USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=26 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 140 LYS NZ :NH3+ -123:sc= 0 (180deg=0) USER MOD Set 1.2: A 151 MET CE :methyl 168:sc= -0.0208 (180deg=-0.00872) USER MOD Set 2.1: A 90 LYS NZ :NH3+ -139:sc= -0.103 (180deg=-0.638) USER MOD Set 2.2: A 94 HIS : no HE2:sc= 0 K(o=-0.1,f=-0.71) USER MOD Set 2.3: A 123 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 112 TYR OH : rot 45:sc= 0.715 USER MOD Set 3.2: A 136 ASN : amide:sc= 1.06 K(o=1.8,f=-2.7!) USER MOD Single : A 66 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.101) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 1.22 K(o=1.2,f=-0.36) USER MOD Single : A 76 TYR OH : rot 30:sc= -1.17! USER MOD Single : A 78 ASN : amide:sc= -3.7! C(o=-3.7!,f=-2.6!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0.166 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.0173 K(o=-0.017,f=-2.5!) USER MOD Single : A 100 ASN : amide:sc= -1.88! C(o=-1.9!,f=-5.2!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0155) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot -69:sc= 0.179 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 153:sc= -0.32 (180deg=-1.52!) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 GLN : amide:sc= -0.236 K(o=-0.24,f=-0.85) USER MOD Single : A 120 SER OG : rot -40:sc= 0.853 USER MOD Single : A 122 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.24) USER MOD Single : A 124 SER OG : rot 180:sc= -0.0445 USER MOD Single : A 125 LYS NZ :NH3+ -151:sc= -0.129 (180deg=-0.844) USER MOD Single : A 126 ASN : amide:sc= -0.0337 K(o=-0.034,f=-1.8!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 103:sc= -1.66! USER MOD Single : A 134 SER OG : rot 43:sc= 0.535 USER MOD Single : A 135 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 137 MET CE :methyl 155:sc= -0.142 (180deg=-0.877) 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 25:sc= -0.692 USER MOD Single : A 149 LYS NZ :NH3+ 162:sc= -0.0632 (180deg=-0.387) USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 65 9.391 3.464 -7.015 1.00 0.00 N ATOM 16 CA PHE A 65 8.245 3.139 -6.117 1.00 0.00 C ATOM 17 C PHE A 65 8.747 2.397 -4.878 1.00 0.00 C ATOM 18 O PHE A 65 8.295 2.629 -3.772 1.00 0.00 O ATOM 19 CB PHE A 65 7.243 2.259 -6.869 1.00 0.00 C ATOM 20 CG PHE A 65 6.091 1.903 -5.955 1.00 0.00 C ATOM 21 CD1 PHE A 65 5.271 2.914 -5.435 1.00 0.00 C ATOM 22 CD2 PHE A 65 5.840 0.563 -5.624 1.00 0.00 C ATOM 23 CE1 PHE A 65 4.208 2.586 -4.586 1.00 0.00 C ATOM 24 CE2 PHE A 65 4.776 0.240 -4.775 1.00 0.00 C ATOM 25 CZ PHE A 65 3.961 1.250 -4.257 1.00 0.00 C ATOM 0 HA PHE A 65 7.759 4.064 -5.806 1.00 0.00 H new ATOM 0 HB2 PHE A 65 6.872 2.784 -7.750 1.00 0.00 H new ATOM 0 HB3 PHE A 65 7.734 1.352 -7.222 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.460 3.946 -5.690 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.468 -0.219 -6.025 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.578 3.366 -4.185 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.584 -0.792 -4.520 1.00 0.00 H new ATOM 0 HZ PHE A 65 3.140 0.998 -3.602 1.00 0.00 H new ATOM 35 N LYS A 66 9.670 1.494 -5.059 1.00 0.00 N ATOM 36 CA LYS A 66 10.192 0.715 -3.902 1.00 0.00 C ATOM 37 C LYS A 66 10.699 1.683 -2.829 1.00 0.00 C ATOM 38 O LYS A 66 10.435 1.518 -1.653 1.00 0.00 O ATOM 39 CB LYS A 66 11.358 -0.165 -4.374 1.00 0.00 C ATOM 40 CG LYS A 66 11.783 -1.131 -3.254 1.00 0.00 C ATOM 41 CD LYS A 66 10.858 -2.354 -3.237 1.00 0.00 C ATOM 42 CE LYS A 66 11.408 -3.397 -2.270 1.00 0.00 C ATOM 43 NZ LYS A 66 11.283 -2.894 -0.873 1.00 0.00 N ATOM 0 H LYS A 66 10.086 1.261 -5.961 1.00 0.00 H new ATOM 0 HA LYS A 66 9.399 0.091 -3.491 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.062 -0.730 -5.258 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.202 0.461 -4.663 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.815 -1.447 -3.407 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.745 -0.623 -2.290 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.853 -2.058 -2.936 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.779 -2.777 -4.238 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.863 -4.334 -2.381 1.00 0.00 H new ATOM 0 HE3 LYS A 66 12.453 -3.607 -2.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.514 -3.659 -0.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.939 -2.100 -0.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.308 -2.572 -0.706 1.00 0.00 H new ATOM 57 N GLN A 67 11.426 2.690 -3.232 1.00 0.00 N ATOM 58 CA GLN A 67 11.957 3.680 -2.249 1.00 0.00 C ATOM 59 C GLN A 67 10.798 4.489 -1.654 1.00 0.00 C ATOM 60 O GLN A 67 10.770 4.783 -0.473 1.00 0.00 O ATOM 61 CB GLN A 67 12.922 4.631 -2.961 1.00 0.00 C ATOM 62 CG GLN A 67 14.163 3.856 -3.416 1.00 0.00 C ATOM 63 CD GLN A 67 15.103 4.786 -4.190 1.00 0.00 C ATOM 64 OE1 GLN A 67 14.839 5.965 -4.324 1.00 0.00 O ATOM 65 NE2 GLN A 67 16.200 4.300 -4.707 1.00 0.00 N ATOM 0 H GLN A 67 11.676 2.871 -4.204 1.00 0.00 H new ATOM 0 HA GLN A 67 12.479 3.153 -1.450 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.431 5.088 -3.820 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.211 5.441 -2.291 1.00 0.00 H new ATOM 0 HG2 GLN A 67 14.680 3.440 -2.551 1.00 0.00 H new ATOM 0 HG3 GLN A 67 13.868 3.017 -4.046 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.422 3.311 -4.595 1.00 0.00 H new ATOM 0 HE22 GLN A 67 16.834 4.910 -5.223 1.00 0.00 H new ATOM 74 N VAL A 68 9.843 4.853 -2.469 1.00 0.00 N ATOM 75 CA VAL A 68 8.680 5.648 -1.967 1.00 0.00 C ATOM 76 C VAL A 68 7.878 4.808 -0.972 1.00 0.00 C ATOM 77 O VAL A 68 7.472 5.278 0.075 1.00 0.00 O ATOM 78 CB VAL A 68 7.776 6.033 -3.144 1.00 0.00 C ATOM 79 CG1 VAL A 68 6.515 6.721 -2.618 1.00 0.00 C ATOM 80 CG2 VAL A 68 8.524 6.990 -4.074 1.00 0.00 C ATOM 0 H VAL A 68 9.817 4.634 -3.465 1.00 0.00 H new ATOM 0 HA VAL A 68 9.045 6.549 -1.475 1.00 0.00 H new ATOM 0 HB VAL A 68 7.499 5.134 -3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.873 6.994 -3.456 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.978 6.041 -1.957 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.794 7.619 -2.066 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.880 7.263 -4.910 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.804 7.888 -3.523 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.422 6.502 -4.452 1.00 0.00 H new ATOM 90 N ALA A 69 7.645 3.567 -1.303 1.00 0.00 N ATOM 91 CA ALA A 69 6.863 2.672 -0.399 1.00 0.00 C ATOM 92 C ALA A 69 7.575 2.545 0.949 1.00 0.00 C ATOM 93 O ALA A 69 6.973 2.668 2.000 1.00 0.00 O ATOM 94 CB ALA A 69 6.760 1.286 -1.040 1.00 0.00 C ATOM 0 H ALA A 69 7.965 3.130 -2.168 1.00 0.00 H new ATOM 0 HA ALA A 69 5.869 3.092 -0.245 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.190 0.625 -0.387 1.00 0.00 H new ATOM 0 HB2 ALA A 69 6.256 1.367 -2.003 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.760 0.878 -1.187 1.00 0.00 H new ATOM 100 N ASP A 70 8.854 2.292 0.920 1.00 0.00 N ATOM 101 CA ASP A 70 9.631 2.144 2.186 1.00 0.00 C ATOM 102 C ASP A 70 9.637 3.471 2.951 1.00 0.00 C ATOM 103 O ASP A 70 9.504 3.507 4.161 1.00 0.00 O ATOM 104 CB ASP A 70 11.070 1.750 1.850 1.00 0.00 C ATOM 105 CG ASP A 70 11.109 0.299 1.366 1.00 0.00 C ATOM 106 OD1 ASP A 70 10.116 -0.388 1.535 1.00 0.00 O ATOM 107 OD2 ASP A 70 12.134 -0.101 0.836 1.00 0.00 O ATOM 0 H ASP A 70 9.400 2.180 0.066 1.00 0.00 H new ATOM 0 HA ASP A 70 9.169 1.374 2.804 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.468 2.411 1.080 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.704 1.867 2.729 1.00 0.00 H new ATOM 112 N ASP A 71 9.804 4.560 2.249 1.00 0.00 N ATOM 113 CA ASP A 71 9.838 5.896 2.916 1.00 0.00 C ATOM 114 C ASP A 71 8.495 6.179 3.595 1.00 0.00 C ATOM 115 O ASP A 71 8.436 6.607 4.733 1.00 0.00 O ATOM 116 CB ASP A 71 10.109 6.971 1.858 1.00 0.00 C ATOM 117 CG ASP A 71 10.157 8.353 2.514 1.00 0.00 C ATOM 118 OD1 ASP A 71 9.864 8.438 3.694 1.00 0.00 O ATOM 119 OD2 ASP A 71 10.487 9.303 1.822 1.00 0.00 O ATOM 0 H ASP A 71 9.919 4.582 1.236 1.00 0.00 H new ATOM 0 HA ASP A 71 10.625 5.905 3.671 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.053 6.766 1.354 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.329 6.948 1.097 1.00 0.00 H new ATOM 124 N TRP A 72 7.416 5.947 2.897 1.00 0.00 N ATOM 125 CA TRP A 72 6.065 6.203 3.479 1.00 0.00 C ATOM 126 C TRP A 72 5.860 5.341 4.730 1.00 0.00 C ATOM 127 O TRP A 72 5.271 5.769 5.706 1.00 0.00 O ATOM 128 CB TRP A 72 4.988 5.862 2.444 1.00 0.00 C ATOM 129 CG TRP A 72 3.652 6.273 2.975 1.00 0.00 C ATOM 130 CD1 TRP A 72 3.044 7.453 2.713 1.00 0.00 C ATOM 131 CD2 TRP A 72 2.760 5.541 3.862 1.00 0.00 C ATOM 132 NE1 TRP A 72 1.834 7.490 3.383 1.00 0.00 N ATOM 133 CE2 TRP A 72 1.616 6.335 4.107 1.00 0.00 C ATOM 134 CE3 TRP A 72 2.835 4.277 4.474 1.00 0.00 C ATOM 135 CZ2 TRP A 72 0.581 5.891 4.929 1.00 0.00 C ATOM 136 CZ3 TRP A 72 1.794 3.826 5.303 1.00 0.00 C ATOM 137 CH2 TRP A 72 0.670 4.633 5.531 1.00 0.00 C ATOM 0 H TRP A 72 7.412 5.589 1.942 1.00 0.00 H new ATOM 0 HA TRP A 72 5.990 7.255 3.753 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.193 6.375 1.505 1.00 0.00 H new ATOM 0 HB3 TRP A 72 4.996 4.793 2.232 1.00 0.00 H new ATOM 0 HD1 TRP A 72 3.438 8.237 2.084 1.00 0.00 H new ATOM 0 HE1 TRP A 72 1.183 8.274 3.346 1.00 0.00 H new ATOM 0 HE3 TRP A 72 3.698 3.649 4.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.284 6.515 5.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.860 2.853 5.767 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -0.126 4.283 6.171 1.00 0.00 H new ATOM 148 N LEU A 73 6.332 4.121 4.701 1.00 0.00 N ATOM 149 CA LEU A 73 6.160 3.213 5.876 1.00 0.00 C ATOM 150 C LEU A 73 6.876 3.805 7.096 1.00 0.00 C ATOM 151 O LEU A 73 6.362 3.796 8.201 1.00 0.00 O ATOM 152 CB LEU A 73 6.773 1.839 5.547 1.00 0.00 C ATOM 153 CG LEU A 73 6.627 0.883 6.746 1.00 0.00 C ATOM 154 CD1 LEU A 73 5.144 0.724 7.119 1.00 0.00 C ATOM 155 CD2 LEU A 73 7.214 -0.491 6.384 1.00 0.00 C ATOM 0 H LEU A 73 6.831 3.713 3.911 1.00 0.00 H new ATOM 0 HA LEU A 73 5.098 3.103 6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.280 1.414 4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.827 1.955 5.293 1.00 0.00 H new ATOM 0 HG LEU A 73 7.166 1.299 7.597 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.053 0.046 7.968 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.729 1.696 7.385 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.597 0.317 6.269 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.110 -1.166 7.233 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.679 -0.901 5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.269 -0.382 6.135 1.00 0.00 H new ATOM 167 N LYS A 74 8.061 4.314 6.899 1.00 0.00 N ATOM 168 CA LYS A 74 8.833 4.901 8.035 1.00 0.00 C ATOM 169 C LYS A 74 8.087 6.113 8.601 1.00 0.00 C ATOM 170 O LYS A 74 7.995 6.294 9.801 1.00 0.00 O ATOM 171 CB LYS A 74 10.212 5.337 7.532 1.00 0.00 C ATOM 172 CG LYS A 74 11.030 4.101 7.148 1.00 0.00 C ATOM 173 CD LYS A 74 12.402 4.528 6.619 1.00 0.00 C ATOM 174 CE LYS A 74 13.221 3.285 6.260 1.00 0.00 C ATOM 175 NZ LYS A 74 14.561 3.699 5.753 1.00 0.00 N ATOM 0 H LYS A 74 8.532 4.350 5.995 1.00 0.00 H new ATOM 0 HA LYS A 74 8.946 4.155 8.821 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.105 5.997 6.671 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.731 5.903 8.305 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.151 3.451 8.014 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.501 3.525 6.389 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.283 5.164 5.742 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.926 5.117 7.371 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.334 2.646 7.136 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.699 2.699 5.