A 122 -6.161 -11.171 5.751 1.00 0.00 C ATOM 972 O GLN A 122 -5.537 -11.447 6.754 1.00 0.00 O ATOM 973 CB GLN A 122 -4.731 -11.660 3.766 1.00 0.00 C ATOM 974 CG GLN A 122 -4.509 -12.624 2.598 1.00 0.00 C ATOM 975 CD GLN A 122 -3.213 -12.261 1.870 1.00 0.00 C ATOM 976 OE1 GLN A 122 -2.717 -13.033 1.073 1.00 0.00 O ATOM 977 NE2 GLN A 122 -2.638 -11.115 2.111 1.00 0.00 N ATOM 0 H GLN A 122 -7.201 -10.797 3.181 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.027 -13.078 4.748 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -4.776 -10.634 3.401 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -3.893 -11.714 4.461 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -4.457 -13.649 2.965 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -5.351 -12.575 1.908 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -3.054 -10.467 2.780 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -1.773 -10.867 1.631 1.00 0.00 H new ATOM 986 N TYR A 123 -6.960 -10.132 5.703 1.00 0.00 N ATOM 987 CA TYR A 123 -7.132 -9.246 6.898 1.00 0.00 C ATOM 988 C TYR A 123 -8.615 -8.929 7.111 1.00 0.00 C ATOM 989 O TYR A 123 -9.417 -8.998 6.202 1.00 0.00 O ATOM 990 CB TYR A 123 -6.359 -7.948 6.674 1.00 0.00 C ATOM 991 CG TYR A 123 -4.884 -8.253 6.597 1.00 0.00 C ATOM 992 CD1 TYR A 123 -4.134 -8.384 7.771 1.00 0.00 C ATOM 993 CD2 TYR A 123 -4.265 -8.401 5.351 1.00 0.00 C ATOM 994 CE1 TYR A 123 -2.765 -8.663 7.700 1.00 0.00 C ATOM 995 CE2 TYR A 123 -2.894 -8.681 5.279 1.00 0.00 C ATOM 996 CZ TYR A 123 -2.145 -8.810 6.454 1.00 0.00 C ATOM 997 OH TYR A 123 -0.795 -9.085 6.385 1.00 0.00 O ATOM 0 H TYR A 123 -7.503 -9.858 4.884 1.00 0.00 H new ATOM 0 HA TYR A 123 -6.751 -9.757 7.782 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -6.691 -7.468 5.754 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -6.556 -7.249 7.487 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -4.612 -8.270 8.733 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -4.844 -8.299 4.445 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -2.187 -8.765 8.606 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -2.416 -8.797 4.318 1.00 0.00 H new ATOM 0 HH TYR A 123 -0.523 -9.157 5.446 1.00 0.00 H new ATOM 1007 N SER A 124 -8.978 -8.589 8.318 1.00 0.00 N ATOM 1008 CA SER A 124 -10.402 -8.274 8.623 1.00 0.00 C ATOM 1009 C SER A 124 -10.789 -6.922 8.012 1.00 0.00 C ATOM 1010 O SER A 124 -9.947 -6.149 7.607 1.00 0.00 O ATOM 1011 CB SER A 124 -10.586 -8.218 10.138 1.00 0.00 C ATOM 1012 OG SER A 124 -9.964 -9.352 10.727 1.00 0.00 O ATOM 0 H SER A 124 -8.343 -8.516 9.113 1.00 0.00 H new ATOM 0 HA SER A 124 -11.040 -9.048 8.197 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.150 -7.302 10.536 1.00 0.00 H new ATOM 0 HB3 SER A 124 -11.647 -8.200 10.387 1.00 0.00 H new ATOM 0 HG SER A 124 -10.078 -9.319 11.700 1.00 0.00 H new ATOM 1018 N LYS A 125 -12.061 -6.636 7.948 1.00 0.00 N ATOM 1019 CA LYS A 125 -12.521 -5.342 7.364 1.00 0.00 C ATOM 1020 C LYS A 125 -11.918 -4.175 8.152 1.00 0.00 C ATOM 1021 O LYS A 125 -11.540 -3.165 7.594 1.00 0.00 O ATOM 1022 CB LYS A 125 -14.047 -5.270 7.456 1.00 0.00 C ATOM 1023 CG LYS A 125 -14.545 -4.014 6.741 1.00 0.00 C ATOM 1024 CD LYS A 125 -16.074 -3.969 6.784 1.00 0.00 C ATOM 1025 CE LYS A 125 -16.565 -2.719 6.050 1.00 0.00 C ATOM 1026 NZ LYS A 125 -18.055 -2.677 6.075 1.00 0.00 N ATOM 0 H LYS A 125 -12.808 -7.248 8.278 1.00 0.00 H new ATOM 0 HA LYS A 125 -12.203 -5.279 6.323 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -14.491 -6.158 7.005 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -14.358 -5.254 8.501 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -14.132 -3.125 7.217 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -14.200 -4.011 5.707 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -16.489 -4.864 6.320 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -16.420 -3.957 7.818 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -16.158 -1.825 6.522 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -16.209 -2.726 5.