USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 733 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 TYR OH : rot 58:sc= 0.387 USER MOD Set 1.2: A 136 ASN : amide:sc= 0.478 K(o=0.87,f=-3.9!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.154 X(o=-0.15,f=-0.28) USER MOD Single : A 76 TYR OH : rot 30:sc= -1.17! USER MOD Single : A 78 ASN :FLIP amide:sc=-0.00957 F(o=-1.7!,f=-0.0096) USER MOD Single : A 81 LYS NZ :NH3+ -160:sc= -0.0463 (180deg=-0.6) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc=-0.00943 K(o=-0.0094,f=-1.8!) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 100 ASN : amide:sc= -2.15! C(o=-2.1!,f=-4.2!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 158:sc= -1.15 (180deg=-1.67) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 24:sc= -0.35 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -152:sc= -0.102 (180deg=-0.645) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 113 GLN : amide:sc= -0.215 K(o=-0.21,f=-0.96) USER MOD Single : A 120 SER OG : rot 64:sc= 1.09 USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-2.5!) 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+ -164:sc= -0.037 (180deg=-0.378) USER MOD Single : A 126 ASN : amide:sc= -0.215 X(o=-0.21,f=-0.052) USER MOD Single : A 127 TYR OH : rot -30:sc= -1.27 USER MOD Single : A 130 SER OG : rot -45:sc= 0.378 USER MOD Single : A 134 SER OG : rot 16:sc= 1.59 USER MOD Single : A 135 THR OG1 : rot 87:sc= 0.997 USER MOD Single : A 137 MET CE :methyl -136:sc= -0.251 (180deg=-3.12!) USER MOD Single : A 140 LYS NZ :NH3+ -92:sc= -4.14! (180deg=-4.99!) 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 180:sc= 0 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 MET CE :methyl 150:sc= -1.06 (180deg=-3.53!) USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 65 10.169 1.477 -5.732 1.00 0.00 N ATOM 16 CA PHE A 65 8.840 1.630 -5.071 1.00 0.00 C ATOM 17 C PHE A 65 8.977 1.356 -3.569 1.00 0.00 C ATOM 18 O PHE A 65 8.374 2.015 -2.742 1.00 0.00 O ATOM 19 CB PHE A 65 7.850 0.624 -5.682 1.00 0.00 C ATOM 20 CG PHE A 65 8.148 0.439 -7.150 1.00 0.00 C ATOM 21 CD1 PHE A 65 7.668 1.360 -8.087 1.00 0.00 C ATOM 22 CD2 PHE A 65 8.904 -0.662 -7.572 1.00 0.00 C ATOM 23 CE1 PHE A 65 7.945 1.183 -9.447 1.00 0.00 C ATOM 24 CE2 PHE A 65 9.180 -0.840 -8.935 1.00 0.00 C ATOM 25 CZ PHE A 65 8.699 0.082 -9.872 1.00 0.00 C ATOM 0 HA PHE A 65 8.475 2.646 -5.223 1.00 0.00 H new ATOM 0 HB2 PHE A 65 7.923 -0.332 -5.164 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.828 0.980 -5.551 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.084 2.208 -7.761 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.274 -1.373 -6.848 1.00 0.00 H new ATOM 0 HE1 PHE A 65 7.577 1.896 -10.170 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.763 -1.688 -9.262 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.909 -0.056 -10.922 1.00 0.00 H new ATOM 35 N LYS A 66 9.754 0.371 -3.214 1.00 0.00 N ATOM 36 CA LYS A 66 9.917 0.030 -1.773 1.00 0.00 C ATOM 37 C LYS A 66 10.495 1.229 -1.022 1.00 0.00 C ATOM 38 O LYS A 66 10.077 1.554 0.074 1.00 0.00 O ATOM 39 CB LYS A 66 10.872 -1.162 -1.635 1.00 0.00 C ATOM 40 CG LYS A 66 11.030 -1.561 -0.159 1.00 0.00 C ATOM 41 CD LYS A 66 9.685 -2.043 0.399 1.00 0.00 C ATOM 42 CE LYS A 66 9.916 -2.857 1.667 1.00 