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.116 2.854 5.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.444 4.292 4.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.059 4.240 6.489 1.00 0.00 H new ATOM 189 N GLN A 75 7.557 6.946 7.746 1.00 0.00 N ATOM 190 CA GLN A 75 6.817 8.151 8.228 1.00 0.00 C ATOM 191 C GLN A 75 5.507 7.719 8.894 1.00 0.00 C ATOM 192 O GLN A 75 5.112 8.243 9.922 1.00 0.00 O ATOM 193 CB GLN A 75 6.504 9.063 7.037 1.00 0.00 C ATOM 194 CG GLN A 75 7.808 9.645 6.487 1.00 0.00 C ATOM 195 CD GLN A 75 7.508 10.575 5.309 1.00 0.00 C ATOM 196 OE1 GLN A 75 6.656 11.437 5.401 1.00 0.00 O ATOM 197 NE2 GLN A 75 8.178 10.436 4.197 1.00 0.00 N ATOM 0 H GLN A 75 7.604 6.845 6.732 1.00 0.00 H new ATOM 0 HA GLN A 75 7.431 8.688 8.951 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.988 8.500 6.260 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.836 9.867 7.346 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.330 10.194 7.271 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.469 8.840 6.167 1.00 0.00 H new ATOM 0 HE21 GLN A 75 8.893 9.713 4.119 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.986 11.051 3.406 1.00 0.00 H new ATOM 206 N TYR A 76 4.834 6.761 8.316 1.00 0.00 N ATOM 207 CA TYR A 76 3.549 6.284 8.903 1.00 0.00 C ATOM 208 C TYR A 76 3.812 5.733 10.304 1.00 0.00 C ATOM 209 O TYR A 76 2.943 5.724 11.154 1.00 0.00 O ATOM 210 CB TYR A 76 2.968 5.181 8.013 1.00 0.00 C ATOM 211 CG TYR A 76 1.648 4.713 8.578 1.00 0.00 C ATOM 212 CD1 TYR A 76 0.514 5.525 8.460 1.00 0.00 C ATOM 213 CD2 TYR A 76 1.555 3.471 9.220 1.00 0.00 C ATOM 214 CE1 TYR A 76 -0.712 5.097 8.982 1.00 0.00 C ATOM 215 CE2 TYR A 76 0.328 3.044 9.744 1.00 0.00 C ATOM 216 CZ TYR A 76 -0.805 3.858 9.625 1.00 0.00 C ATOM 217 OH TYR A 76 -2.014 3.442 10.143 1.00 0.00 O ATOM 0 H TYR A 76 5.120 6.287 7.460 1.00 0.00 H new ATOM 0 HA TYR A 76 2.839 7.109 8.966 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.828 5.555 6.999 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.665 4.345 7.952 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.585 6.483 7.966 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.429 2.843 9.311 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.587 5.724 8.888 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.256 2.087 10.240 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.745 3.821 9.612 1.00 0.00 H new ATOM 227 N ALA A 77 5.015 5.286 10.549 1.00 0.00 N ATOM 228 CA ALA A 77 5.358 4.741 11.894 1.00 0.00 C ATOM 229 C ALA A 77 5.470 5.893 12.902 1.00 0.00 C ATOM 230 O ALA A 77 6.143 5.789 13.909 1.00 0.00 O ATOM 231 CB ALA A 77 6.691 3.993 11.813 1.00 0.00 C ATOM 0 H ALA A 77 5.778 5.275 9.872 1.00 0.00 H new ATOM 0 HA ALA A 77 4.577 4.054 12.220 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.944 3.593 12.795 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.606 3.174 11.099 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.474 4.678 11.487 1.00 0.00 H new ATOM 237 N ASN A 78 4.815 6.993 12.625 1.00 0.00 N ATOM 238 CA ASN A 78 4.868 8.169 13.547 1.00 0.00 C ATOM 239 C ASN A 78 4.461 7.750 14.965 1.00 0.00 C ATOM 240 O ASN A 78 5.172 7.037 15.647 1.00 0.00 O ATOM 241 CB ASN A 78 3.893 9.245 13.051 1.00 0.00 C ATOM 242 CG ASN A 78 4.453 9.939 11.812 1.00 0.00 C ATOM 243 OD1 ASN A 78 3.710 10.322 10.930 1.00 0.00 O ATOM 244 ND2 ASN A 78 5.738 10.136 11.712 1.00 0.00 N ATOM 0 H ASN A 78 4.241 7.127 11.793 1.00 0.00 H new ATOM 0 HA ASN A 78 5.886 8.559 13.564 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.929 8.792 12.818 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.719 9.978 13.839 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.119 10.611 10.894 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.362 9.815 12.452 1.00 0.00 H new ATOM 251 N ASP A 79 3.315 8.204 15.414 1.00 0.00 N ATOM 252 CA ASP A 79 2.842 7.855 16.783 1.00 0.00 C ATOM 253 C ASP A 79 1.923 6.633 16.702 1.00 0.00 C ATOM 254 O ASP A 79 1.353 6.203 17.685 1.00 0.00 O ATOM 255 CB ASP A 79 2.088 9.049 17.394 1.00 0.00 C ATOM 256 CG ASP A 79 0.939 9.498 16.481 1.00 0.00 C ATOM 257 OD1 ASP A 79 0.820 8.963 15.393 1.00 0.00 O ATOM 258 OD2 ASP A 79 0.198 10.379 16.893 1.00 0.00 O ATOM 0 H ASP A 79 2.685 8.806 14.883 1.00 0.00 H new ATOM 0 HA ASP A 79 3.696 7.620 17.418 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.694 8.773 18.372 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.778 9.878 17.551 1.00 0.00 H new ATOM 263 N VAL A 80 1.781 6.070 15.527 1.00 0.00 N ATOM 264 CA VAL A 80 0.898 4.876 15.362 1.00 0.00 C ATOM 265 C VAL A 80 1.430 3.703 16.186 1.00 0.00 C ATOM 266 O VAL A 80 2.493 3.766 16.775 1.00 0.00 O ATOM 267 CB VAL A 80 0.838 4.470 13.882 1.00 0.00 C ATOM 268 CG1 VAL A 80 0.499 5.691 13.028 1.00 0.00 C ATOM 269 CG2 VAL A 80 2.192 3.905 13.442 1.00 0.00 C ATOM 0 H VAL A 80 2.240 6.388 14.673 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.102 5.134 15.711 1.00 0.00 H new ATOM 0 HB VAL A 80 0.069 3.708 13.753 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.457 5.400 11.978 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.468 6.091 13.333 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.266 6.454 13.163 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.143 3.619 12.391 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.964 4.663 13.576 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.435 3.030 14.045 1.00 0.00 H new ATOM 279 N LYS A 81 0.683 2.635 16.231 1.00 0.00 N ATOM 280 CA LYS A 81 1.111 1.448 17.017 1.00 0.00 C ATOM 281 C LYS A 81 2.223 0.696 16.282 1.00 0.00 C ATOM 282 O LYS A 81 2.218 0.568 15.070 1.00 0.00 O ATOM 283 CB LYS A 81 -0.087 0.521 17.229 1.00 0.00 C ATOM 284 CG LYS A 81 -1.135 1.237 18.090 1.00 0.00 C ATOM 285 CD LYS A 81 -2.298 0.286 18.401 1.00 0.00 C ATOM 286 CE LYS A 81 -3.168 0.083 17.155 1.00 0.00 C ATOM 287 NZ LYS A 81 -4.449 -0.568 17.547 1.00 0.00 N ATOM 0 H LYS A 81 -0.212 2.535 15.753 1.00 0.00 H new ATOM 0 HA LYS A 81 1.493 1.780 17.982 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -0.519 0.240 16.268 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.233 -0.400 17.716 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.680 1.584 19.018 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -1.506 2.119 17.568 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.910 -0.674 18.742 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -2.902 0.693 19.212 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -3.366 1.042 16.676 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -2.642 -0.534 16.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.041 -0.707 16.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.250 -1.490 17.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.952 0.037 18.227 1.00 0.00 H new ATOM 301 N VAL A 82 3.177 0.203 17.023 1.00 0.00 N ATOM 302 CA VAL A 82 4.315 -0.545 16.414 1.00 0.00 C ATOM 303 C VAL A 82 3.803 -1.824 15.743 1.00 0.00 C ATOM 304 O VAL A 82 4.187 -2.157 14.638 1.00 0.00 O ATOM 305 CB VAL A 82 5.313 -0.909 17.521 1.00 0.00 C ATOM 306 CG1 VAL A 82 6.393 -1.838 16.962 1.00 0.00 C ATOM 307 CG2 VAL A 82 5.969 0.367 18.057 1.00 0.00 C ATOM 0 H VAL A 82 3.217 0.288 18.039 1.00 0.00 H new ATOM 0 HA VAL A 82 4.801 0.076 15.661 1.00 0.00 H new ATOM 0 HB VAL A 82 4.784 -1.416 18.328 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.099 -2.093 17.753 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.929 -2.748 16.582 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.922 -1.335 16.152 1.00 0.00 H new ATOM 0 HG21 VAL A 82 6.678 0.109 18.844 1.00 0.00 H new ATOM 0 HG22 VAL A 82 6.494 0.874 17.247 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.202 1.028 18.462 1.00 0.00 H new ATOM 317 N SER A 83 2.936 -2.542 16.408 1.00 0.00 N ATOM 318 CA SER A 83 2.389 -3.806 15.825 1.00 0.00 C ATOM 319 C SER A 83 1.691 -3.502 14.496 1.00 0.00 C ATOM 320 O SER A 83 1.775 -4.259 13.547 1.00 0.00 O ATOM 321 CB SER A 83 1.375 -4.410 16.796 1.00 0.00 C ATOM 322 OG SER A 83 2.025 -4.729 18.020 1.00 0.00 O ATOM 0 H SER A 83 2.581 -2.307 17.335 1.00 0.00 H new ATOM 0 HA SER A 83 3.205 -4.508 15.655 1.00 0.00 H new ATOM 0 HB2 SER A 83 0.563 -3.706 16.976 1.00 0.00 H new ATOM 0 HB3 SER A 83 0.930 -5.306 16.364 1.00 0.00 H new ATOM 0 HG SER A 83 1.376 -5.115 18.644 1.00 0.00 H new ATOM 328 N SER A 84 1.004 -2.396 14.431 1.00 0.00 N ATOM 329 CA SER A 84 0.287 -2.017 13.176 1.00 0.00 C ATOM 330 C SER A 84 1.298 -1.840 12.043 1.00 0.00 C ATOM 331 O SER A 84 1.058 -2.220 10.914 1.00 0.00 O ATOM 332 CB SER A 84 -0.458 -0.701 13.394 1.00 0.00 C ATOM 333 OG SER A 84 -0.849 -0.169 12.135 1.00 0.00 O ATOM 0 H SER A 84 0.906 -1.731 15.199 1.00 0.00 H new ATOM 0 HA SER A 84 -0.422 -2.802 12.914 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.335 -0.865 14.020 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.181 0.009 13.919 1.00 0.00 H new ATOM 0 HG SER A 84 -1.329 0.675 12.271 1.00 0.00 H new ATOM 339 N VAL A 85 2.427 -1.255 12.341 1.00 0.00 N ATOM 340 CA VAL A 85 3.461 -1.038 11.290 1.00 0.00 C ATOM 341 C VAL A 85 3.920 -2.393 10.743 1.00 0.00 C ATOM 342 O VAL A 85 4.023 -2.591 9.547 1.00 0.00 O ATOM 343 CB VAL A 85 4.661 -0.308 11.905 1.00 0.00 C ATOM 344 CG1 VAL A 85 5.796 -0.231 10.882 1.00 0.00 C ATOM 345 CG2 VAL A 85 4.247 1.107 12.312 1.00 0.00 C ATOM 0 H VAL A 85 2.678 -0.917 13.270 1.00 0.00 H new ATOM 0 HA VAL A 85 3.042 -0.440 10.481 1.00 0.00 H new ATOM 0 HB VAL A 85 5.002 -0.854 12.784 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.648 0.288 11.322 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.095 -1.239 10.594 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.455 0.312 10.001 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.101 1.624 12.749 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.903 1.652 11.433 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.441 1.054 13.044 1.00 0.00 H new ATOM 355 N ARG A 86 4.195 -3.326 11.617 1.00 0.00 N ATOM 356 CA ARG A 86 4.650 -4.673 11.160 1.00 0.00 C ATOM 357 C ARG A 86 3.546 -5.340 10.333 1.00 0.00 C ATOM 358 O ARG A 86 3.792 -5.894 9.277 1.00 0.00 O ATOM 359 CB ARG A 86 4.960 -5.548 12.386 1.00 0.00 C ATOM 360 CG ARG A 86 6.242 -5.053 13.067 1.00 0.00 C ATOM 361 CD ARG A 86 6.555 -5.919 14.297 1.00 0.00 C ATOM 362 NE ARG A 86 5.524 -5.691 15.349 1.00 0.00 N ATOM 363 CZ ARG A 86 5.526 -6.398 16.455 1.00 0.00 C ATOM 364 NH1 ARG A 86 6.437 -7.312 16.660 1.00 0.00 N ATOM 365 NH2 ARG A 86 4.608 -6.185 17.357 1.00 0.00 N ATOM 0 H ARG A 86 4.124 -3.213 12.628 1.00 0.00 H new ATOM 0 HA ARG A 86 5.545 -4.562 10.548 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.127 -5.513 13.089 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.077 -6.588 12.082 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.074 -5.091 12.364 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.125 -4.011 13.366 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.575 -6.972 14.016 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.544 -5.673 14.684 1.00 0.00 H new ATOM 0 HE ARG A 86 4.809 -4.978 15.208 1.00 0.00 H new ATOM 0 HH11 ARG A 86 7.156 -7.482 15.957 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.429 -7.855 17.523 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.895 -5.473 17.200 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.603 -6.731 18.219 1.00 0.00 H new ATOM 379 N ALA A 87 2.330 -5.286 10.808 1.00 0.00 N ATOM 380 CA ALA A 87 1.199 -5.912 10.059 1.00 0.00 C ATOM 381 C ALA A 87 0.972 -5.151 8.755 1.00 0.00 C ATOM 382 O ALA A 87 0.713 -5.729 7.716 1.00 0.00 O ATOM 383 CB ALA A 87 -0.070 -5.842 10.910 1.00 0.00 C ATOM 0 H ALA A 87 2.070 -4.834 11.685 1.00 0.00 H new ATOM 0 HA ALA A 87 1.438 -6.952 9.839 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.898 -6.298 10.367 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.089 -6.378 11.846 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.307 -4.800 11.125 1.00 0.00 H new ATOM 389 N ARG A 88 1.072 -3.854 8.811 1.00 0.00 N ATOM 390 CA ARG A 88 0.869 -3.028 7.592 1.00 0.00 C ATOM 391 C ARG A 88 1.965 -3.350 6.581 1.00 0.00 C ATOM 392 O ARG A 88 1.716 -3.493 5.401 1.00 0.00 O ATOM 393 CB ARG A 88 0.952 -1.546 7.965 1.00 0.00 C ATOM 394 CG ARG A 88 0.459 -0.680 6.790 1.00 0.00 C ATOM 395 CD ARG A 88 -1.053 -0.460 6.910 1.00 0.00 C ATOM 396 NE ARG A 88 -1.331 0.420 8.081 1.00 0.00 N ATOM 397 CZ ARG A 88 -2.495 0.390 8.678 1.00 0.00 C ATOM 398 NH1 ARG A 88 -3.432 -0.422 8.265 1.00 0.00 N ATOM 399 NH2 ARG A 88 -2.719 1.172 9.695 1.00 0.00 N ATOM 0 H ARG A 88 1.288 -3.327 9.657 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.108 -3.245 7.161 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.347 -1.351 8.851 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.979 -1.282 8.216 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.977 0.279 6.790 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.691 -1.168 5.843 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.439 -0.004 5.998 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.563 -1.416 7.030 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.606 1.052 8.420 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.259 -1.039 7.471 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.336 -0.439 8.736 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.989 1.804 10.023 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.625 1.152 10.164 1.00 0.00 H new ATOM 413 N GLU A 89 3.179 -3.461 7.050 1.00 0.00 N ATOM 414 CA GLU A 89 4.322 -3.769 6.144 1.00 0.00 C ATOM 415 C GLU A 89 4.003 -5.027 5.334 1.00 0.00 C ATOM 416 O GLU A 89 4.184 -5.070 4.132 1.00 0.00 O ATOM 417 CB GLU A 89 5.574 -4.020 6.991 1.00 0.00 C ATOM 418 CG GLU A 89 6.778 -4.249 6.076 1.00 0.00 C ATOM 419 CD GLU A 89 8.035 -4.468 6.921 1.00 0.00 C ATOM 420 OE1 GLU A 89 7.896 -4.670 8.117 1.00 0.00 O ATOM 421 OE2 GLU A 89 9.117 -4.433 6.356 1.00 0.00 O ATOM 0 H GLU A 89 3.429 -3.350 8.033 1.00 0.00 H new ATOM 0 HA GLU A 89 4.492 -2.932 5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.759 -3.168 7.645 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.423 -4.888 7.633 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.602 -5.115 5.438 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.915 -3.391 5.418 1.00 0.00 H new ATOM 428 N LYS A 90 3.523 -6.046 5.993 1.00 0.00 N ATOM 429 CA LYS A 90 3.178 -7.315 5.287 1.00 0.00 C ATOM 430 C LYS A 90 2.025 -7.067 4.310 1.00 0.00 C ATOM 431 O LYS A 90 1.958 -7.653 3.245 1.00 0.00 O ATOM 432 CB LYS A 90 2.753 -8.361 6.319 1.00 0.00 C ATOM 433 CG LYS A 90 2.515 -9.704 5.624 1.00 0.00 C ATOM 434 CD LYS A 90 2.178 -10.769 6.671 1.00 0.00 C ATOM 435 CE LYS A 90 1.971 -12.121 5.982 1.00 0.00 C ATOM 436 NZ LYS A 90 0.855 -12.014 5.001 1.00 0.00 N ATOM 0 H LYS A 90 3.353 -6.055 6.999 1.00 0.00 H new ATOM 0 HA LYS A 90 4.047 -7.672 4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.524 -8.467 7.082 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.844 -8.037 6.827 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.700 -9.614 4.906 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.403 -9.998 5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.983 -10.842 7.402 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.277 -10.486 7.216 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.886 -12.427 5.475 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.745 -12.888 6.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.267 -12.870 5.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.274 -11.181 5.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.244 -11.916 4.042 1.00 0.00 H new ATOM 450 N ALA A 91 1.109 -6.211 4.676 1.00 0.00 N ATOM 451 CA ALA A 91 -0.056 -5.923 3.786 1.00 0.00 C ATOM 452 C ALA A 91 0.425 -5.294 2.474 1.00 0.00 C ATOM 453 O ALA A 91 -0.002 -5.668 1.398 1.00 0.00 O ATOM 454 CB ALA A 91 -0.997 -4.945 4.493 1.00 0.00 C ATOM 0 H ALA A 91 1.116 -5.696 5.556 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.577 -6.855 3.567 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.850 -4.730 3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.349 -5.388 5.425 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.464 -4.019 4.710 1.00 0.00 H new ATOM 460 N ILE A 92 1.308 -4.336 2.563 1.00 0.00 N ATOM 461 CA ILE A 92 1.825 -3.667 1.333 1.00 0.00 C ATOM 462 C ILE A 92 2.951 -4.508 0.723 1.00 0.00 C ATOM 463 O ILE A 92 3.315 -4.344 -0.425 1.00 0.00 O ATOM 464 CB ILE A 92 2.364 -2.280 1.707 1.00 0.00 C ATOM 465 CG1 ILE A 92 3.477 -2.421 2.758 1.00 0.00 C ATOM 466 CG2 ILE A 92 1.229 -1.428 2.281 1.00 0.00 C ATOM 467 CD1 ILE A 92 4.071 -1.047 3.072 1.00 0.00 C ATOM 0 H ILE A 92 1.696 -3.986 3.439 1.00 0.00 H new ATOM 0 HA ILE A 92 1.020 -3.566 0.605 1.00 0.00 H new ATOM 0 HB ILE A 92 2.767 -1.800 0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.077 -2.870 3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.256 -3.088 2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.612 -0.443 2.547 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.441 -1.322 1.536 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.825 -1.912 3.170 1.00 0.00 H new ATOM 0 HD11 ILE A 92 4.859 -1.153 3.817 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.488 -0.614 2.162 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.290 -0.393 3.460 1.00 0.00 H new ATOM 479 N GLN A 93 3.507 -5.400 1.497 1.00 0.00 N ATOM 480 CA GLN A 93 4.623 -6.254 0.992 1.00 0.00 C ATOM 481 C GLN A 93 4.194 -6.973 -0.288 1.00 0.00 C ATOM 482 O GLN A 93 4.950 -7.085 -1.235 1.00 0.00 O ATOM 483 CB GLN A 93 4.978 -7.295 2.058 1.00 0.00 C ATOM 484 CG GLN A 93 6.145 -8.153 1.568 1.00 0.00 C ATOM 485 CD GLN A 93 6.633 -9.056 2.705 1.00 0.00 C ATOM 486 OE1 GLN A 93 6.321 -8.831 3.857 1.00 0.00 O ATOM 487 NE2 GLN A 93 7.396 -10.078 2.423 1.00 0.00 N ATOM 0 H GLN A 93 3.235 -5.576 2.464 1.00 0.00 H new ATOM 0 HA GLN A 93 5.488 -5.626 0.778 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.245 -6.799 2.991 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.113 -7.925 2.268 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.832 -8.759 0.718 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.958 -7.515 1.222 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.658 -10.267 1.456 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.730 -10.687 3.170 1.00 0.00 H new ATOM 496 N HIS A 94 2.984 -7.462 -0.320 1.00 0.00 N ATOM 497 CA HIS A 94 2.491 -8.179 -1.532 1.00 0.00 C ATOM 498 C HIS A 94 2.373 -7.199 -2.704 1.00 0.00 C ATOM 499 O HIS A 94 2.746 -7.500 -3.822 1.00 0.00 O ATOM 500 CB HIS A 94 1.112 -8.773 -1.237 1.00 0.00 C ATOM 501 CG HIS A 94 1.252 -9.942 -0.302 1.00 0.00 C ATOM 502 ND1 HIS A 94 1.700 -11.180 -0.734 1.00 0.00 N ATOM 503 CD2 HIS A 94 1.001 -10.082 1.042 1.00 0.00 C ATOM 504 CE1 HIS A 94 1.707 -12.003 0.329 1.00 0.00 C ATOM 505 NE2 HIS A 94 1.289 -11.386 1.438 1.00 0.00 N ATOM 0 H HIS A 94 2.312 -7.396 0.445 1.00 0.00 H new ATOM 0 HA HIS A 94 3.193 -8.972 -1.792 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.467 -8.015 -0.793 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.637 -9.092 -2.165 1.00 0.00 H new ATOM 0 HD1 HIS A 94 1.975 -11.423 -1.686 1.00 0.00 H new ATOM 0 HD2 HIS A 94 0.636 -9.300 1.692 1.00 0.00 H new ATOM 0 HE1 HIS A 94 2.013 -13.038 0.291 1.00 0.00 H new ATOM 513 N ALA A 95 1.851 -6.029 -2.448 1.00 0.00 N ATOM 514 CA ALA A 95 1.694 -5.015 -3.534 1.00 0.00 C ATOM 515 C ALA A 95 3.074 -4.526 -3.985 1.00 0.00 C ATOM 516 O ALA A 95 3.322 -4.322 -5.158 1.00 0.00 O ATOM 517 CB ALA A 95 0.882 -3.833 -3.002 1.00 0.00 C ATOM 0 H ALA A 95 1.525 -5.730 -1.529 1.00 0.00 H new ATOM 0 HA ALA A 95 1.178 -5.464 -4.382 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.764 -3.089 -3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.100 -4.181 -2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 95 1.403 -3.385 -2.155 1.00 0.00 H new ATOM 523 N ILE A 96 3.970 -4.337 -3.054 1.00 0.00 N ATOM 524 CA ILE A 96 5.340 -3.860 -3.406 1.00 0.00 C ATOM 525 C ILE A 96 6.039 -4.903 -4.277 1.00 0.00 C ATOM 526 O ILE A 96 6.694 -4.579 -5.252 1.00 0.00 O ATOM 527 CB ILE A 96 6.154 -3.642 -2.124 1.00 0.00 C ATOM 528 CG1 ILE A 96 5.588 -2.446 -1.351 1.00 0.00 C ATOM 529 CG2 ILE A 96 7.619 -3.369 -2.484 1.00 0.00 C ATOM 530 CD1 ILE A 96 6.175 -2.426 0.063 1.00 0.00 C ATOM 0 H ILE A 96 3.811 -4.493 -2.059 1.00 0.00 H new ATOM 0 HA ILE A 96 5.263 -2.921 -3.954 1.00 0.00 H new ATOM 0 HB ILE A 96 6.093 -4.536 -1.504 1.00 0.00 H new ATOM 0 HG12 ILE A 96 5.829 -1.518 -1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 96 4.501 -2.512 -1.304 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.195 -3.214 -1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 96 8.025 -4.221 -3.029 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.680 -2.477 -3.107 1.00 0.00 H new ATOM 0 HD11 ILE A 96 5.772 -1.575 0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.911 -3.349 0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 96 7.260 -2.340 0.005 1.00 0.00 H new ATOM 542 N GLU A 97 5.914 -6.151 -3.922 1.00 0.00 N ATOM 543 CA GLU A 97 6.575 -7.224 -4.715 1.00 0.00 C ATOM 544 C GLU A 97 5.954 -7.275 -6.112 1.00 0.00 C ATOM 545 O GLU A 97 6.638 -7.409 -7.111 1.00 0.00 O ATOM 546 CB GLU A 97 6.365 -8.572 -4.018 1.00 0.00 C ATOM 547 CG GLU A 97 7.119 -9.662 -4.784 1.00 0.00 C ATOM 548 CD GLU A 97 6.965 -11.006 -4.068 1.00 0.00 C ATOM 549 OE1 GLU A 97 6.129 -11.094 -3.184 1.00 