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -18.387 -1.827 5.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -18.434 -3.524 5.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -18.385 -2.650 7.061 1.00 0.00 H new ATOM 1040 N ASN A 126 -11.834 -4.305 9.444 1.00 0.00 N ATOM 1041 CA ASN A 126 -11.268 -3.207 10.276 1.00 0.00 C ATOM 1042 C ASN A 126 -9.810 -2.945 9.883 1.00 0.00 C ATOM 1043 O ASN A 126 -9.382 -1.813 9.773 1.00 0.00 O ATOM 1044 CB ASN A 126 -11.327 -3.635 11.743 1.00 0.00 C ATOM 1045 CG ASN A 126 -10.683 -2.563 12.622 1.00 0.00 C ATOM 1046 OD1 ASN A 126 -9.478 -2.524 12.763 1.00 0.00 O ATOM 1047 ND2 ASN A 126 -11.440 -1.691 13.225 1.00 0.00 N ATOM 0 H ASN A 126 -12.135 -5.129 9.964 1.00 0.00 H new ATOM 0 HA ASN A 126 -11.843 -2.294 10.120 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -12.363 -3.791 12.044 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -10.810 -4.585 11.875 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -11.020 -0.974 13.817 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -12.452 -1.725 13.105 1.00 0.00 H new ATOM 1054 N TYR A 127 -9.047 -3.980 9.672 1.00 0.00 N ATOM 1055 CA TYR A 127 -7.619 -3.799 9.285 1.00 0.00 C ATOM 1056 C TYR A 127 -7.528 -3.321 7.831 1.00 0.00 C ATOM 1057 O TYR A 127 -6.618 -2.611 7.456 1.00 0.00 O ATOM 1058 CB TYR A 127 -6.888 -5.138 9.443 1.00 0.00 C ATOM 1059 CG TYR A 127 -6.534 -5.356 10.898 1.00 0.00 C ATOM 1060 CD1 TYR A 127 -7.519 -5.754 11.809 1.00 0.00 C ATOM 1061 CD2 TYR A 127 -5.218 -5.158 11.333 1.00 0.00 C ATOM 1062 CE1 TYR A 127 -7.188 -5.953 13.156 1.00 0.00 C ATOM 1063 CE2 TYR A 127 -4.888 -5.358 12.678 1.00 0.00 C ATOM 1064 CZ TYR A 127 -5.872 -5.756 13.589 1.00 0.00 C ATOM 1065 OH TYR A 127 -5.546 -5.951 14.915 1.00 0.00 O ATOM 0 H TYR A 127 -9.352 -4.950 9.751 1.00 0.00 H new ATOM 0 HA TYR A 127 -7.156 -3.050 9.927 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -7.519 -5.952 9.086 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -5.984 -5.144 8.834 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -8.534 -5.908 11.474 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -4.458 -4.851 10.630 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -7.948 -6.258 13.860 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -3.873 -5.205 13.013 1.00 0.00 H new ATOM 0 HH TYR A 127 -4.591 -5.773 15.047 1.00 0.00 H new ATOM 1075 N VAL A 128 -8.465 -3.707 7.014 1.00 0.00 N ATOM 1076 CA VAL A 128 -8.446 -3.283 5.586 1.00 0.00 C ATOM 1077 C VAL A 128 -8.547 -1.756 5.505 1.00 0.00 C ATOM 1078 O VAL A 128 -7.851 -1.118 4.742 1.00 0.00 O ATOM 1079 CB VAL A 128 -9.640 -3.924 4.866 1.00 0.00 C ATOM 1080 CG1 VAL A 128 -9.824 -3.288 3.484 1.00 0.00 C ATOM 1081 CG2 VAL A 128 -9.401 -5.438 4.710 1.00 0.00 C ATOM 0 H VAL A 128 -9.250 -4.303 7.275 1.00 0.00 H new ATOM 0 HA VAL A 128 -7.517 -3.602 5.113 1.00 0.00 H new ATOM 0 HB VAL A 128 -10.540 -3.758 5.457 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -10.674 -3.750 2.981 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -10.006 -2.219 3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -8.923 -3.442 2.890 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -10.251 -5.890 4.198 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -8.496 -5.605 4.127 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -9.287 -5.892 5.695 1.00 0.00 H new ATOM 1091 N ASP A 129 -9.411 -1.170 6.283 1.00 0.00 N ATOM 1092 