0.00 C ATOM 43 NZ LYS A 66 8.599 -3.247 2.244 1.00 0.00 N ATOM 0 H LYS A 66 10.284 -0.213 -3.860 1.00 0.00 H new ATOM 0 HA LYS A 66 8.945 -0.228 -1.352 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.491 -2.008 -2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.845 -0.906 -2.054 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.776 -2.350 -0.064 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.390 -0.711 0.420 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.043 -1.189 0.616 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.168 -2.649 -0.345 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.505 -3.746 1.441 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.485 -2.273 2.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.750 -3.803 3.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.053 -2.392 2.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.073 -3.819 1.553 1.00 0.00 H new ATOM 57 N GLN A 67 11.460 1.882 -1.602 1.00 0.00 N ATOM 58 CA GLN A 67 12.081 3.058 -0.932 1.00 0.00 C ATOM 59 C GLN A 67 11.025 4.150 -0.756 1.00 0.00 C ATOM 60 O GLN A 67 10.935 4.791 0.274 1.00 0.00 O ATOM 61 CB GLN A 67 13.216 3.591 -1.810 1.00 0.00 C ATOM 62 CG GLN A 67 13.913 4.753 -1.101 1.00 0.00 C ATOM 63 CD GLN A 67 15.074 5.261 -1.960 1.00 0.00 C ATOM 64 OE1 GLN A 67 15.534 4.576 -2.854 1.00 0.00 O ATOM 65 NE2 GLN A 67 15.572 6.445 -1.725 1.00 0.00 N ATOM 0 H GLN A 67 11.848 1.651 -2.517 1.00 0.00 H new ATOM 0 HA GLN A 67 12.474 2.766 0.042 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.933 2.796 -2.017 1.00 0.00 H new ATOM 0 HB3 GLN A 67 12.821 3.922 -2.770 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.202 5.559 -0.919 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.283 4.429 -0.128 1.00 0.00 H new ATOM 0 HE21 GLN A 67 15.187 7.021 -0.976 1.00 0.00 H new ATOM 0 HE22 GLN A 67 16.346 6.794 -2.291 1.00 0.00 H new ATOM 74 N VAL A 68 10.223 4.363 -1.763 1.00 0.00 N ATOM 75 CA VAL A 68 9.164 5.410 -1.678 1.00 0.00 C ATOM 76 C VAL A 68 8.159 5.033 -0.585 1.00 0.00 C ATOM 77 O VAL A 68 7.783 5.843 0.242 1.00 0.00 O ATOM 78 CB VAL A 68 8.436 5.490 -3.024 1.00 0.00 C ATOM 79 CG1 VAL A 68 7.231 6.427 -2.906 1.00 0.00 C ATOM 80 CG2 VAL A 68 9.391 6.019 -4.094 1.00 0.00 C ATOM 0 H VAL A 68 10.256 3.854 -2.646 1.00 0.00 H new ATOM 0 HA VAL A 68 9.617 6.373 -1.440 1.00 0.00 H new ATOM 0 HB VAL A 68 8.092 4.494 -3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.717 6.481 -3.865 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.547 6.046 -2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.571 7.422 -2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.871 6.075 -5.050 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.739 7.013 -3.812 1.00 0.00 H new ATOM 0 HG23 VAL A 68 10.245 5.347 -4.184 1.00 0.00 H new ATOM 90 N ALA A 69 7.722 3.805 -0.582 1.00 0.00 N ATOM 91 CA ALA A 69 6.741 3.353 0.446 1.00 0.00 C ATOM 92 C ALA A 69 7.404 3.345 1.824 1.00 0.00 C ATOM 93 O ALA A 69 6.795 3.672 2.825 1.00 0.00 O ATOM 94 CB ALA A 69 6.272 1.937 0.100 1.00 0.00 C ATOM 0 H ALA A 69 8.004 3.089 -1.252 1.00 0.00 H new ATOM 0 HA ALA A 69 5.889 4.033 0.461 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.554 1.599 0.847 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.799 1.940 -0.882 