0.00 O ATOM 550 OE2 GLU A 97 7.688 -11.925 -4.416 1.00 0.00 O ATOM 0 H GLU A 97 5.381 -6.475 -3.115 1.00 0.00 H new ATOM 0 HA GLU A 97 7.642 -7.016 -4.795 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.722 -8.522 -2.989 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.302 -8.811 -3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.734 -9.736 -5.801 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.174 -9.400 -4.861 1.00 0.00 H new ATOM 557 N ARG A 98 4.656 -7.162 -6.183 1.00 0.00 N ATOM 558 CA ARG A 98 3.958 -7.203 -7.502 1.00 0.00 C ATOM 559 C ARG A 98 4.292 -5.950 -8.310 1.00 0.00 C ATOM 560 O ARG A 98 4.531 -6.008 -9.502 1.00 0.00 O ATOM 561 CB ARG A 98 2.448 -7.276 -7.268 1.00 0.00 C ATOM 562 CG ARG A 98 1.721 -7.328 -8.613 1.00 0.00 C ATOM 563 CD ARG A 98 0.243 -7.671 -8.391 1.00 0.00 C ATOM 564 NE ARG A 98 -0.403 -6.618 -7.558 1.00 0.00 N ATOM 565 CZ ARG A 98 -1.606 -6.802 -7.071 1.00 0.00 C ATOM 566 NH1 ARG A 98 -2.247 -7.919 -7.296 1.00 0.00 N ATOM 567 NH2 ARG A 98 -2.166 -5.869 -6.355 1.00 0.00 N ATOM 0 H ARG A 98 4.043 -7.042 -5.377 1.00 0.00 H new ATOM 0 HA ARG A 98 4.288 -8.080 -8.059 1.00 0.00 H new ATOM 0 HB2 ARG A 98 2.204 -8.159 -6.677 1.00 0.00 H new ATOM 0 HB3 ARG A 98 2.116 -6.409 -6.697 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.809 -6.368 -9.122 1.00 0.00 H new ATOM 0 HG3 ARG A 98 2.184 -8.074 -9.259 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.268 -7.753 -9.350 1.00 0.00 H new ATOM 0 HD3 ARG A 98 0.155 -8.640 -7.900 1.00 0.00 H new ATOM 0 HE ARG A 98 0.094 -5.748 -7.365 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.811 -8.654 -7.853 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -3.183 -8.056 -6.914 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -1.668 -4.997 -6.174 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -3.102 -6.010 -5.975 1.00 0.00 H new ATOM 581 N PHE A 99 4.306 -4.817 -7.664 1.00 0.00 N ATOM 582 CA PHE A 99 4.616 -3.538 -8.367 1.00 0.00 C ATOM 583 C PHE A 99 6.093 -3.204 -8.168 1.00 0.00 C ATOM 584 O PHE A 99 6.515 -2.072 -8.315 1.00 0.00 O ATOM 585 CB PHE A 99 3.741 -2.417 -7.794 1.00 0.00 C ATOM 586 CG PHE A 99 2.291 -2.864 -7.748 1.00 0.00 C ATOM 587 CD1 PHE A 99 1.663 -3.350 -8.905 1.00 0.00 C ATOM 588 CD2 PHE A 99 1.570 -2.786 -6.546 1.00 0.00 C ATOM 589 CE1 PHE A 99 0.326 -3.756 -8.860 1.00 0.00 C ATOM 590 CE2 PHE A 99 0.230 -3.194 -6.505 1.00 0.00 C ATOM 591 CZ PHE A 99 -0.389 -3.678 -7.662 1.00 0.00 C ATOM 0 H PHE A 99 4.114 -4.721 -6.667 1.00 0.00 H new ATOM 0 HA PHE A 99 4.410 -3.639 -9.433 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.081 -2.154 -6.792 1.00 0.00 H new ATOM 0 HB3 PHE A 99 3.835 -1.521 -8.408 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.214 -3.411 -9.832 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.048 -2.412 -5.653 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.155 -4.130 -9.752 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.325 -3.135 -5.580 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.422 -3.992 -7.629 1.00 0.00 H new ATOM 601 N ASN A 100 6.880 -4.192 -7.834 1.00 0.00 N ATOM 602 CA ASN A 100 8.338 -3.962 -7.619 1.00 0.00 C ATOM 603 C ASN A 100 8.979 -3.453 -8.908 1.00 0.00 C ATOM 604 O ASN A 100 9.803 -2.558 -8.894 1.00 0.00 O ATOM 605 CB ASN A 100 8.993 -5.285 -7.227 1.00 0.00 C ATOM 606 CG ASN A 100 10.509 -5.110 -7.115 1.00 0.00 C ATOM 607 OD1 ASN A 100 11.147 -4.619 -8.025 1.00 0.00 O ATOM 608 ND2 ASN A 100 11.118 -5.500 -6.028 1.00 0.00 N ATOM 0 H ASN A 100 6.573 -5.155 -7.700 1.00 0.00 H new ATOM 0 HA ASN A 100 8.477 -3.222 -6.831 1.00 0.00 H new ATOM 0 HB2 ASN A 100 8.588 -5.632 -6.276 1.00 0.00 H new ATOM 0 HB3 ASN A 100 8.761 -6.048 -7.970 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.129 -5.392 -5.943 1.00 0.00 H new ATOM 0 HD22 ASN A 100 10.583 -5.912 -5.264 1.00 0.00 H new ATOM 615 N THR A 101 8.610 -4.023 -10.025 1.00 0.00 N ATOM 616 CA THR A 101 9.194 -3.588 -11.329 1.00 0.00 C ATOM 617 C THR A 101 8.192 -2.706 -12.062 1.00 0.00 C ATOM 618 O THR A 101 8.521 -2.059 -13.040 1.00 0.00 O ATOM 619 CB THR A 101 9.501 -4.825 -12.179 1.00 0.00 C ATOM 620 OG1 THR A 101 8.288 -5.498 -12.504 1.00 0.00 O ATOM 621 CG2 THR A 101 10.409 -5.769 -11.391 1.00 0.00 C ATOM 0 H THR A 101 7.925 -4.776 -10.091 1.00 0.00 H new ATOM 0 HA THR A 101 10.111 -3.026 -11.153 1.00 0.00 H new ATOM 0 HB THR A 101 10.000 -4.517 -13.098 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.488 -6.288 -13.049 1.00 0.00 H new ATOM 0 HG21 THR A 101 10.629 -6.650 -11.994 1.00 0.00 H new ATOM 0 HG22 THR A 101 11.339 -5.257 -11.144 1.00 0.00 H new ATOM 0 HG23 THR A 101 9.907 -6.074 -10.473 1.00 0.00 H new ATOM 629 N LYS A 102 6.964 -2.675 -11.600 1.00 0.00 N ATOM 630 CA LYS A 102 5.926 -1.837 -12.276 1.00 0.00 C ATOM 631 C LYS A 102 5.688 -0.542 -11.471 1.00 0.00 C ATOM 632 O LYS A 102 5.388 -0.595 -10.292 1.00 0.00 O ATOM 633 CB LYS A 102 4.615 -2.618 -12.374 1.00 0.00 C ATOM 634 CG LYS A 102 4.920 -4.071 -12.732 1.00 0.00 C ATOM 635 CD LYS A 102 3.610 -4.827 -12.948 1.00 0.00 C ATOM 636 CE LYS A 102 3.899 -6.319 -13.128 1.00 0.00 C ATOM 637 NZ LYS A 102 4.484 -6.553 -14.479 1.00 0.00 N ATOM 0 H LYS A 102 6.637 -3.194 -10.785 1.00 0.00 H new ATOM 0 HA LYS A 102 6.275 -1.582 -13.277 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.078 -2.570 -11.427 1.00 0.00 H new ATOM 0 HB3 LYS A 102 3.969 -2.173 -13.130 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.530 -4.114 -13.634 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.496 -4.540 -11.934 1.00 0.00 H new ATOM 0 HD2 LYS A 102 2.947 -4.675 -12.096 1.00 0.00 H new ATOM 0 HD3 LYS A 102 3.095 -4.438 -13.826 1.00 0.00 H new ATOM 0 HE2 LYS A 102 4.589 -6.662 -12.357 1.00 0.00 H new ATOM 0 HE3 LYS A 102 2.981 -6.895 -13.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.617 -7.574 -14.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.841 -6.179 -15.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.403 -6.070 -14.548 1.00 0.00 H new ATOM 651 N PRO A 103 5.811 0.610 -12.089 1.00 0.00 N ATOM 652 CA PRO A 103 5.593 1.918 -11.408 1.00 0.00 C ATOM 653 C PRO A 103 4.111 2.205 -11.145 1.00 0.00 C ATOM 654 O PRO A 103 3.231 1.619 -11.741 1.00 0.00 O ATOM 655 CB PRO A 103 6.195 2.945 -12.379 1.00 0.00 C ATOM 656 CG PRO A 103 6.094 2.311 -13.730 1.00 0.00 C ATOM 657 CD PRO A 103 6.171 0.800 -13.508 1.00 0.00 C ATOM 0 HA PRO A 103 6.055 1.941 -10.421 1.00 0.00 H new ATOM 0 HB2 PRO A 103 5.649 3.888 -12.344 1.00 0.00 H new ATOM 0 HB3 PRO A 103 7.231 3.168 -12.125 1.00 0.00 H new ATOM 0 HG2 PRO A 103 5.158 2.584 -14.218 1.00 0.00 H new ATOM 0 HG3 PRO A 103 6.902 2.649 -14.379 1.00 0.00 H new ATOM 0 HD2 PRO A 103 5.484 0.268 -14.165 1.00 0.00 H new ATOM 0 HD3 PRO A 103 7.171 0.420 -13.717 1.00 0.00 H new ATOM 665 N ILE A 104 3.843 3.111 -10.249 1.00 0.00 N ATOM 666 CA ILE A 104 2.433 3.462 -9.926 1.00 0.00 C ATOM 667 C ILE A 104 1.690 3.839 -11.211 1.00 0.00 C ATOM 668 O ILE A 104 0.478 3.769 -11.288 1.00 0.00 O ATOM 669 CB ILE A 104 2.427 4.653 -8.964 1.00 0.00 C ATOM 670 CG1 ILE A 104 3.002 4.215 -7.614 1.00 0.00 C ATOM 671 CG2 ILE A 104 0.999 5.165 -8.780 1.00 0.00 C ATOM 672 CD1 ILE A 104 3.245 5.441 -6.729 1.00 0.00 C ATOM 0 H ILE A 104 4.546 3.628 -9.722 1.00 0.00 H new ATOM 0 HA ILE A 104 1.937 2.609 -9.463 1.00 0.00 H new ATOM 0 HB ILE A 104 3.038 5.456 -9.376 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.313 3.530 -7.120 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.936 3.674 -7.765 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.002 6.012 -8.094 1.00 0.00 H new ATOM 0 HG22 ILE A 104 0.598 5.479 -9.744 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.377 4.369 -8.370 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.654 5.122 -5.770 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.951 6.110 -7.220 1.00 0.00 H new ATOM 0 HD13 ILE A 104 2.303 5.964 -6.566 1.00 0.00 H new ATOM 684 N GLN A 105 2.415 4.242 -12.216 1.00 0.00 N ATOM 685 CA GLN A 105 1.774 4.636 -13.503 1.00 0.00 C ATOM 686 C GLN A 105 1.164 3.405 -14.183 1.00 0.00 C ATOM 687 O GLN A 105 0.415 3.520 -15.136 1.00 0.00 O ATOM 688 CB GLN A 105 2.836 5.251 -14.413 1.00 0.00 C ATOM 689 CG GLN A 105 3.271 6.605 -13.852 1.00 0.00 C ATOM 690 CD GLN A 105 4.391 7.192 -14.718 1.00 0.00 C ATOM 691 OE1 GLN A 105 5.462 6.625 -14.818 1.00 0.00 O ATOM 692 NE2 GLN A 105 4.189 8.318 -15.349 1.00 0.00 N ATOM 0 H GLN A 105 3.432 4.316 -12.202 1.00 0.00 H new ATOM 0 HA GLN A 105 0.982 5.360 -13.311 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.695 4.584 -14.488 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.439 5.374 -15.421 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.422 7.288 -13.828 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.616 6.489 -12.825 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.291 8.795 -15.266 1.00 0.00 H new ATOM 0 HE22 GLN A 105 4.929 8.720 -15.924 1.00 0.00 H new ATOM 701 N THR A 106 1.474 2.226 -13.702 1.00 0.00 N ATOM 702 CA THR A 106 0.907 0.984 -14.319 1.00 0.00 C ATOM 703 C THR A 106 -0.285 0.505 -13.487 1.00 0.00 C ATOM 704 O THR A 106 -0.968 -0.436 -13.846 1.00 0.00 O ATOM 705 CB THR A 106 1.980 -0.111 -14.351 1.00 0.00 C ATOM 706 OG1 THR A 106 2.616 -0.196 -13.084 1.00 0.00 O ATOM 707 CG2 THR A 106 3.014 0.227 -15.425 1.00 0.00 C ATOM 0 H THR A 106 2.095 2.069 -12.908 1.00 0.00 H new ATOM 0 HA THR A 106 0.581 1.200 -15.337 1.00 0.00 H new ATOM 0 HB THR A 106 1.515 -1.070 -14.581 1.00 0.00 H new ATOM 0 HG1 THR A 106 3.153 0.610 -12.933 1.00 0.00 H new ATOM 0 HG21 THR A 106 3.779 -0.549 -15.451 1.00 0.00 H new ATOM 0 HG22 THR A 106 2.523 0.286 -16.397 1.00 0.00 H new ATOM 0 HG23 THR A 106 3.478 1.186 -15.194 1.00 0.00 H new ATOM 715 N ILE A 107 -0.547 1.150 -12.379 1.00 0.00 N ATOM 716 CA ILE A 107 -1.700 0.739 -11.525 1.00 0.00 C ATOM 717 C ILE A 107 -2.973 1.404 -12.038 1.00 0.00 C ATOM 718 O ILE A 107 -3.060 2.613 -12.147 1.00 0.00 O ATOM 719 CB ILE A 107 -1.448 1.160 -10.075 1.00 0.00 C ATOM 720 CG1 ILE A 107 -0.241 0.388 -9.533 1.00 0.00 C ATOM 721 CG2 ILE A 107 -2.681 0.845 -9.219 1.00 0.00 C ATOM 722 CD1 ILE A 107 0.160 0.940 -8.162 1.00 0.00 C ATOM 0 H ILE A 107 -0.011 1.944 -12.029 1.00 0.00 H new ATOM 0 HA ILE A 107 -1.813 -0.344 -11.567 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.251 2.231 -10.037 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.483 -0.672 -9.451 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.596 0.471 -10.227 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.495 1.147 -8.188 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.542 1.389 -9.607 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.883 -0.226 -9.253 1.00 0.00 H new ATOM 0 HD11 ILE A 107 1.019 0.386 -7.784 1.00 0.00 H new ATOM 0 HD12 ILE A 107 0.421 1.994 -8.256 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.674 0.834 -7.469 1.00 0.00 H new ATOM 734 N LYS A 108 -3.963 0.610 -12.353 1.00 0.00 N ATOM 735 CA LYS A 108 -5.256 1.155 -12.868 1.00 0.00 C ATOM 736 C LYS A 108 -6.360 0.949 -11.832 1.00 0.00 C ATOM 737 O LYS A 108 -6.120 0.521 -10.717 1.00 0.00 O ATOM 738 CB LYS A 108 -5.630 0.441 -14.174 1.00 0.00 C ATOM 739 CG LYS A 108 -5.390 -1.067 -14.047 1.00 0.00 C ATOM 740 CD LYS A 108 -5.721 -1.746 -15.379 1.00 0.00 C ATOM 741 CE LYS A 108 -5.471 -3.252 -15.268 1.00 0.00 C ATOM 742 NZ LYS A 108 -5.779 -3.905 -16.573 1.00 0.00 N ATOM 0 H LYS A 108 -3.931 -0.406 -12.274 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.144 2.222 -13.058 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -6.677 0.630 -14.412 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.038 0.842 -14.997 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.352 -1.260 -13.775 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -6.010 -1.480 -13.251 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -6.762 -1.559 -15.644 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -5.108 -1.324 -16.175 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -4.434 -3.440 -14.991 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -6.093 -3.678 -14.