CA ASP A 129 -9.564 0.310 6.250 1.00 0.00 C ATOM 1093 C ASP A 129 -8.207 0.973 6.489 1.00 0.00 C ATOM 1094 O ASP A 129 -7.802 1.861 5.766 1.00 0.00 O ATOM 1095 CB ASP A 129 -10.524 0.726 7.365 1.00 0.00 C ATOM 1096 CG ASP A 129 -10.612 2.249 7.431 1.00 0.00 C ATOM 1097 OD1 ASP A 129 -10.138 2.892 6.509 1.00 0.00 O ATOM 1098 OD2 ASP A 129 -11.152 2.749 8.404 1.00 0.00 O ATOM 0 H ASP A 129 -10.020 -1.654 6.943 1.00 0.00 H new ATOM 0 HA ASP A 129 -9.952 0.619 5.279 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -11.512 0.303 7.183 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -10.179 0.331 8.321 1.00 0.00 H new ATOM 1103 N SER A 130 -7.505 0.547 7.499 1.00 0.00 N ATOM 1104 CA SER A 130 -6.175 1.144 7.794 1.00 0.00 C ATOM 1105 C SER A 130 -5.211 0.880 6.631 1.00 0.00 C ATOM 1106 O SER A 130 -4.464 1.746 6.223 1.00 0.00 O ATOM 1107 CB SER A 130 -5.627 0.513 9.070 1.00 0.00 C ATOM 1108 OG SER A 130 -6.532 0.763 10.138 1.00 0.00 O ATOM 0 H SER A 130 -7.797 -0.194 8.137 1.00 0.00 H new ATOM 0 HA SER A 130 -6.277 2.221 7.925 1.00 0.00 H new ATOM 0 HB2 SER A 130 -5.495 -0.560 8.932 1.00 0.00 H new ATOM 0 HB3 SER A 130 -4.646 0.927 9.303 1.00 0.00 H new ATOM 0 HG SER A 130 -6.186 0.358 10.961 1.00 0.00 H new ATOM 1114 N ILE A 131 -5.224 -0.312 6.096 1.00 0.00 N ATOM 1115 CA ILE A 131 -4.314 -0.641 4.960 1.00 0.00 C ATOM 1116 C ILE A 131 -4.679 0.227 3.754 1.00 0.00 C ATOM 1117 O ILE A 131 -3.826 0.765 3.078 1.00 0.00 O ATOM 1118 CB ILE A 131 -4.477 -2.121 4.599 1.00 0.00 C ATOM 1119 CG1 ILE A 131 -3.937 -2.984 5.742 1.00 0.00 C ATOM 1120 CG2 ILE A 131 -3.701 -2.430 3.318 1.00 0.00 C ATOM 1121 CD1 ILE A 131 -4.338 -4.443 5.515 1.00 0.00 C ATOM 0 H ILE A 131 -5.829 -1.076 6.399 1.00 0.00 H new ATOM 0 HA ILE A 131 -3.280 -0.448 5.244 1.00 0.00 H new ATOM 0 HB ILE A 131 -5.533 -2.340 4.441 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -2.852 -2.898 5.795 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -4.331 -2.632 6.695 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -3.820 -3.484 3.066 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -4.085 -1.816 2.503 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -2.644 -2.211 3.471 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -3.953 -5.057 6.329 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -5.425 -4.521 5.484 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -3.922 -4.792 4.570 1.00 0.00 H new ATOM 1133 N VAL A 132 -5.946 0.366 3.490 1.00 0.00 N ATOM 1134 CA VAL A 132 -6.393 1.197 2.339 1.00 0.00 C ATOM 1135 C VAL A 132 -5.942 2.645 2.556 1.00 0.00 C ATOM 1136 O VAL A 132 -5.463 3.298 1.652 1.00 0.00 O ATOM 1137 CB VAL A 132 -7.923 1.133 2.258 1.00 0.00 C ATOM 1138 CG1 VAL A 132 -8.441 2.166 1.256 1.00 0.00 C ATOM 1139 CG2 VAL A 132 -8.353 -0.269 1.812 1.00 0.00 C ATOM 0 H VAL A 132 -6.699 -0.064 4.027 1.00 0.00 H new ATOM 0 HA VAL A 132 -5.959 0.825 1.411 1.00 0.00 H new ATOM 0 HB VAL A 132 -8.340 1.351 3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -9.529 2.112 1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -8.142 3.164 1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -8.022 1.959 0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -9.441 -0.315 1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -7.928 -0.485 0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -7.997 -1.005 2.532 1.00 0.00 H new ATOM 1149 N ALA A 133 -6.098 3.146 3.749 1.00 0.00 N ATOM 1150 CA ALA A 133 -5.689 4.549 4.035 1.00 0.00 C ATOM 1151 C ALA A 133 -4.201 4.737 3.726 1.00 0.00 C ATOM 1152 O ALA A 133 -3.812 5.666 3.048 1.00 0.00 O ATOM 1153 CB ALA A 133 -5.934 4.840 5.515 1.00 0.00 C ATOM 0 H ALA A 133 -6.493 2.641 4.542 1.00 0.00 H new ATOM 0 HA ALA A 133 -6.270 5.230 