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.128 1.263 0.088 1.00 0.00 H new ATOM 100 N ASP A 70 8.652 2.965 1.880 1.00 0.00 N ATOM 101 CA ASP A 70 9.370 2.917 3.189 1.00 0.00 C ATOM 102 C ASP A 70 9.494 4.340 3.749 1.00 0.00 C ATOM 103 O ASP A 70 9.344 4.571 4.934 1.00 0.00 O ATOM 104 CB ASP A 70 10.777 2.336 2.967 1.00 0.00 C ATOM 105 CG ASP A 70 10.735 0.802 2.993 1.00 0.00 C ATOM 106 OD1 ASP A 70 9.680 0.255 3.270 1.00 0.00 O ATOM 107 OD2 ASP A 70 11.764 0.200 2.729 1.00 0.00 O ATOM 0 H ASP A 70 9.209 2.684 1.073 1.00 0.00 H new ATOM 0 HA ASP A 70 8.818 2.293 3.892 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.172 2.679 2.011 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.454 2.700 3.740 1.00 0.00 H new ATOM 112 N ASP A 71 9.771 5.292 2.902 1.00 0.00 N ATOM 113 CA ASP A 71 9.913 6.698 3.379 1.00 0.00 C ATOM 114 C ASP A 71 8.589 7.171 3.984 1.00 0.00 C ATOM 115 O ASP A 71 8.548 7.766 5.043 1.00 0.00 O ATOM 116 CB ASP A 71 10.271 7.597 2.192 1.00 0.00 C ATOM 117 CG ASP A 71 11.720 7.353 1.773 1.00 0.00 C ATOM 118 OD1 ASP A 71 12.435 6.714 2.526 1.00 0.00 O ATOM 119 OD2 ASP A 71 12.093 7.813 0.705 1.00 0.00 O ATOM 0 H ASP A 71 9.905 5.158 1.900 1.00 0.00 H new ATOM 0 HA ASP A 71 10.697 6.748 4.134 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.602 7.393 1.356 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.133 8.644 2.463 1.00 0.00 H new ATOM 124 N TRP A 72 7.506 6.903 3.310 1.00 0.00 N ATOM 125 CA TRP A 72 6.168 7.319 3.822 1.00 0.00 C ATOM 126 C TRP A 72 5.843 6.534 5.097 1.00 0.00 C ATOM 127 O TRP A 72 5.253 7.051 6.028 1.00 0.00 O ATOM 128 CB TRP A 72 5.108 7.031 2.756 1.00 0.00 C ATOM 129 CG TRP A 72 3.747 7.327 3.303 1.00 0.00 C ATOM 130 CD1 TRP A 72 3.096 8.505 3.166 1.00 0.00 C ATOM 131 CD2 TRP A 72 2.866 6.459 4.074 1.00 0.00 C ATOM 132 NE1 TRP A 72 1.868 8.412 3.796 1.00 0.00 N ATOM 133 CE2 TRP A 72 1.680 7.171 4.373 1.00 0.00 C ATOM 134 CE3 TRP A 72 2.977 5.135 4.533 1.00 0.00 C ATOM 135 CZ2 TRP A 72 0.644 6.591 5.108 1.00 0.00 C ATOM 136 CZ3 TRP A 72 1.937 4.548 5.272 1.00 0.00 C ATOM 137 CH2 TRP A 72 0.773 5.275 5.557 1.00 0.00 C ATOM 0 H TRP A 72 7.489 6.409 2.418 1.00 0.00 H new ATOM 0 HA TRP A 72 6.176 8.385 4.048 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.295 7.639 1.871 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.166 5.988 2.444 1.00 0.00 H new ATOM 0 HD1 TRP A 72 3.473 9.375 2.649 1.00 0.00 H new ATOM 0 HE1 TRP A 72 1.184 9.168 3.830 1.00 0.00 H new ATOM 0 HE3 TRP A 72 3.868 4.565 4.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.250 7.156 5.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 2.035 3.531 5.623 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -0.024 4.817 6.124 1.00 0.00 H new ATOM 148 N LEU A 73 6.212 5.283 5.134 1.00 0.00 N ATOM 149 CA LEU A 73 5.919 4.447 6.335 1.00 0.00 C ATOM 150 C LEU A 73 6.635 5.033 7.555 1.00 0.00 C ATOM 151 O LEU A 73 6.093 5.087 8.643 1.00 0.00 O ATOM 152 CB LEU A 73 6.415 3.014 6.090 1.00 0.00 C ATOM 153 CG LEU A 73 6.072 2.120 7.294 1.00 0.00 C ATOM 154 CD1 LEU A 73 4.547 2.045 7.480 1.00 0.00 C ATOM 155 CD2 LEU A 73 6.633 0.711 7.056 1.00 0.00 C ATOM 0 H LEU A 73 6.705 4.801 4.382 1.00 0.00 H new ATOM 0 HA LEU A 73 4.844 4.436 6.517 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.956 