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -5.609 -4.928 -16.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -6.775 -3.737 -16.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -5.167 -3.506 -17.314 1.00 0.00 H new ATOM 756 N LYS A 109 -7.569 1.271 -12.199 1.00 0.00 N ATOM 757 CA LYS A 109 -8.718 1.123 -11.262 1.00 0.00 C ATOM 758 C LYS A 109 -8.915 -0.350 -10.897 1.00 0.00 C ATOM 759 O LYS A 109 -9.159 -0.693 -9.756 1.00 0.00 O ATOM 760 CB LYS A 109 -9.986 1.634 -11.947 1.00 0.00 C ATOM 761 CG LYS A 109 -9.905 3.153 -12.136 1.00 0.00 C ATOM 762 CD LYS A 109 -11.135 3.653 -12.918 1.00 0.00 C ATOM 763 CE LYS A 109 -12.315 3.860 -11.962 1.00 0.00 C ATOM 764 NZ LYS A 109 -11.928 4.836 -10.905 1.00 0.00 N ATOM 0 H LYS A 109 -7.813 1.635 -13.120 1.00 0.00 H new ATOM 0 HA LYS A 109 -8.516 1.695 -10.356 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -10.109 1.145 -12.913 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -10.860 1.380 -11.348 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -9.856 3.646 -11.165 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -8.992 3.413 -12.672 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -10.898 4.589 -13.425 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -11.404 2.932 -13.690 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -13.183 4.226 -12.511 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -12.602 2.911 -11.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -12.778 5.322 -10.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -11.467 4.333 -10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -11.269 5.535 -11.303 1.00 0.00 H new ATOM 778 N HIS A 110 -8.822 -1.219 -11.868 1.00 0.00 N ATOM 779 CA HIS A 110 -9.013 -2.677 -11.606 1.00 0.00 C ATOM 780 C HIS A 110 -7.870 -3.210 -10.734 1.00 0.00 C ATOM 781 O HIS A 110 -8.077 -4.007 -9.837 1.00 0.00 O ATOM 782 CB HIS A 110 -9.021 -3.427 -12.940 1.00 0.00 C ATOM 783 CG HIS A 110 -10.294 -3.127 -13.683 1.00 0.00 C ATOM 784 ND1 HIS A 110 -11.474 -3.807 -13.427 1.00 0.00 N ATOM 785 CD2 HIS A 110 -10.590 -2.225 -14.675 1.00 0.00 C ATOM 786 CE1 HIS A 110 -12.418 -3.307 -14.247 1.00 0.00 C ATOM 787 NE2 HIS A 110 -11.931 -2.341 -15.030 1.00 0.00 N ATOM 0 H HIS A 110 -8.620 -0.980 -12.839 1.00 0.00 H new ATOM 0 HA HIS A 110 -9.958 -2.828 -11.085 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -8.160 -3.131 -13.540 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -8.934 -4.499 -12.766 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -9.889 -1.531 -15.113 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -13.443 -3.646 -14.269 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -12.434 -1.804 -15.736 1.00 0.00 H new ATOM 795 N ASP A 111 -6.667 -2.782 -11.003 1.00 0.00 N ATOM 796 CA ASP A 111 -5.493 -3.258 -10.212 1.00 0.00 C ATOM 797 C ASP A 111 -5.642 -2.825 -8.750 1.00 0.00 C ATOM 798 O ASP A 111 -5.380 -3.581 -7.834 1.00 0.00 O ATOM 799 CB ASP A 111 -4.215 -2.644 -10.793 1.00 0.00 C ATOM 800 CG ASP A 111 -3.007 -3.099 -9.974 1.00 0.00 C ATOM 801 OD1 ASP A 111 -3.166 -4.015 -9.185 1.00 0.00 O ATOM 802 OD2 ASP A 111 -1.946 -2.524 -10.150 1.00 0.00 O ATOM 0 H ASP A 111 -6.444 -2.117 -11.743 1.00 0.00 H new ATOM 0 HA ASP A 111 -5.440 -4.346 -10.261 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -4.096 -2.946 -11.834 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -4.285 -1.556 -10.782 1.00 0.00 H new ATOM 807 N TYR A 112 -6.061 -1.608 -8.533 1.00 0.00 N ATOM 808 CA TYR A 112 -6.235 -1.101 -7.139 1.00 0.00 C ATOM 809 C TYR A 112 -7.307 -1.923 -6.418 1.00 0.00 C ATOM 810 O TYR A 112 -7.151 -2.310 -5.273 1.00 0.00 O ATOM 811 CB TYR A 112 -6.666 0.366 -7.188 1.00 0.00 C ATOM 812 CG TYR A 112 -6.935 0.858 -5.785 1.00 0.00 C ATOM 813 CD1 TYR A 112 -5.867 1.069 -4.906 1.00 0.00 C ATOM 814 CD2 TYR A 112 -8.247 1.101 -5.363 1.00 0.00 C ATOM 815 CE1 TYR A 112 -6.110 1.524 -3.605 1.00 0.00 C ATOM 816 CE2 TYR A 112 -8.491 1.556 -4.062 1.00 0.00 C ATOM 817 CZ TYR A 112 -7.424 1.768 -3.183 1.00 0.00 C ATOM 818 OH TYR A 112 -7.663 2.217 -1.900 1.00 0.00 O ATOM 0 H TYR A 112 -6.292 -0.937 -9.266 1.00 0.00 H new ATOM 0 HA TYR A 112 -5.292 -1.191 -6.600 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -5.887 0.970 -7.654 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -7.561 0.473 -7.800 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -4.855 0.881 -5.232 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -9.071 0.937 -6.041 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -5.286 1.687 -2.927 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -9.504 1.743 -3.737 1.00 0.00 H new ATOM 0 HH TYR A 112 -7.028 2.930 -1.679 1.00 0.00 H new ATOM 828 N GLN A 113 -8.395 -2.189 -7.088 1.00 0.00 N ATOM 829 CA GLN A 113 -9.496 -2.981 -6.464 1.00 0.00 C ATOM 830 C GLN A 113 -8.980 -4.385 -6.139 1.00 0.00 C ATOM 831 O GLN A 113 -9.323 -4.972 -5.130 1.00 0.00 O ATOM 832 CB GLN A 113 -10.660 -3.086 -7.456 1.00 0.00 C ATOM 833 CG GLN A 113 -11.863 -3.758 -6.787 1.00 0.00 C ATOM 834 CD GLN A 113 -12.410 -2.855 -5.679 1.00 0.00 C ATOM 835 OE1 GLN A 113 -12.488 -1.654 -5.837 1.00 0.00 O ATOM 836 NE2 GLN A 113 -12.791 -3.391 -4.551 1.00 0.00 N ATOM 0 H GLN A 113 -8.571 -1.890 -8.047 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.834 -2.493 -5.550 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -10.938 -2.093 -7.809 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -10.352 -3.660 -8.330 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -12.640 -3.954 -7.526 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -11.569 -4.722 -6.371 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -12.726 -4.400 -4.418 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -13.154 -2.801 -3.803 1.00 0.00 H new ATOM 845 N ARG A 114 -8.153 -4.920 -6.997 1.00 0.00 N ATOM 846 CA ARG A 114 -7.594 -6.287 -6.769 1.00 0.00 C ATOM 847 C ARG A 114 -6.781 -6.300 -5.473 1.00 0.00 C ATOM 848 O ARG A 114 -6.854 -7.229 -4.690 1.00 0.00 O ATOM 849 CB ARG A 114 -6.689 -6.669 -7.947 1.00 0.00 C ATOM 850 CG ARG A 114 -6.176 -8.101 -7.755 1.00 0.00 C ATOM 851 CD ARG A 114 -5.396 -8.552 -8.998 1.00 0.00 C ATOM 852 NE ARG A 114 -4.175 -7.712 -9.162 1.00 0.00 N ATOM 853 CZ ARG A 114 -3.423 -7.832 -10.229 1.00 0.00 C ATOM 854 NH1 ARG A 114 -3.734 -8.686 -11.168 1.00 0.00 N ATOM 855 NH2 ARG A 114 -2.357 -7.092 -10.355 1.00 0.00 N ATOM 0 H ARG A 114 -7.837 -4.465 -7.854 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.410 -7.005 -6.689 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -7.241 -6.592 -8.884 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -5.850 -5.977 -8.014 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -5.534 -8.151 -6.875 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -7.014 -8.775 -7.577 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -5.116 -9.601 -8.902 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -6.026 -8.470 -9.883 1.00 0.00 H new ATOM 0 HE ARG A 114 -3.923 -7.039 -8.438 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -4.568 -9.266 -11.074 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -3.143 -8.773 -11.995 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -2.111 -6.423 -9.625 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -1.769 -7.182 -11.183 1.00 0.00 H new ATOM 869 N PHE A 115 -6.006 -5.277 -5.242 1.00 0.00 N ATOM 870 CA PHE A 115 -5.185 -5.223 -3.999 1.00 0.00 C ATOM 871 C PHE A 115 -6.102 -5.252 -2.775 1.00 0.00 C ATOM 872 O PHE A 115 -5.850 -5.957 -1.817 1.00 0.00 O ATOM 873 CB PHE A 115 -4.360 -3.932 -3.981 1.00 0.00 C ATOM 874 CG PHE A 115 -3.613 -3.839 -2.669 1.00 0.00 C ATOM 875 CD1 PHE A 115 -2.608 -4.765 -2.372 1.00 0.00 C ATOM 876 CD2 PHE A 115 -3.932 -2.833 -1.745 1.00 0.00 C ATOM 877 CE1 PHE A 115 -1.920 -4.687 -1.156 1.00 0.00 C ATOM 878 CE2 PHE A 115 -3.245 -2.757 -0.528 1.00 0.00 C ATOM 879 CZ PHE A 115 -2.238 -3.683 -0.234 1.00 0.00 C ATOM 0 H PHE A 115 -5.905 -4.473 -5.862 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.516 -6.084 -3.975 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -3.658 -3.923 -4.815 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -5.012 -3.067 -4.104 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.363 -5.541 -3.082 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -4.708 -2.117 -1.973 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -1.143 -5.402 -0.929 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.492 -1.984 0.184 1.00 0.00 H new ATOM 0 HZ PHE A 115 -1.706 -3.623 0.704 1.00 0.00 H new ATOM 889 N VAL A 116 -7.161 -4.488 -2.803 1.00 0.00 N ATOM 890 CA VAL A 116 -8.103 -4.456 -1.644 1.00 0.00 C ATOM 891 C VAL A 116 -8.691 -5.853 -1.429 1.00 0.00 C ATOM 892 O VAL A 116 -8.760 -6.352 -0.321 1.00 0.00 O ATOM 893 CB VAL A 116 -9.235 -3.468 -1.943 1.00 0.00 C ATOM 894 CG1 VAL A 116 -10.294 -3.543 -0.839 1.00 0.00 C ATOM 895 CG2 VAL A 116 -8.667 -2.048 -2.009 1.00 0.00 C ATOM 0 H VAL A 116 -7.416 -3.881 -3.582 1.00 0.00 H new ATOM 0 HA VAL A 116 -7.570 -4.143 -0.746 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.693 -3.724 -2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -11.097 -2.838 -1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -10.701 -4.553 -0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -9.839 -3.291 0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -9.471 -1.344 -2.222 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -8.207 -1.795 -1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -7.918 -1.992 -2.799 1.00 0.00 H new ATOM 905 N ASP A 117 -9.111 -6.485 -2.490 1.00 0.00 N ATOM 906 CA ASP A 117 -9.693 -7.855 -2.382 1.00 0.00 C ATOM 907 C ASP A 117 -8.607 -8.838 -1.935 1.00 0.00 C ATOM 908 O ASP A 117 -8.859 -9.779 -1.206 1.00 0.00 O ATOM 909 CB ASP A 117 -10.234 -8.274 -3.752 1.00 0.00 C ATOM 910 CG ASP A 117 -10.848 -9.673 -3.664 1.00 0.00 C ATOM 911 OD1 ASP A 117 -10.745 -10.280 -2.612 1.00 0.00 O ATOM 912 OD2 ASP A 117 -11.414 -10.110 -4.652 1.00 0.00 O ATOM 0 H ASP A 117 -9.076 -6.108 -3.437 1.00 0.00 H new ATOM 0 HA ASP A 117 -10.501 -7.858 -1.651 