3.413 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -5.638 5.865 5.738 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -6.992 4.710 5.741 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -5.346 4.152 6.123 1.00 0.00 H new ATOM 1159 N SER A 134 -3.364 3.867 4.221 1.00 0.00 N ATOM 1160 CA SER A 134 -1.905 4.001 3.955 1.00 0.00 C ATOM 1161 C SER A 134 -1.637 3.846 2.458 1.00 0.00 C ATOM 1162 O SER A 134 -0.867 4.582 1.874 1.00 0.00 O ATOM 1163 CB SER A 134 -1.147 2.913 4.719 1.00 0.00 C ATOM 1164 OG SER A 134 0.248 3.075 4.505 1.00 0.00 O ATOM 0 H SER A 134 -3.628 3.069 4.798 1.00 0.00 H new ATOM 0 HA SER A 134 -1.568 4.984 4.283 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.373 2.975 5.783 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.466 1.927 4.383 1.00 0.00 H new ATOM 0 HG SER A 134 0.714 3.066 5.367 1.00 0.00 H new ATOM 1170 N THR A 135 -2.266 2.889 1.835 1.00 0.00 N ATOM 1171 CA THR A 135 -2.051 2.672 0.379 1.00 0.00 C ATOM 1172 C THR A 135 -2.525 3.901 -0.405 1.00 0.00 C ATOM 1173 O THR A 135 -1.848 4.386 -1.293 1.00 0.00 O ATOM 1174 CB THR A 135 -2.847 1.443 -0.067 1.00 0.00 C ATOM 1175 OG1 THR A 135 -2.638 0.388 0.862 1.00 0.00 O ATOM 1176 CG2 THR A 135 -2.375 0.993 -1.452 1.00 0.00 C ATOM 0 H THR A 135 -2.923 2.245 2.275 1.00 0.00 H new ATOM 0 HA THR A 135 -0.990 2.514 0.187 1.00 0.00 H new ATOM 0 HB THR A 135 -3.906 1.696 -0.111 1.00 0.00 H new ATOM 0 HG1 THR A 135 -3.357 0.391 1.528 1.00 0.00 H new ATOM 0 HG21 THR A 135 -2.945 0.118 -1.764 1.00 0.00 H new ATOM 0 HG22 THR A 135 -2.528 1.800 -2.168 1.00 0.00 H new ATOM 0 HG23 THR A 135 -1.316 0.740 -1.411 1.00 0.00 H new ATOM 1184 N ASN A 136 -3.682 4.407 -0.079 1.00 0.00 N ATOM 1185 CA ASN A 136 -4.210 5.601 -0.796 1.00 0.00 C ATOM 1186 C ASN A 136 -3.266 6.785 -0.573 1.00 0.00 C ATOM 1187 O ASN A 136 -3.017 7.569 -1.465 1.00 0.00 O ATOM 1188 CB ASN A 136 -5.598 5.948 -0.244 1.00 0.00 C ATOM 1189 CG ASN A 136 -6.639 4.978 -0.808 1.00 0.00 C ATOM 1190 OD1 ASN A 136 -6.483 4.467 -1.899 1.00 0.00 O ATOM 1191 ND2 ASN A 136 -7.703 4.704 -0.102 1.00 0.00 N ATOM 0 H ASN A 136 -4.287 4.043 0.657 1.00 0.00 H new ATOM 0 HA ASN A 136 -4.281 5.387 -1.862 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -5.590 5.894 0.845 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -5.860 6.972 -0.511 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -8.405 4.060 -0.466 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -7.832 5.134 0.814 1.00 0.00 H new ATOM 1198 N MET A 137 -2.749 6.923 0.615 1.00 0.00 N ATOM 1199 CA MET A 137 -1.833 8.057 0.907 1.00 0.00 C ATOM 1200 C MET A 137 -0.593 7.964 0.013 1.00 0.00 C ATOM 1201 O MET A 137 -0.083 8.960 -0.459 1.00 0.00 O ATOM 1202 CB MET A 137 -1.409 7.997 2.378 1.00 0.00 C ATOM 1203 CG MET A 137 -0.526 9.201 2.724 1.00 0.00 C ATOM 1204 SD MET A 137 -1.479 10.729 2.535 1.00 0.00 S ATOM 1205 CE MET A 137 -0.426 11.785 3.559 1.00 0.00 C ATOM 0 H MET A 137 -2.923 6.295 1.400 1.00 0.00 H new ATOM 0 HA MET A 137 -2.346 8.998 0.711 1.00 0.00 H new ATOM 0 HB2 MET A 137 -2.291 7.988 3.018 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.866 7.072 2.570 1.00 0.00 H new ATOM 0 HG2 MET A 137 -0.159 9.114 3.747 1.00 0.00 H new ATOM 0 HG3 MET A 137 0.348 9.223 2.073 1.00 0.00 H new ATOM 0 HE1 MET A 137 -0.836 12.795 3.582 1.00 0.00 H new ATOM 0 HE2 MET A 137 -0.386 11.386 4.573 1.00 0.00 H new ATOM 0 HE3 MET A 137 0.580 11.812 3.140 1.00 0.00 H new ATOM 1215 N ILE A 138 -0.097 6.780 -0.215 1.00 0.00 N ATOM 1216 CA ILE A 138 1.115 6.636 -1.068 1.00 0.00 C ATOM 1217 C ILE A 138 0.811 7.136 -2.482 1.00 0.00 C ATOM 1218 O ILE A 138 1.593 7.849 -3.078 1.00 0.00 O ATOM 1219 CB ILE A 138 1.514 5.158 -1.120 1.00 0.00 C ATOM 1220 CG1 ILE A 138 2.013 4.720 0.260 1.00 0.00 C ATOM 1221 CG2 ILE A 138 2.620 4.949 -2.159 1.00 0.00 C ATOM 1222 CD1 ILE A 138 2.176 3.200 0.286 1.00 0.00 C ATOM 0 H ILE A 138 -0.478 5.908 0.152 1.00 0.00 H new ATOM 0 HA ILE A 138 1.932 7.224 -0.650 1.00 0.00 H new ATOM 0 HB ILE A 138 0.647 4.561 -1.403 1.00 0.00 H new ATOM 0 HG12 ILE A 138 2.965 5.202 0.484 1.00 0.00 H new ATOM 0 HG13 ILE A 138 1.308 5.034 1.030 1.00 0.00 H new ATOM 0 HG21 ILE A 138 2.897 3.895 -2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 138 2.260 5.257 -3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 138 3.491 5.546 -1.888 1.00 0.00 H new ATOM 0 HD11 ILE A 138 2.531 2.889 1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 138 1.215 2.727 0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 138 2.898 2.898 -0.473 1.00 0.00 H new ATOM 1234 N PHE A 139 -0.318 6.773 -3.024 1.00 0.00 N ATOM 1235 CA PHE A 139 -0.661 7.235 -4.397 1.00 0.00 C ATOM 1236 C PHE A 139 -0.783 8.761 -4.419 1.00 0.00 C ATOM 1237 O PHE A 139 -0.240 9.426 -5.278 1.00 0.00 O ATOM 1238 CB PHE A 139 -1.999 6.614 -4.820 1.00 0.00 C ATOM 1239 CG PHE A 139 -1.795 5.167 -5.215 1.00 0.00 C ATOM 1240 CD1 PHE A 139 -1.011 4.855 -6.332 1.00 0.00 C ATOM 1241 CD2 PHE A 139 -2.394 4.138 -4.473 1.00 0.00 C ATOM 1242 CE1 PHE A 139 -0.828 3.519 -6.707 1.00 0.00 C ATOM 1243 CE2 PHE A 139 -2.208 2.803 -4.852 1.00 0.00 C ATOM 1244 CZ PHE A 139 -1.426 2.494 -5.968 1.00 0.00 C ATOM 0 H PHE A 139 -1.016 6.178 -2.577 1.00 0.00 H new ATOM 0 HA PHE A 139 0.125 6.928 -5.086 1.00 0.00 H new ATOM 0 HB2 PHE A 139 -2.715 6.679 -4.001 1.00 0.00 H new ATOM 0 HB3 PHE A 139 -2.420 7.172 -5.656 1.00 0.00 H new ATOM 0 HD1 PHE A 139 -0.547 5.645 -6.904 1.00 0.00 H new ATOM 0 HD2 PHE A 139 -2.998 4.375 -3.610 1.00 0.00 H new ATOM 0 HE1 PHE A 139 -0.223 3.279 -7.569 1.00 0.00 H new ATOM 0 HE2 PHE A 139 -2.670 2.011 -4.281 1.00 0.00 H new ATOM 0 HZ PHE A 139 -1.284 1.464 -6.260 1.00 0.00 H new ATOM 1254 N LYS A 140 -1.497 9.316 -3.482 1.00 0.00 N ATOM 1255 CA LYS A 140 -1.668 10.793 -3.440 1.00 0.00 C ATOM 1256 C LYS A 140 -0.329 11.470 -3.141 1.00 0.00 C ATOM 1257 O LYS A 140 0.005 12.489 -3.711 1.00 0.00 O ATOM 1258 CB LYS A 140 -2.670 11.144 -2.342 1.00 0.00 C ATOM 1259 CG LYS A 140 -4.060 10.640 -2.742 1.00 0.00 C ATOM 1260 CD LYS A 140 -5.045 10.856 -1.585 1.00 0.00 C ATOM 1261 CE LYS A 140 -5.449 12.333 -1.499 1.00 0.00 C ATOM 1262 NZ LYS A 140 -6.584 12.480 -0.543 1.00 0.00 N ATOM 0 H LYS A 140 -1.973 8.806 -2.738 1.00 0.00 H new ATOM 0 HA LYS A 140 -2.032 11.143 -4.406 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -2.365 10.692 -1.398 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -2.693 12.223 -2.187 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -4.407 11.168 -3.630 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -4.013 9.582 -2.999 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -5.931 10.238 -1.732 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -4.589 10.541 -0.646 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -4.602 12.935 -1.170 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -5.738 12.700 -2.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -6.860 13.481 -0.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -7.393 11.917 -0.