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -10.984 -7.559 -4.091 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -9.430 -8.266 -4.488 1.00 0.00 H new ATOM 917 N ASP A 118 -7.396 -8.626 -2.383 1.00 0.00 N ATOM 918 CA ASP A 118 -6.274 -9.539 -2.010 1.00 0.00 C ATOM 919 C ASP A 118 -6.074 -9.534 -0.491 1.00 0.00 C ATOM 920 O ASP A 118 -5.951 -10.571 0.135 1.00 0.00 O ATOM 921 CB ASP A 118 -4.989 -9.048 -2.683 1.00 0.00 C ATOM 922 CG ASP A 118 -3.832 -9.989 -2.335 1.00 0.00 C ATOM 923 OD1 ASP A 118 -4.032 -10.861 -1.507 1.00 0.00 O ATOM 924 OD2 ASP A 118 -2.766 -9.816 -2.902 1.00 0.00 O ATOM 0 H ASP A 118 -7.135 -7.854 -2.996 1.00 0.00 H new ATOM 0 HA ASP A 118 -6.511 -10.551 -2.337 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -5.125 -9.008 -3.764 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -4.758 -8.035 -2.353 1.00 0.00 H new ATOM 929 N ILE A 119 -6.030 -8.370 0.101 1.00 0.00 N ATOM 930 CA ILE A 119 -5.826 -8.276 1.579 1.00 0.00 C ATOM 931 C ILE A 119 -7.115 -8.649 2.315 1.00 0.00 C ATOM 932 O ILE A 119 -7.094 -9.043 3.466 1.00 0.00 O ATOM 933 CB ILE A 119 -5.420 -6.844 1.950 1.00 0.00 C ATOM 934 CG1 ILE A 119 -6.494 -5.854 1.475 1.00 0.00 C ATOM 935 CG2 ILE A 119 -4.083 -6.501 1.289 1.00 0.00 C ATOM 936 CD1 ILE A 119 -6.136 -4.440 1.944 1.00 0.00 C ATOM 0 H ILE A 119 -6.127 -7.474 -0.377 1.00 0.00 H new ATOM 0 HA ILE A 119 -5.037 -8.969 1.873 1.00 0.00 H new ATOM 0 HB ILE A 119 -5.321 -6.773 3.033 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -6.570 -5.879 0.388 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -7.468 -6.143 1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -3.797 -5.483 1.554 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -3.317 -7.195 1.635 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -4.182 -6.580 0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -6.900 -3.740 1.605 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -6.083 -4.420 3.033 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -5.170 -4.152 1.528 1.00 0.00 H new ATOM 948 N SER A 120 -8.239 -8.518 1.663 1.00 0.00 N ATOM 949 CA SER A 120 -9.534 -8.852 2.323 1.00 0.00 C ATOM 950 C SER A 120 -9.545 -10.332 2.710 1.00 0.00 C ATOM 951 O SER A 120 -10.097 -10.720 3.723 1.00 0.00 O ATOM 952 CB SER A 120 -10.688 -8.572 1.358 1.00 0.00 C ATOM 953 OG SER A 120 -10.677 -9.541 0.314 1.00 0.00 O ATOM 0 H SER A 120 -8.316 -8.193 0.699 1.00 0.00 H new ATOM 0 HA SER A 120 -9.651 -8.241 3.218 1.00 0.00 H new ATOM 0 HB2 SER A 120 -11.638 -8.606 1.891 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.592 -7.570 0.940 1.00 0.00 H new ATOM 0 HG SER A 120 -9.752 -9.718 0.041 1.00 0.00 H new ATOM 959 N ALA A 121 -8.938 -11.156 1.902 1.00 0.00 N ATOM 960 CA ALA A 121 -8.901 -12.617 2.197 1.00 0.00 C ATOM 961 C ALA A 121 -7.772 -12.916 3.182 1.00 0.00 C ATOM 962 O ALA A 121 -7.652 -14.016 3.690 1.00 0.00 O ATOM 963 CB ALA A 121 -8.652 -13.383 0.896 1.00 0.00 C ATOM 0 H ALA A 121 -8.462 -10.878 1.043 1.00 0.00 H new ATOM 0 HA ALA A 121 -9.851 -12.924 2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -8.624 -14.453 1.103 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -9.455 -13.171 0.190 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -7.700 -13.071 0.467 1.00 0.00 H new ATOM 969 N GLN A 122 -6.937 -11.943 3.453 1.00 0.00 N ATOM 970 CA GLN A 122 -5.798 -12.151 4.403 1.00 0.00 C ATOM 971 C GLN A 122 -6.029 -11.318 5.666 1.00 0.00 C ATOM 972 O GLN A 122 -5.429 -11.559 6.696 1.00 0.00 O ATOM 973 CB GLN A 122 -4.498 -11.706 3.729 1.00 0.00 C ATOM 974 CG GLN A 122 -4.250 -12.560 2.483 1.00 0.00 C ATOM 975 CD GLN A 122 -4.038 -14.019 2.891 1.00 0.00 C ATOM 976 OE1 GLN A 122 -3.197 -14.317 3.716 1.00 0.00 O ATOM 977 NE2 GLN A 122 -4.776 -14.949 2.346 1.00 0.00 N ATOM 0 H GLN A 122 -6.996 -11.006 3.054 1.00 0.00 H new ATOM 0 HA GLN A 122 -5.731 -13.205 4.673 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -4.560 -10.653 3.455 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -3.664 -11.806 4.423 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -5.098 -12.482 1.803 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -3.376 -12.192 1.946 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -5.482 -14.699 1.653 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -4.646 -15.925 2.613 1.00 0.00 H new ATOM 986 N TYR A 123 -6.893 -10.334 5.592 1.00 0.00 N ATOM 987 CA TYR A 123 -7.169 -9.469 6.785 1.00 0.00 C ATOM 988 C TYR A 123 -8.673 -9.237 6.937 1.00 0.00 C ATOM 989 O TYR A 123 -9.432 -9.325 5.990 1.00 0.00 O ATOM 990 CB TYR A 123 -6.467 -8.124 6.622 1.00 0.00 C ATOM 991 CG TYR A 123 -4.974 -8.329 6.629 1.00 0.00 C ATOM 992 CD1 TYR A 123 -4.273 -8.306 7.840 1.00 0.00 C ATOM 993 CD2 TYR A 123 -4.290 -8.541 5.427 1.00 0.00 C ATOM 994 CE1 TYR A 123 -2.886 -8.494 7.850 1.00 0.00 C ATOM 995 CE2 TYR A 123 -2.902 -8.729 5.436 1.00 0.00 C ATOM 996 CZ TYR A 123 -2.200 -8.707 6.648 1.00 0.00 C ATOM 997 OH TYR A 123 -0.834 -8.894 6.658 1.00 0.00 O ATOM 0 H TYR A 123 -7.421 -10.091 4.754 1.00 0.00 H new ATOM 0 HA TYR A 123 -6.793 -9.974 7.675 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -6.775 -7.652 5.689 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -6.756 -7.451 7.430 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -4.802 -8.143 8.767 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -4.832 -8.560 4.493 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -2.345 -8.475 8.785 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -2.373 -8.891 4.508 1.00 0.00 H new ATOM 0 HH TYR A 123 -0.516 -9.029 5.741 1.00 0.00 H new ATOM 1007 N SER A 124 -9.095 -8.947 8.138 1.00 0.00 N ATOM 1008 CA SER A 124 -10.543 -8.711 8.406 1.00 0.00 C ATOM 1009 C SER A 124 -10.977 -7.343 7.883 1.00 0.00 C ATOM 1010 O SER A 124 -10.174 -6.519 7.487 1.00 0.00 O ATOM 1011 CB SER A 124 -10.795 -8.775 9.913 1.00 0.00 C ATOM 1012 OG SER A 124 -10.515 -7.506 10.492 1.00 0.00 O ATOM 0 H SER A 124 -8.490 -8.863 8.955 1.00 0.00 H new ATOM 0 HA SER A 124 -11.120 -9.480 7.893 1.00 0.00 H new ATOM 0 HB2 SER A 124 -11.830 -9.056 10.108 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.166 -9.541 10.366 1.00 0.00 H new ATOM 0 HG SER A 124 -10.677 -7.544 11.458 1.00 0.00 H new ATOM 1018 N LYS A 125 -12.260 -7.112 7.882 1.00 0.00 N ATOM 1019 CA LYS A 125 -12.803 -5.820 7.384 1.00 0.00 C ATOM 1020 C LYS A 125 -12.220 -4.655 8.185 1.00 0.00 C ATOM 1021 O LYS A 125 -11.878 -3.621 7.641 1.00 0.00 O ATOM 1022 CB LYS A 125 -14.328 -5.826 7.553 1.00 0.00 C ATOM 1023 CG LYS A 125 -14.935 -4.519 7.021 1.00 0.00 C ATOM 1024 CD LYS A 125 -14.670 -4.400 5.515 1.00 0.00 C ATOM 1025 CE LYS A 125 -15.650 -3.411 4.894 1.00 0.00 C ATOM 1026 NZ LYS A 125 -17.028 -3.971 4.972 1.00 0.00 N ATOM 0 H LYS A 125 -12.964 -7.773 8.210 1.00 0.00 H new ATOM 0 HA LYS A 125 -12.535 -5.700 6.334 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -14.755 -6.675 7.020 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -14.582 -5.950 8.606 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -16.008 -4.500 7.214 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -14.502 -3.666 7.544 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -13.646 -4.069 5.342 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -14.774 -5.376 5.040 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -15.603 -2.456 5.418 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -15.381 -3.218 3.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -17.596 -3.607 4.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -16.985 -5.009 4.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -17.467 -3.689 5.872 1.00 0.00 H new ATOM 1040 N ASN A 126 -12.125 -4.810 9.476 1.00 0.00 N ATOM 1041 CA ASN A 126 -11.587 -3.713 10.333 1.00 0.00 C ATOM 1042 C ASN A 126 -10.136 -3.410 9.946 1.00 0.00 C ATOM 1043 O ASN A 126 -9.736 -2.267 9.825 1.00 0.00 O ATOM 1044 CB ASN A 126 -11.632 -4.161 11.796 1.00 0.00 C ATOM 1045 CG ASN A 126 -13.080 -4.200 12.285 1.00 0.00 C ATOM 1046 OD1 ASN A 126 -13.953 -3.607 11.685 1.00 0.00 O ATOM 1047 ND2 ASN A 126 -13.375 -4.877 13.364 1.00 0.00 N ATOM 0 H ASN A 126 -12.398 -5.654 9.979 1.00 0.00 H new ATOM 0 HA ASN A 126 -12.190 -2.815 10.194 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -11.178 -5.147 11.897 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -11.049 -3.477 12.413 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -14.337 -4.906 13.700 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -12.643 -5.376 13.869 1.00 0.00 H new ATOM 1054 N TYR A 127 -9.349 -4.430 9.752 1.00 0.00 N ATOM 1055 CA TYR A 127 -7.921 -4.227 9.368 1.00 0.00 C ATOM 1056 C TYR A 127 -7.840 -3.713 7.927 1.00 0.00 C ATOM 1057 O TYR A 127 -6.984 -2.920 7.583 1.00 0.00 O ATOM 1058 CB TYR A 127 -7.175 -5.562 9.486 1.00 0.00 C ATOM 1059 CG TYR A 127 -6.770 -5.797 10.922 1.00 0.00 C ATOM 1060 CD1 TYR A 127 -5.657 -5.133 11.446 1.00 0.00 C ATOM 1061 CD2 TYR A 127 -7.507 -6.671 11.729 1.00 0.00 C ATOM 1062 CE1 TYR A 127 -5.280 -5.342 12.777 1.00 0.00 C ATOM 1063 CE2 TYR A 127 -7.132 -6.880 13.059 1.00 0.00 C ATOM 1064 CZ TYR A 127 -6.018 -6.215 13.584 1.00 0.00 C ATOM 1065 OH TYR A 127 -5.647 -6.421 14.896 1.00 0.00 O ATOM 0 H TYR A 127 -9.635 -5.405 9.843 1.00 0.00 H new ATOM 0 HA TYR A 127 -7.464 -3.493 10.032 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -7.812 -6.376 9.140 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -6.292 -5.554 8.846 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -5.088 -4.459 10.823 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -8.366 -7.184 11.324 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -4.420 -4.830 13.182 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -7.702 -7.554 13.681 1.00 0.00 H new ATOM 0 HH TYR A 127 -6.266 -7.055 15.315 1.00 0.00 H new ATOM 1075 N VAL A 128 -8.723 -4.171 7.085 1.00 0.00 N ATOM 1076 CA VAL A 128 -8.712 -3.735 5.656 1.00 0.00 C ATOM 1077 C VAL A 128 -8.939 -2.222 5.569 1.00 0.00 C ATOM 1078 O VAL A 128 -8.284 -1.525 4.815 1.00 0.00 O ATOM 1079 CB VAL A 128 -9.838 -4.463 4.903 1.00 0.00 C ATOM 1080 CG1 VAL A 128 -10.065 -3.802 3.535 1.00 0.00 C ATOM 1081 CG2 VAL A 128 -9.457 -5.940 4.701 1.00 0.00 C ATOM 0 H VAL A 128 -9.459 -4.835 7.325 1.00 0.00 H new ATOM 0 HA VAL A 128 -7.747 -3.976 5.210 1.00 0.00 H new ATOM 0 HB VAL A 128 -10.755 -4.401 5.489 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -10.864 -4.323 3.007 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -10.345 -2.758 3.677 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -9.148 -3.855 2.948 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -10.257 -6.452 4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -8.536 -6.002 4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -9.307 -6.413 5.671 1.00 0.00 H new ATOM 1091 N ASP A 129 -9.877 -1.720 6.323 1.00 0.00 N ATOM 1092 CA ASP A 129 -10.181 -0.261 6.284 1.00 0.00 C ATOM 1093 C ASP A 129 -8.906 0.548 6.545 1.00 0.00 C ATOM 1094 O ASP A 129 -8.597 1.489 5.836 1.00 0.00 O ATOM 1095 CB ASP A 129 -11.217 0.054 7.366 1.00 0.00 C ATOM 1096 CG ASP A 129 -11.535 1.551 7.362 1.00 0.00 C ATOM 1097 OD1 ASP A 129 -10.882 2.273 6.628 1.00 0.00 O ATOM 1098 OD2 ASP A 129 -12.426 1.948 8.095 1.00 0.00 O ATOM 0 H ASP A 129 -10.451 -2.262 6.970 1.00 0.00 H new ATOM 0 HA ASP A 129 -10.572 0.005 5.302 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -12.126 -0.520 7.189 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -10.837 -0.243 8.343 1.00 0.00 H new ATOM 1103 N SER A 130 -8.167 0.188 7.557 1.00 0.00 N ATOM 1104 CA SER A 130 -6.905 0.922 7.873 1.00 0.00 C ATOM 1105 C SER A 130 -5.894 0.732 6.738 1.00 0.00 C ATOM 1106 O SER A 130 -5.210 1.654 6.334 1.00 0.00 O ATOM 1107 CB SER A 130 -6.315 0.375 9.169 1.00 0.00 C ATOM 1108 OG SER A 130 -5.128 1.090 9.480 1.00 0.00 O ATOM 0 H SER A 130 -8.382 -0.587 8.184 1.00 0.00 H new ATOM 0 HA SER A 130 -7.125 1.984 7.985 1.00 0.00 H new ATOM 0 HB2 SER A 130 -7.036 0.473 9.981 1.00 0.00 H new ATOM 0 HB3 SER A 130 -6.097 -0.688 9.063 1.00 0.00 H new ATOM 0 HG SER A 130 -5.313 1.736 10.193 1.00 0.00 H new ATOM 1114 N ILE A 131 -5.795 -0.467 6.234 1.00 0.00 N ATOM 1115 CA ILE A 131 -4.833 -0.755 5.129 1.00 0.00 C ATOM 1116 C ILE A 131 -5.227 0.046 3.887 1.00 0.00 C ATOM 1117 O ILE A 131 -4.395 0.610 3.202 1.00 0.00 O ATOM 1118 CB ILE A 131 -4.865 -2.252 4.803 1.00 0.00 C ATOM 1119 CG1 ILE A 131 -4.287 -3.044 5.979 1.00 0.00 C ATOM 1120 CG2 ILE A 131 -4.031 -2.521 3.547 1.00 0.00 C ATOM 1121 CD1 ILE A 131 -4.597 -4.533 5.800 1.00 0.00 C ATOM 0 H ILE A 131 -6.345 -1.269 6.543 1.00 0.00 H new ATOM 0 HA ILE A 131 -3.827 -0.471 5.439 1.00 0.00 H new ATOM 0 HB ILE A 131 -5.895 -2.562 4.627 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -3.209 -2.891 6.038 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -4.712 -2.684 6.916 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -4.054 -3.586 3.316 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -4.443 -1.959 2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -3.001 -2.210 3.721 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -4.184 -5.094 6.639 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -5.677 -4.678 5.763 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -4.151 -4.888 4.871 1.00 0.00 H new ATOM 1133 N VAL A 132 -6.497 0.085 3.593 1.00 0.00 N ATOM 1134 CA VAL A 132 -6.973 0.833 2.396 1.00 0.00 C ATOM 1135 C VAL A 132 -6.590 2.310 2.532 1.00 0.00 C ATOM 1136 O VAL A 132 -6.091 2.924 1.606 1.00 0.00 O ATOM 1137 CB VAL A 132 -8.501 0.707 2.307 1.00 0.00 C ATOM 1138 CG1 VAL A 132 -9.045 1.687 1.260 1.00 0.00 C ATOM 1139 CG2 VAL A 132 -8.878 -0.725 1.910 1.00 0.00 C ATOM 0 H VAL A 132 -7.230 -0.372 4.135 1.00 0.00 H new ATOM 0 HA VAL A 132 -6.514 0.423 1.496 1.00 0.00 H new ATOM 0 HB VAL A 132 -8.935 0.941 3.279 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -10.129 1.592 1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -8.784 2.706 1.546 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -8.608 1.460 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -9.963 -0.812 1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -8.439 -0.962 0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -8.501 -1.421 2.659 1.00 0.00 H new ATOM 1149 N ALA A 133 -6.828 2.880 3.682 1.00 0.00 N ATOM 1150 CA ALA A 133 -6.491 4.319 3.902 1.00 0.00 C ATOM 1151 C ALA A 133 -4.977 4.518 3.803 1.00 0.00 C ATOM 1152 O ALA A 133 -4.499 5.475 3.222 1.00 0.00 O ATOM 1153 CB ALA A 133 -6.959 4.731 5.299 1.00 0.00 C ATOM 0 H ALA A 133 -7.244 2.409 4.485 1.00 0.00 H new ATOM 0 HA ALA A 133 -6.985 4.928 3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -6.717 5.780 5.469 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -8.037 4.589 5.378 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -6.457 4.117 6.047 1.00 0.00 H new ATOM 1159 N SER A 134 -4.221 3.618 4.372 1.00 0.00 N ATOM 1160 CA SER A 134 -2.734 3.735 4.322 1.00 0.00 C ATOM 1161 C SER A 134 -2.259 3.617 2.872 1.00 0.00 C ATOM 1162 O SER A 134 -1.404 4.356 2.418 1.00 0.00 O ATOM 1163 CB SER A 134 -2.120 2.614 5.162 1.00 0.00 C ATOM 1164 OG SER A 134 -0.743 2.472 4.832 1.00 0.00 O ATOM 0 H SER A 134 -4.572 2.801 4.873 1.00 0.00 H new ATOM 0 HA SER A 134 -2.424 4.702 4.719 1.00 0.00 H new ATOM 0 HB2 SER A 134 -2.229 2.839 6.223 1.00 0.00 H new ATOM 0 HB3 SER A 134 -2.647 1.678 4.979 1.00 0.00 H new ATOM 0 HG SER A 134 -0.334 3.358 4.748 1.00 0.00 H new ATOM 1170 N THR A 135 -2.812 2.682 2.148 1.00 0.00 N ATOM 1171 CA THR A 135 -2.411 2.482 0.726 1.00 0.00 C ATOM 1172 C THR A 135 -2.735 3.738 -0.091 1.00 0.00 C ATOM 1173 O THR A 135 -1.953 4.187 -0.913 1.00 0.00 O ATOM 1174 CB THR A 135 -3.181 1.292 0.142 1.00 0.00 C ATOM 1175 OG1 THR A 135 -3.141 0.212 1.065 1.00 0.00 O ATOM 1176 CG2 THR A 135 -2.538 0.850 -1.183 1.00 0.00 C ATOM 0 H THR A 135 -3.531 2.042 2.484 1.00 0.00 H new ATOM 0 HA THR A 135 -1.339 2.289 0.683 1.00 0.00 H new ATOM 0 HB THR A 135 -4.214 1.587 -0.042 1.00 0.00 H new ATOM 0 HG1 THR A 135 -3.899 0.281 1.682 1.00 0.00 H new ATOM 0 HG21 THR A 135 -3.091 0.004 -1.591 1.00 0.00 H new ATOM 0 HG22 THR A 135 -2.563 1.677 -1.893 1.00 0.00 H new ATOM 0 HG23 THR A 135 -1.504 0.556 -1.005 1.00 0.00 H new ATOM 1184 N ASN A 136 -3.891 4.305 0.134 1.00 0.00 N ATOM 1185 CA ASN A 136 -4.294 5.532 -0.618 1.00 0.00 C ATOM 1186 C ASN A 136 -3.296 6.655 -0.331 1.00 0.00 C ATOM 1187 O ASN A 136 -2.943 7.430 -1.201 1.00 0.00 O ATOM 1188 CB ASN A 136 -5.691 5.976 -0.173 1.00 0.00 C ATOM 1189 CG ASN A 136 -6.746 4.999 -0.705 1.00 0.00 C ATOM 1190 OD1 ASN A 136 -6.495 4.261 -1.635 1.00 0.00 O ATOM 1191 ND2 ASN A 136 -7.930 4.971 -0.150 1.00 0.00 N ATOM 0 H ASN A 136 -4.578 3.970 0.810 1.00 0.00 H new ATOM 0 HA ASN A 136 -4.305 5.311 -1.685 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -5.739 6.018 0.915 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -5.896 6.981 -0.541 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -8.642 4.329 -0.499 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -8.142 5.591 0.632 1.00 0.00 H new ATOM 1198 N MET A 137 -2.848 6.747 0.891 1.00 0.00 N ATOM 1199 CA MET A 137 -1.878 7.815 1.273 1.00 0.00 C ATOM 1200 C MET A 137 -0.566 7.631 0.504 1.00 0.00 C ATOM 1201 O MET A 137 0.082 8.589 0.122 1.00 0.00 O ATOM 1202 CB MET A 137 -1.600 7.727 2.776 1.00 0.00 C ATOM 1203 CG MET A 137 -2.795 8.286 3.550 1.00 0.00 C ATOM 1204 SD MET A 137 -2.510 8.094 5.330 1.00 0.00 S ATOM 1205 CE MET A 137 -1.179 9.312 5.492 1.00 0.00 C ATOM 0 H MET A 137 -3.115 6.121 1.651 1.00 0.00 H new ATOM 0 HA MET A 137 -2.301 8.789 1.029 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.420 6.691 3.063 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.699 8.288 3.023 1.00 0.00 H new ATOM 0 HG2 MET A 137 -2.939 9.339 3.306 1.00 0.00 H new ATOM 0 HG3 MET A 137 -3.706 7.764 3.259 1.00 0.00 H new ATOM 0 HE1 MET A 137 -1.149 9.684 6.516 1.00 0.00 H new ATOM 0 HE2 MET A 137 -0.226 8.844 5.247 1.00 0.00 H new ATOM 0 HE3 MET A 137 -1.361 10.143 4.810 1.00 0.00 H new ATOM 1215 N ILE A 138 -0.161 6.407 0.286 1.00 0.00 N ATOM 1216 CA ILE A 138 1.117 6.160 -0.444 1.00 0.00 C ATOM 1217 C ILE A 138 1.007 6.714 -1.869 1.00 0.00 C ATOM 1218 O ILE A 138 1.901 7.376 -2.364 1.00 0.00 O ATOM 1219 CB ILE A 138 1.372 4.647 -0.517 1.00 0.00 C ATOM 1220 CG1 ILE A 138 1.658 4.109 0.889 1.00 0.00 C ATOM 1221 CG2 ILE A 138 2.574 4.368 -1.427 1.00 0.00 C ATOM 1222 CD1 ILE A 138 1.712 2.578 0.860 1.00 0.00 C ATOM 0 H ILE A 138 -0.660 5.568 0.582 1.00 0.00 H new ATOM 0 HA ILE A 138 1.936 6.652 0.080 1.00 0.00 H new ATOM 0 HB ILE A 138 0.490 4.152 -0.924 1.00 0.00 H new ATOM 0 HG12 ILE A 138 2.604 4.508 1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 138 0.883 4.441 1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 138 2.752 3.294 -1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 138 2.369 4.748 -2.428 1.00 0.00 H new ATOM 0 HG23 ILE A 138 3.458 4.864 -1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.916 2.202 1.863 1.00 0.00 H new ATOM 0 HD12 ILE A 138 0.756 2.187 0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 138 2.503 2.255 0.184 1.00 0.00 H new ATOM 1234 N PHE A 139 -0.089 6.443 -2.525 1.00 0.00 N ATOM 1235 CA PHE A 139 -0.276 6.944 -3.918 1.00 0.00 C ATOM 1236 C PHE A 139 -0.404 8.465 -3.895 1.00 0.00 C ATOM 1237 O PHE A 139 0.124 9.163 -4.740 1.00 0.00 O ATOM 1238 CB PHE A 139 -1.555 6.337 -4.511 1.00 0.00 C ATOM 1239 CG PHE A 139 -1.425 4.828 -4.622 1.00 0.00 C ATOM 1240 CD1 PHE A 139 -0.347 4.258 -5.315 1.00 0.00 C ATOM 1241 CD2 PHE A 139 -2.388 3.994 -4.033 1.00 0.00 C ATOM 1242 CE1 PHE A 139 -0.232 2.871 -5.414 1.00 0.00 C ATOM 1243 CE2 PHE A 139 -2.270 2.603 -4.136 1.00 0.00 C ATOM 1244 CZ PHE A 139 -1.190 2.043 -4.825 1.00 0.00 C ATOM 0 H PHE A 139 -0.866 5.895 -2.155 1.00 0.00 H new ATOM 0 HA PHE A 139 0.581 6.657 -4.527 1.00 0.00 H new ATOM 0 HB2 PHE A 139 -2.409 6.589 -3.883 1.00 0.00 H new ATOM 0 HB3 PHE A 139 -1.745 6.765 -5.495 1.00 0.00 H new ATOM 0 HD1 PHE A 139 0.396 4.894 -5.773 1.00 0.00 H new ATOM 0 HD2 PHE A 139 -3.222 4.426 -3.499 1.00 0.00 H new ATOM 0 HE1 PHE A 139 0.600 2.436 -5.948 1.00 0.00 H new ATOM 0 HE2 PHE A 139 -3.013 1.963 -3.684 1.00 0.00 H new ATOM 0 HZ PHE A 139 -1.097 0.970 -4.902 1.00 0.00 H new ATOM 1254 N LYS A 140 -1.105 8.975 -2.925 1.00 0.00 N ATOM 1255 CA LYS A 140 -1.290 10.448 -2.809 1.00 0.00 C ATOM 1256 C LYS A 140 0.064 11.110 -2.566 1.00 0.00 C ATOM 1257 O LYS A 140 0.353 12.175 -3.078 1.00 0.00 O ATOM 1258 CB LYS A 140 -2.221 10.736 -1.628 1.00 0.00 C ATOM 1259 CG LYS A 140 -3.641 10.229 -1.933 1.00 0.00 C ATOM 1260 CD LYS A 140 -4.407 11.274 -2.753 1.00 0.00 C ATOM 1261 CE LYS A 140 -5.820 10.769 -3.037 1.00 0.00 C ATOM 1262 NZ LYS A 140 -6.556 11.791 -3.832 1.00 0.00 N ATOM 0 H LYS A 140 -1.564 8.428 -2.197 1.00 0.00 H new ATOM 0 HA LYS A 140 -1.724 10.844 -3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -1.840 10.252 -0.729 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -2.245 11.807 -1.428 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -3.590 9.289 -2.483 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -4.171 10.025 -1.002 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -4.450 12.217 -2.209 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -3.885 11.470 -3.690 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -5.779 9.827 -3.583 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -6.344 10.573 -2.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -7.423 12.064 -3.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -5.953 12.628 -3.