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -6.292 12.144 0.397 1.00 0.00 H new ATOM 1276 N TYR A 141 0.431 10.918 -2.237 1.00 0.00 N ATOM 1277 CA TYR A 141 1.739 11.531 -1.883 1.00 0.00 C ATOM 1278 C TYR A 141 2.640 11.570 -3.119 1.00 0.00 C ATOM 1279 O TYR A 141 3.244 12.577 -3.428 1.00 0.00 O ATOM 1280 CB TYR A 141 2.405 10.692 -0.791 1.00 0.00 C ATOM 1281 CG TYR A 141 3.724 11.319 -0.409 1.00 0.00 C ATOM 1282 CD1 TYR A 141 3.737 12.502 0.337 1.00 0.00 C ATOM 1283 CD2 TYR A 141 4.931 10.722 -0.797 1.00 0.00 C ATOM 1284 CE1 TYR A 141 4.953 13.091 0.695 1.00 0.00 C ATOM 1285 CE2 TYR A 141 6.149 11.312 -0.438 1.00 0.00 C ATOM 1286 CZ TYR A 141 6.160 12.496 0.308 1.00 0.00 C ATOM 1287 OH TYR A 141 7.360 13.078 0.661 1.00 0.00 O ATOM 0 H TYR A 141 0.201 10.065 -1.727 1.00 0.00 H new ATOM 0 HA TYR A 141 1.582 12.547 -1.522 1.00 0.00 H new ATOM 0 HB2 TYR A 141 1.754 10.628 0.081 1.00 0.00 H new ATOM 0 HB3 TYR A 141 2.563 9.674 -1.146 1.00 0.00 H new ATOM 0 HD1 TYR A 141 2.806 12.961 0.637 1.00 0.00 H new ATOM 0 HD2 TYR A 141 4.922 9.808 -1.372 1.00 0.00 H new ATOM 0 HE1 TYR A 141 4.962 14.005 1.270 1.00 0.00 H new ATOM 0 HE2 TYR A 141 7.080 10.853 -0.737 1.00 0.00 H new ATOM 0 HH TYR A 141 8.100 12.537 0.314 1.00 0.00 H new ATOM 1297 N ALA A 142 2.727 10.481 -3.832 1.00 0.00 N ATOM 1298 CA ALA A 142 3.579 10.450 -5.050 1.00 0.00 C ATOM 1299 C ALA A 142 3.013 11.420 -6.092 1.00 0.00 C ATOM 1300 O ALA A 142 3.744 12.074 -6.807 1.00 0.00 O ATOM 1301 CB ALA A 142 3.589 9.032 -5.621 1.00 0.00 C ATOM 0 H ALA A 142 2.242 9.609 -3.621 1.00 0.00 H new ATOM 0 HA ALA A 142 4.596 10.747 -4.795 1.00 0.00 H new ATOM 0 HB1 ALA A 142 4.213 9.004 -6.515 1.00 0.00 H new ATOM 0 HB2 ALA A 142 3.989 8.343 -4.877 1.00 0.00 H new ATOM 0 HB3 ALA A 142 2.572 8.736 -5.879 1.00 0.00 H new ATOM 1307 N TYR A 143 1.716 11.520 -6.171 1.00 0.00 N ATOM 1308 CA TYR A 143 1.089 12.445 -7.155 1.00 0.00 C ATOM 1309 C TYR A 143 1.531 13.877 -6.849 1.00 0.00 C ATOM 1310 O TYR A 143 1.859 14.641 -7.735 1.00 0.00 O ATOM 1311 CB TYR A 143 -0.432 12.351 -7.036 1.00 0.00 C ATOM 1312 CG TYR A 143 -1.075 13.351 -7.966 1.00 0.00 C ATOM 1313 CD1 TYR A 143 -1.388 12.986 -9.281 1.00 0.00 C ATOM 1314 CD2 TYR A 143 -1.359 14.644 -7.513 1.00 0.00 C ATOM 1315 CE1 TYR A 143 -1.985 13.916 -10.141 1.00 0.00 C ATOM 1316 CE2 TYR A 143 -1.955 15.574 -8.373 1.00 0.00 C ATOM 1317 CZ TYR A 143 -2.268 15.209 -9.688 1.00 0.00 C ATOM 1318 OH TYR A 143 -2.856 16.125 -10.537 1.00 0.00 O ATOM 0 H TYR A 143 1.059 10.997 -5.592 1.00 0.00 H new ATOM 0 HA TYR A 143 1.396 12.172 -8.165 1.00 0.00 H new ATOM 0 HB2 TYR A 143 -0.765 11.343 -7.283 1.00 0.00 H new ATOM 0 HB3 TYR A 143 -0.739 12.545 -6.008 1.00 0.00 H new ATOM 0 HD1 TYR A 143 -1.169 11.988 -9.632 1.00 0.00 H new ATOM 0 HD2 TYR A 143 -1.118 14.925 -6.498 1.00 0.00 H new ATOM 0 HE1 TYR A 143 -2.227 13.635 -11.155 1.00 0.00 H new ATOM 0 HE2 TYR A 143 -2.173 16.572 -8.023 1.00 0.00 H new ATOM 0 HH TYR A 143 -2.985 16.974 -10.064 1.00 0.00 H new ATOM 1328 N ASP A 144 1.544 14.240 -5.599 1.00 0.00 N ATOM 1329 CA ASP A 144 1.961 15.615 -5.219 1.00 0.00 C ATOM 1330 C ASP A 144 3.415 15.837 -5.639 1.00 0.00 C ATOM 1331 O ASP A 144 3.784 16.899 -6.096 1.00 0.00 O ATOM 1332 CB ASP A 144 1.845 15.771 -3.702 1.00 0.00 C ATOM 1333 CG ASP A 144 0.371 15.850 -3.304 1.00 0.00 C ATOM 1334 OD1 ASP A 144 -0.448 16.089 -4.177 1.00 0.00 O ATOM 1335 OD2 ASP A 144 0.085 15.666 -2.133 1.00 0.00 O ATOM 0 H ASP A 144 1.281 13.638 -4.819 1.00 0.00 H new ATOM 0 HA ASP A 144 1.322 16.345 -5.716 1.00 0.00 H new ATOM 0 HB2 ASP A 144 2.322 14.928 -3.202 1.00 0.00 H new ATOM 0 HB3 ASP A 144 2.368 16.671 -3.378 1.00 0.00 H new ATOM 1340 N THR A 145 4.242 14.840 -5.488 1.00 0.00 N ATOM 1341 CA THR A 145 5.671 14.990 -5.877 1.00 0.00 C ATOM 1342 C THR A 145 5.764 15.065 -7.406 1.00 0.00 C ATOM 1343 O THR A 145 6.835 15.035 -7.975 1.00 0.00 O ATOM 1344 CB THR A 145 6.457 13.778 -5.363 1.00 0.00 C ATOM 1345 OG1 THR A 145 6.217 13.626 -3.972 1.00 0.00 O ATOM 1346 CG2 THR A 145 7.960 13.974 -5.596 1.00 0.00 C ATOM 0 H THR A 145 3.989 13.927 -5.111 1.00 0.00 H new ATOM 0 HA THR A 145 6.088 15.899 -5.445 1.00 0.00 H new ATOM 0 HB THR A 145 6.130 12.889 -5.903 1.00 0.00 H new ATOM 0 HG1 THR A 145 5.337 13.216 -3.835 1.00 0.00 H new ATOM 0 HG21 THR A 145 8.502 13.104 -5.225 1.00 0.00 H new ATOM 0 HG22 THR A 145 8.150 14.093 -6.663 1.00 0.00 H new ATOM 0 HG23 THR A 145 8.297 14.865 -5.066 1.00 0.00 H new ATOM 1354 N ARG A 146 4.638 15.167 -8.064 1.00 0.00 N ATOM 1355 CA ARG A 146 4.616 15.252 -9.555 1.00 0.00 C ATOM 1356 C ARG A 146 5.317 14.035 -10.167 1.00 0.00 C ATOM 1357 O ARG A 146 6.046 14.143 -11.132 1.00 0.00 O ATOM 1358 CB ARG A 146 5.302 16.548 -10.013 1.00 0.00 C ATOM 1359 CG ARG A 146 4.508 17.751 -9.490 1.00 0.00 C ATOM 1360 CD ARG A 146 5.194 19.049 -9.924 1.00 0.00 C ATOM 1361 NE ARG A 146 6.496 19.184 -9.209 1.00 0.00 N ATOM 1362 CZ ARG A 146 7.342 20.119 -9.554 1.00 0.00 C ATOM 1363 NH1 ARG A 146 7.060 20.931 -10.536 1.00 0.00 N ATOM 1364 NH2 ARG A 146 8.476 20.235 -8.918 1.00 0.00 N ATOM 0 H ARG A 146 3.718 15.195 -7.624 1.00 0.00 H new ATOM 0 HA ARG A 146 3.580 15.261 -9.894 1.00 0.00 H new ATOM 0 HB2 ARG A 146 6.326 16.583 -9.640 1.00 0.00 H new ATOM 0 HB3 ARG A 146 5.358 16.579 -11.101 1.00 0.00 H new ATOM 0 HG2 ARG A 146 3.488 17.721 -9.874 1.00 0.00 H new ATOM 0 HG3 ARG A 146 4.440 17.710 -8.403 1.00 0.00 H new ATOM 0 HD2 ARG A 146 5.357 19.044 -11.002 1.00 0.00 H new ATOM 0 HD3 ARG A 146 4.554 19.903 -9.702 1.00 0.00 H new ATOM 0 HE ARG A 146 6.727 18.545 -8.448 1.00 0.00 H new ATOM 0 HH11 ARG A 146 6.177 20.837 -11.037 1.00 0.00 H new ATOM 0 HH12 ARG A 146 7.723 21.659 -10.802 1.00 0.00 H new ATOM 0 HH21 ARG A 146 8.700 19.597 -8.154 1.00 0.00 H new ATOM 0 HH22 ARG A 146 9.138 20.963 -9.185 1.00 0.00 H new ATOM 1378 N LEU A 147 5.075 12.869 -9.624 1.00 0.00 N ATOM 1379 CA LEU A 147 5.693 11.624 -10.175 1.00 0.00 C ATOM 1380 C LEU A 147 4.696 10.964 -11.122 1.00 0.00 C ATOM 1381 O LEU A 147 5.064 10.294 -12.065 1.00 0.00 O ATOM 1382 CB LEU A 147 6.006 10.668 -9.025 1.00 0.00 C ATOM 1383 CG LEU A 147 7.163 11.229 -8.189 1.00 0.00 C ATOM 1384 CD1 LEU A 147 7.258 10.447 -6.877 1.00 0.00 C ATOM 1385 CD2 LEU A 147 8.494 11.119 -8.962 1.00 0.00 C ATOM 0 H LEU A 147 4.470 12.725 -8.815 1.00 0.00 H new ATOM 0 HA LEU A 147 6.612 11.865 -10.709 1.00 0.00 H new ATOM 0 HB2 LEU A 147 5.123 10.535 -8.399 1.00 0.00 H new ATOM 0 HB3 LEU A 147 6.270 9.686 -9.417 1.00 0.00 H new ATOM 0 HG LEU A 147 6.974 12.282 -7.979 1.00 0.00 H new ATOM 0 HD11 LEU A 147 8.079 10.841 -6.277 1.00 0.00 H new ATOM 0 HD12 LEU A 147 6.324 10.548 -6.325 1.00 0.00 H new ATOM 0 HD13 LEU A 147 7.439 9.394 -7.093 1.00 0.00 H new ATOM 0 HD21 LEU A 147 9.303 11.522 -8.353 1.00 0.00 H new ATOM 0 HD22 LEU A 147 8.697 10.073 -9.189 1.00 0.00 H new ATOM 0 HD23 LEU A 147 8.423 11.685 -9.891 1.00 0.00 H new ATOM 1397 N ILE A 148 3.429 11.156 -10.873 1.00 0.00 N ATOM 1398 CA ILE A 148 2.382 10.556 -11.749 1.00 0.00 C ATOM 1399 C ILE A 148 1.243 11.555 -11.926 1.00 0.00 C ATOM 1400 O ILE A 148 0.889 12.277 -11.015 1.00 0.00 O ATOM 1401 CB ILE A 148 1.860 9.267 -11.110 1.00 0.00 C ATOM 1402 CG1 ILE A 148 1.333 9.555 -9.698 1.00 0.00 C ATOM 1403 CG2 ILE A 148 2.995 8.246 -11.028 1.00 0.00 C ATOM 1404 CD1 ILE A 148 0.700 8.286 -9.122 1.00 0.00 C ATOM 0 H ILE A 148 3.071 11.708 -10.093 1.00 0.00 H new ATOM 0 HA ILE A 148 2.806 10.320 -12.725 1.00 0.00 H new ATOM 0 HB ILE A 148 1.049 8.870 -11.720 1.00 0.00 H new ATOM 0 HG12 ILE A 148 2.147 9.892 -9.056 1.00 0.00 H new ATOM 0 HG13 ILE A 148 0.598 10.359 -9.729 1.00 0.00 H new ATOM 0 HG21 ILE A 148 2.626 7.327 -10.573 1.00 0.00 H new ATOM 0 HG22 ILE A 148 3.365 8.031 -12.031 1.00 0.00 H new ATOM 0 HG23 ILE A 148 3.805 8.651 -10.422 1.00 0.00 H new ATOM 0 HD11 ILE A 148 0.325 8.489 -8.119 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -0.125 7.969 -9.760 1.00 0.00 H new ATOM 0 HD13 ILE A 148 1.448 