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -6.806 11.395 -4.761 1.00 0.00 H new ATOM 1276 N TYR A 141 0.894 10.481 -1.781 1.00 0.00 N ATOM 1277 CA TYR A 141 2.237 11.055 -1.486 1.00 0.00 C ATOM 1278 C TYR A 141 3.023 11.210 -2.791 1.00 0.00 C ATOM 1279 O TYR A 141 3.632 12.234 -3.049 1.00 0.00 O ATOM 1280 CB TYR A 141 2.987 10.112 -0.541 1.00 0.00 C ATOM 1281 CG TYR A 141 4.385 10.631 -0.313 1.00 0.00 C ATOM 1282 CD1 TYR A 141 4.601 11.685 0.581 1.00 0.00 C ATOM 1283 CD2 TYR A 141 5.465 10.060 -0.997 1.00 0.00 C ATOM 1284 CE1 TYR A 141 5.899 12.169 0.794 1.00 0.00 C ATOM 1285 CE2 TYR A 141 6.762 10.543 -0.786 1.00 0.00 C ATOM 1286 CZ TYR A 141 6.979 11.598 0.109 1.00 0.00 C ATOM 1287 OH TYR A 141 8.256 12.076 0.318 1.00 0.00 O ATOM 0 H TYR A 141 0.698 9.588 -1.328 1.00 0.00 H new ATOM 0 HA TYR A 141 2.127 12.032 -1.016 1.00 0.00 H new ATOM 0 HB2 TYR A 141 2.457 10.035 0.409 1.00 0.00 H new ATOM 0 HB3 TYR A 141 3.025 9.109 -0.966 1.00 0.00 H new ATOM 0 HD1 TYR A 141 3.767 12.126 1.107 1.00 0.00 H new ATOM 0 HD2 TYR A 141 5.297 9.247 -1.688 1.00 0.00 H new ATOM 0 HE1 TYR A 141 6.066 12.981 1.486 1.00 0.00 H new ATOM 0 HE2 TYR A 141 7.595 10.102 -1.313 1.00 0.00 H new ATOM 0 HH TYR A 141 8.889 11.570 -0.233 1.00 0.00 H new ATOM 1297 N ALA A 142 3.011 10.200 -3.619 1.00 0.00 N ATOM 1298 CA ALA A 142 3.750 10.274 -4.914 1.00 0.00 C ATOM 1299 C ALA A 142 3.107 11.333 -5.817 1.00 0.00 C ATOM 1300 O ALA A 142 3.781 12.051 -6.538 1.00 0.00 O ATOM 1301 CB ALA A 142 3.689 8.913 -5.611 1.00 0.00 C ATOM 0 H ALA A 142 2.519 9.322 -3.454 1.00 0.00 H new ATOM 0 HA ALA A 142 4.788 10.544 -4.721 1.00 0.00 H new ATOM 0 HB1 ALA A 142 4.228 8.964 -6.557 1.00 0.00 H new ATOM 0 HB2 ALA A 142 4.147 8.157 -4.973 1.00 0.00 H new ATOM 0 HB3 ALA A 142 2.649 8.647 -5.800 1.00 0.00 H new ATOM 1307 N TYR A 143 1.805 11.429 -5.782 1.00 0.00 N ATOM 1308 CA TYR A 143 1.093 12.429 -6.631 1.00 0.00 C ATOM 1309 C TYR A 143 1.521 13.841 -6.221 1.00 0.00 C ATOM 1310 O TYR A 143 1.753 14.703 -7.048 1.00 0.00 O ATOM 1311 CB TYR A 143 -0.417 12.283 -6.435 1.00 0.00 C ATOM 1312 CG TYR A 143 -1.131 13.353 -7.226 1.00 0.00 C ATOM 1313 CD1 TYR A 143 -1.279 13.212 -8.611 1.00 0.00 C ATOM 1314 CD2 TYR A 143 -1.640 14.486 -6.580 1.00 0.00 C ATOM 1315 CE1 TYR A 143 -1.936 14.203 -9.349 1.00 0.00 C ATOM 1316 CE2 TYR A 143 -2.299 15.478 -7.319 1.00 0.00 C ATOM 1317 CZ TYR A 143 -2.446 15.335 -8.705 1.00 0.00 C ATOM 1318 OH TYR A 143 -3.094 16.312 -9.433 1.00 0.00 O ATOM 0 H TYR A 143 1.199 10.853 -5.197 1.00 0.00 H new ATOM 0 HA TYR A 143 1.343 12.259 -7.678 1.00 0.00 H new ATOM 0 HB2 TYR A 143 -0.743 11.295 -6.761 1.00 0.00 H new ATOM 0 HB3 TYR A 143 -0.668 12.369 -5.378 1.00 0.00 H new ATOM 0 HD1 TYR A 143 -0.886 12.338 -9.110 1.00 0.00 H new ATOM 0 HD2 TYR A 143 -1.525 14.596 -5.512 1.00 0.00 H new ATOM 0 HE1 TYR A 143 -2.049 14.094 -10.417 1.00 0.00 H new ATOM 0 HE2 TYR A 143 -2.693 16.351 -6.821 1.00 0.00 H new ATOM 0 HH TYR A 143 -3.387 17.028 -8.831 1.00 0.00 H new ATOM 1328 N ASP A 144 1.622 14.076 -4.940 1.00 0.00 N ATOM 1329 CA ASP A 144 2.028 15.421 -4.438 1.00 0.00 C ATOM 1330 C ASP A 144 3.461 15.728 -4.888 1.00 0.00 C ATOM 1331 O ASP A 144 3.816 16.865 -5.141 1.00 0.00 O ATOM 1332 CB ASP A 144 1.956 15.427 -2.909 1.00 0.00 C ATOM 1333 CG ASP A 144 2.057 16.864 -2.393 1.00 0.00 C ATOM 1334 OD1 ASP A 144 2.003 17.770 -3.209 1.00 0.00 O ATOM 1335 OD2 ASP A 144 2.187 17.033 -1.193 1.00 0.00 O ATOM 0 H ASP A 144 1.438 13.386 -4.212 1.00 0.00 H new ATOM 0 HA ASP A 144 1.357 16.181 -4.840 1.00 0.00 H new ATOM 0 HB2 ASP A 144 1.020 14.976 -2.578 1.00 0.00 H new ATOM 0 HB3 ASP A 144 2.764 14.824 -2.495 1.00 0.00 H new ATOM 1340 N THR A 145 4.288 14.720 -4.984 1.00 0.00 N ATOM 1341 CA THR A 145 5.702 14.944 -5.410 1.00 0.00 C ATOM 1342 C THR A 145 5.749 15.134 -6.932 1.00 0.00 C ATOM 1343 O THR A 145 6.804 15.159 -7.541 1.00 0.00 O ATOM 1344 CB THR A 145 6.550 13.734 -4.998 1.00 0.00 C ATOM 1345 OG1 THR A 145 5.897 12.536 -5.395 1.00 0.00 O ATOM 1346 CG2 THR A 145 6.732 13.734 -3.479 1.00 0.00 C ATOM 0 H THR A 145 4.045 13.749 -4.785 1.00 0.00 H new ATOM 0 HA THR A 145 6.100 15.838 -4.930 1.00 0.00 H new ATOM 0 HB THR A 145 7.524 13.793 -5.483 1.00 0.00 H new ATOM 0 HG1 THR A 145 5.297 12.724 -6.147 1.00 0.00 H new ATOM 0 HG21 THR A 145 7.334 12.875 -3.185 1.00 0.00 H new ATOM 0 HG22 THR A 145 7.235 14.651 -3.173 1.00 0.00 H new ATOM 0 HG23 THR A 145 5.757 13.676 -2.996 1.00 0.00 H new ATOM 1354 N ARG A 146 4.597 15.279 -7.539 1.00 0.00 N ATOM 1355 CA ARG A 146 4.513 15.486 -9.019 1.00 0.00 C ATOM 1356 C ARG A 146 5.214 14.342 -9.755 1.00 0.00 C ATOM 1357 O ARG A 146 5.541 14.445 -10.923 1.00 0.00 O ATOM 1358 CB ARG A 146 5.163 16.826 -9.389 1.00 0.00 C ATOM 1359 CG ARG A 146 4.352 17.973 -8.772 1.00 0.00 C ATOM 1360 CD ARG A 146 5.048 19.310 -9.050 1.00 0.00 C ATOM 1361 NE ARG A 146 5.046 19.581 -10.518 1.00 0.00 N ATOM 1362 CZ ARG A 146 4.033 20.189 -11.087 1.00 0.00 C ATOM 1363 NH1 ARG A 146 3.004 20.575 -10.377 1.00 0.00 N ATOM 1364 NH2 ARG A 146 4.055 20.415 -12.370 1.00 0.00 N ATOM 0 H ARG A 146 3.695 15.262 -7.063 1.00 0.00 H new ATOM 0 HA ARG A 146 3.465 15.500 -9.317 1.00 0.00 H new ATOM 0 HB2 ARG A 146 6.191 16.857 -9.027 1.00 0.00 H new ATOM 0 HB3 ARG A 146 5.203 16.936 -10.473 1.00 0.00 H new ATOM 0 HG2 ARG A 146 3.345 17.983 -9.189 1.00 0.00 H new ATOM 0 HG3 ARG A 146 4.251 17.822 -7.697 1.00 0.00 H new ATOM 0 HD2 ARG A 146 4.537 20.114 -8.521 1.00 0.00 H new ATOM 0 HD3 ARG A 146 6.072 19.283 -8.677 1.00 0.00 H new ATOM 0 HE ARG A 146 5.842 19.290 -11.085 1.00 0.00 H new ATOM 0 HH11 ARG A 146 2.985 20.404 -9.372 1.00 0.00 H new ATOM 0 HH12 ARG A 146 2.221 21.047 -10.829 1.00 0.00 H new ATOM 0 HH21 ARG A 146 4.857 20.119 -12.926 1.00 0.00 H new ATOM 0 HH22 ARG A 146 3.270 20.887 -12.818 1.00 0.00 H new ATOM 1378 N LEU A 147 5.425 13.243 -9.084 1.00 0.00 N ATOM 1379 CA LEU A 147 6.081 12.074 -9.739 1.00 0.00 C ATOM 1380 C LEU A 147 5.162 11.520 -10.819 1.00 0.00 C ATOM 1381 O LEU A 147 5.596 11.155 -11.895 1.00 0.00 O ATOM 1382 CB LEU A 147 6.355 10.994 -8.691 1.00 0.00 C ATOM 1383 CG LEU A 147 7.460 11.472 -7.740 1.00 0.00 C ATOM 1384 CD1 LEU A 147 7.587 10.492 -6.568 1.00 0.00 C ATOM 1385 CD2 LEU A 147 8.806 11.565 -8.489 1.00 0.00 C ATOM 0 H LEU A 147 5.170 13.103 -8.106 1.00 0.00 H new ATOM 0 HA LEU A 147 7.023 12.386 -10.191 1.00 0.00 H new ATOM 0 HB2 LEU A 147 5.446 10.778 -8.130 1.00 0.00 H new ATOM 0 HB3 LEU A 147 6.656 10.067 -9.179 1.00 0.00 H new ATOM 0 HG LEU A 147 7.199 12.460 -7.362 1.00 0.00 H new ATOM 0 HD11 LEU A 147 8.372 10.832 -5.893 1.00 0.00 H new ATOM 0 HD12 LEU A 147 6.641 10.444 -6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 147 7.839 9.502 -6.947 1.00 0.00 H new ATOM 0 HD21 LEU A 147 9.581 11.905 -7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 147 9.073 10.583 -8.880 1.00 0.00 H new ATOM 0 HD23 LEU A 147 8.715 12.272 -9.314 1.00 0.00 H new ATOM 1397 N ILE A 148 3.886 11.456 -10.535 1.00 0.00 N ATOM 1398 CA ILE A 148 2.904 10.928 -11.529 1.00 0.00 C ATOM 1399 C ILE A 148 1.776 11.935 -11.717 1.00 0.00 C ATOM 1400 O ILE A 148 1.375 12.624 -10.796 1.00 0.00 O ATOM 1401 CB ILE A 148 2.338 9.592 -11.034 1.00 0.00 C ATOM 1402 CG1 ILE A 148 1.674 9.771 -9.661 1.00 0.00 C ATOM 1403 CG2 ILE A 148 3.473 8.574 -10.922 1.00 0.00 C ATOM 1404 CD1 ILE A 148 1.014 8.456 -9.238 1.00 0.00 C ATOM 0 H ILE A 148 3.479 11.750 -9.647 1.00 0.00 H new ATOM 0 HA ILE A 148 3.404 10.770 -12.485 1.00 0.00 H new ATOM 0 HB ILE A 148 1.590 9.237 -11.743 1.00 0.00 H new ATOM 0 HG12 ILE A 148 2.417 10.071 -8.922 1.00 0.00 H new ATOM 0 HG13 ILE A 148 0.930 10.566 -9.706 1.00 0.00 H new ATOM 0 HG21 ILE A 148 3.075 7.622 -10.570 1.00 0.00 H new ATOM 0 HG22 ILE A 148 3.935 8.435 -11.899 1.00 0.00 H new ATOM 0 HG23 ILE A 148 4.220 8.938 -10.216 1.00 0.00 H new ATOM 0 HD11 ILE A 148 0.543 8.583 -8.263 1.00 0.00 H new ATOM 0 HD12 ILE A 148 0.259 8.175 -9.972 1.00 0.00 H new ATOM 0 HD13 ILE A 148 1.770 7.673 -9.177 1.00 0.00 H new ATOM 1416 N LYS A 149 1.264 12.017 -12.911 1.00 0.00 N ATOM 1417 CA LYS A 149 0.152 12.965 -13.205 1.00 0.00 C ATOM 1418 C LYS A 149 -1.172 12.205 -13.143 1.00 0.00 C ATOM 1419 O LYS A 149 -2.239 12.778 -13.244 1.00 0.00 O ATOM 1420 CB LYS A 149 0.353 13.542 -14.610 1.00 0.00 C ATOM 1421 CG LYS A 149 1.606 14.421 -14.626 1.00 0.00 C ATOM 1422 CD LYS A 149 1.813 14.998 -16.030 1.00 0.00 C ATOM 1423 CE LYS A 149 3.027 15.932 -16.029 1.00 0.00 C ATOM 1424 NZ LYS A 149 4.258 15.152 -15.715 1.00 0.00 N ATOM 0 H LYS A 149 1.572 11.460 -13.708 1.00 0.00 H new ATOM 0 HA LYS A 149 0.141 13.776 -12.477 1.00 0.00 H new ATOM 0 HB2 LYS A 149 0.453 12.735 -15.335 1.00 0.00 H new ATOM 0 HB3 LYS A 149 -0.519 14.127 -14.903 1.00 0.00 H new ATOM 0 HG2 LYS A 149 1.505 15.229 -13.901 1.00 0.00 H new ATOM 0 HG3 LYS A 149 2.477 13.835 -14.331 1.00 0.00 H new ATOM 0 HD2 LYS A 149 1.963 14.191 -16.747 1.00 0.00 H new ATOM 0 HD3 LYS A 149 0.923 15.543 -16.345 1.00 0.00 H new ATOM 0 HE2 LYS A 149 3.128 16.414 -17.001 1.00 0.00 H new ATOM 0 HE3 LYS A 149 2.889 16.724 -15.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 5.096 15.694 -16.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 4.302 14.970 -14.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 4.236 14.247 -16.227 1.00 0.00 H new ATOM 1438 N ALA A 150 -1.107 10.906 -12.987 1.00 0.00 N ATOM 1439 CA ALA A 150 -2.355 10.086 -12.931 1.00 0.00 C ATOM 1440 C ALA A 150 -2.814 9.909 -11.485 1.00 0.00 C ATOM 1441 O ALA A 150 -2.041 10.000 -10.549 1.00 0.00 O ATOM 1442 CB ALA A 150 -2.087 8.708 -13.538 1.00 0.00 C ATOM 0 H ALA A 150 -0.240 10.377 -12.896 1.00 0.00 H new ATOM 0 HA ALA A 150 -3.134 10.600 -13.494 1.00 0.00 H new ATOM 0 HB1 ALA A 150 -2.997 8.109 -13.497 1.00 0.00 H new ATOM 0 HB2 ALA A 150 -1.774 8.822 -14.576 1.00 0.00 H new ATOM 0 HB3 ALA A 150 -1.299 8.209 -12.974 1.00 0.00 H new ATOM 1448 N MET A 151 -4.080 9.648 -11.311 1.00 0.00 N ATOM 1449 CA MET A 151 -4.641 9.449 -9.947 1.00 0.00 C ATOM 1450 C MET A 151 -5.853 8.518 -10.042 1.00 0.00 C ATOM 1451 O MET A 151 -6.968 8.910 -9.760 1.00 0.00 O ATOM 1452 CB MET A 151 -5.076 10.802 -9.372 1.00 0.00 C ATOM 1453 CG MET A 151 -3.842 11.585 -8.921 1.00 0.00 C ATOM 1454 SD MET A 151 -4.360 13.076 -8.035 1.00 0.00 S ATOM 1455 CE MET A 151 -4.535 12.320 -6.400 1.00 0.00 C ATOM 0 H MET A 151 -4.759 9.563 -12.068 1.00 0.00 H new ATOM 0 HA MET A 151 -3.887 9.008 -9.295 1.00 0.00 H new ATOM 0 HB2 MET A 151 -5.625 11.369 -10.124 1.00 0.00 H new ATOM 0 HB3 MET A 151 -5.752 10.651 -8.530 1.00 0.00 H new ATOM 0 HG2 MET A 151 -3.220 10.964 -8.276 1.00 0.00 H new ATOM 0 HG3 MET A 151 -3.235 11.855 -9.785 1.00 0.00 H new ATOM 0 HE1 MET A 151 -4.644 13.101 -5.648 1.00 0.00 H new ATOM 0 HE2 MET A 151 -5.417 11.679 -6.388 1.00 0.00 H new ATOM 0 HE3 MET A 151 -3.650 11.723 -6.178 1.00 0.00 H new ATOM 1465 N PRO A 152 -5.633 7.291 -10.440 1.00 0.00 N ATOM 1466 CA PRO A 152 -6.722 6.286 -10.575 1.00 0.00 C ATOM 1467 C PRO A 152 -7.144 5.717 -9.215 1.00 0.00 C ATOM 1468 O PRO A 152 -6.395 5.022 -8.558 1.00 0.00 O ATOM 1469 CB PRO A 152 -6.102 5.203 -11.464 1.00 0.00 C ATOM 1470 CG PRO A 152 -4.629 5.271 -11.191 1.00 0.00 C ATOM 1471 CD PRO A 152 -4.321 6.729 -10.808 1.00 0.00 C ATOM 0 HA PRO A 152 -7.633 6.712 -10.995 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -6.503 4.218 -11.224 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -6.317 5.386 -12.517 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -4.352 4.592 -10.385 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -4.058 4.972 -12.070 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -3.618 6.782 -9.977 1.00 0.00 H new ATOM 0 HD3 PRO A 152 -3.874 7.273 -11.640 1.00 0.00 H new