7.495 -9.076 1.00 0.00 H new ATOM 1416 N LYS A 149 0.667 11.600 -13.093 1.00 0.00 N ATOM 1417 CA LYS A 149 -0.456 12.546 -13.352 1.00 0.00 C ATOM 1418 C LYS A 149 -1.775 11.781 -13.265 1.00 0.00 C ATOM 1419 O LYS A 149 -2.842 12.345 -13.386 1.00 0.00 O ATOM 1420 CB LYS A 149 -0.302 13.126 -14.755 1.00 0.00 C ATOM 1421 CG LYS A 149 0.960 13.990 -14.812 1.00 0.00 C ATOM 1422 CD LYS A 149 1.187 14.478 -16.247 1.00 0.00 C ATOM 1423 CE LYS A 149 0.196 15.595 -16.596 1.00 0.00 C ATOM 1424 NZ LYS A 149 0.637 16.275 -17.846 1.00 0.00 N ATOM 0 H LYS A 149 0.928 11.016 -13.888 1.00 0.00 H new ATOM 0 HA LYS A 149 -0.446 13.351 -12.618 1.00 0.00 H new ATOM 0 HB2 LYS A 149 -0.239 12.322 -15.488 1.00 0.00 H new ATOM 0 HB3 LYS A 149 -1.177 13.723 -15.012 1.00 0.00 H new ATOM 0 HG2 LYS A 149 0.860 14.842 -14.139 1.00 0.00 H new ATOM 0 HG3 LYS A 149 1.822 13.415 -14.472 1.00 0.00 H new ATOM 0 HD2 LYS A 149 2.208 14.842 -16.356 1.00 0.00 H new ATOM 0 HD3 LYS A 149 1.068 13.648 -16.943 1.00 0.00 H new ATOM 0 HE2 LYS A 149 -0.804 15.181 -16.727 1.00 0.00 H new ATOM 0 HE3 LYS A 149 0.139 16.314 -15.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 -0.034 17.033 -18.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 1.583 16.682 -17.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 0.670 15.585 -18.623 1.00 0.00 H new ATOM 1438 N ALA A 150 -1.703 10.491 -13.075 1.00 0.00 N ATOM 1439 CA ALA A 150 -2.943 9.665 -13.002 1.00 0.00 C ATOM 1440 C ALA A 150 -3.453 9.595 -11.563 1.00 0.00 C ATOM 1441 O ALA A 150 -2.803 10.034 -10.636 1.00 0.00 O ATOM 1442 CB ALA A 150 -2.631 8.251 -13.488 1.00 0.00 C ATOM 0 H ALA A 150 -0.833 9.970 -12.966 1.00 0.00 H new ATOM 0 HA ALA A 150 -3.709 10.121 -13.629 1.00 0.00 H new ATOM 0 HB1 ALA A 150 -3.533 7.641 -13.437 1.00 0.00 H new ATOM 0 HB2 ALA A 150 -2.277 8.290 -14.518 1.00 0.00 H new ATOM 0 HB3 ALA A 150 -1.860 7.811 -12.856 1.00 0.00 H new ATOM 1448 N MET A 151 -4.619 9.034 -11.376 1.00 0.00 N ATOM 1449 CA MET A 151 -5.194 8.913 -10.004 1.00 0.00 C ATOM 1450 C MET A 151 -6.000 7.611 -9.915 1.00 0.00 C ATOM 1451 O MET A 151 -7.216 7.620 -9.935 1.00 0.00 O ATOM 1452 CB MET A 151 -6.110 10.113 -9.732 1.00 0.00 C ATOM 1453 CG MET A 151 -5.255 11.342 -9.405 1.00 0.00 C ATOM 1454 SD MET A 151 -6.333 12.770 -9.119 1.00 0.00 S ATOM 1455 CE MET A 151 -5.395 13.514 -7.759 1.00 0.00 C ATOM 0 H MET A 151 -5.202 8.652 -12.121 1.00 0.00 H new ATOM 0 HA MET A 151 -4.395 8.897 -9.263 1.00 0.00 H new ATOM 0 HB2 MET A 151 -6.735 10.312 -10.603 1.00 0.00 H new ATOM 0 HB3 MET A 151 -6.781 9.892 -8.902 1.00 0.00 H new ATOM 0 HG2 MET A 151 -4.646 11.150 -8.522 1.00 0.00 H new ATOM 0 HG3 MET A 151 -4.569 11.550 -10.226 1.00 0.00 H new ATOM 0 HE1 MET A 151 -5.895 14.423 -7.427 1.00 0.00 H new ATOM 0 HE2 MET A 151 -5.335 12.809 -6.930 1.00 0.00 H new ATOM 0 HE3 MET A 151 -4.389 13.758 -8.101 1.00 0.00 H new ATOM 1465 N PRO A 152 -5.314 6.497 -9.820 1.00 0.00 N ATOM 1466 CA PRO A 152 -5.961 5.151 -9.728 1.00 0.00 C ATOM 1467 C PRO A 152 -7.004 5.082 -8.611 1.00 0.00 C ATOM 1468 O PRO A 152 -8.056 4.496 -8.765 1.00 0.00 O ATOM 1469 CB PRO A 152 -4.786 4.202 -9.424 1.00 0.00 C ATOM 1470 CG PRO A 152 -3.573 4.904 -9.948 1.00 0.00 C ATOM 1471 CD PRO A 152 -3.846 6.401 -9.792 1.00 0.00 C ATOM 0 HA PRO A 152 -6.502 4.900 -10.640 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -4.700 4.011 -8.354 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -4.923 3.236 -9.910 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -2.683 4.611 -9.392 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -3.395 4.647 -10.992 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -3.438 6.786 -8.858 1.00 0.00 H new ATOM 0 HD3 PRO A 152 -3.392 6.976 -10.599 1.00 0.00 H new