2.612 5.187 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.493 3.017 5.926 1.00 0.00 H new ATOM 0 HG LEU A 73 6.516 2.545 8.194 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.316 1.410 8.335 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.152 3.046 7.654 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.091 1.626 6.583 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.392 0.075 7.907 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.191 0.291 6.152 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.715 0.765 6.939 1.00 0.00 H new ATOM 167 N LYS A 74 7.852 5.468 7.381 1.00 0.00 N ATOM 168 CA LYS A 74 8.609 6.050 8.526 1.00 0.00 C ATOM 169 C LYS A 74 7.879 7.291 9.042 1.00 0.00 C ATOM 170 O LYS A 74 7.723 7.487 10.232 1.00 0.00 O ATOM 171 CB LYS A 74 10.005 6.454 8.044 1.00 0.00 C ATOM 172 CG LYS A 74 10.843 5.203 7.772 1.00 0.00 C ATOM 173 CD LYS A 74 12.189 5.597 7.144 1.00 0.00 C ATOM 174 CE LYS A 74 13.125 6.177 8.213 1.00 0.00 C ATOM 175 NZ LYS A 74 14.503 6.293 7.658 1.00 0.00 N ATOM 0 H LYS A 74 8.356 5.446 6.495 1.00 0.00 H new ATOM 0 HA LYS A 74 8.688 5.314 9.327 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.927 7.054 7.138 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.494 7.074 8.796 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.012 4.659 8.702 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.303 4.532 7.104 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.651 4.725 6.680 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.029 6.331 6.354 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.767 7.156 8.533 1.00 0.00 H new ATOM 0 HE3 LYS A 74 13.129 5.536 9.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.137 6.686 8.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.843 5.352 7.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.492 6.922 6.830 1.00 0.00 H new ATOM 189 N GLN A 75 7.432 8.129 8.149 1.00 0.00 N ATOM 190 CA GLN A 75 6.707 9.365 8.568 1.00 0.00 C ATOM 191 C GLN A 75 5.317 8.991 9.097 1.00 0.00 C ATOM 192 O GLN A 75 4.849 9.515 10.092 1.00 0.00 O ATOM 193 CB GLN A 75 6.552 10.286 7.356 1.00 0.00 C ATOM 194 CG GLN A 75 7.932 10.678 6.821 1.00 0.00 C ATOM 195 CD GLN A 75 8.679 11.499 7.874 1.00 0.00 C ATOM 196 OE1 GLN A 75 8.157 12.468 8.390 1.00 0.00 O ATOM 197 NE2 GLN A 75 9.891 11.152 8.213 1.00 0.00 N ATOM 0 H GLN A 75 7.537 8.012 7.141 1.00 0.00 H new ATOM 0 HA GLN A 75 7.270 9.871 9.352 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.979 9.783 6.577 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.993 11.179 7.636 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.503 9.784 6.571 1.00 0.00 H new ATOM 0 HG3 GLN A 75 7.826 11.256 5.903 1.00 0.00 H new ATOM 0 HE21 GLN A 75 10.329 10.339 7.780 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.400 11.694 8.911 1.00 0.00 H new ATOM 206 N TYR A 76 4.655 8.082 8.434 1.00 0.00 N ATOM 207 CA TYR A 76 3.294 7.662 8.880 1.00 0.00 C ATOM 208 C TYR A 76 3.410 6.880 10.189 1.00 0.00 C ATOM 209 O TYR A 76 2.432 6.621 10.865 1.00 0.00 O ATOM 210 CB TYR A 76 2.663 6.771 7.806 1.00 0.00 C ATOM 211 CG TYR A 76 1.334 6.252 8.298 1.00 0.00 C ATOM 212 CD1 TYR A 76 0.201 7.073 8.250 1.00 0.00 C ATOM 213 CD2 TYR A 76 1.233 4.951 8.806 1.00 0.00 C ATOM 214 CE1 TYR A 76 -1.032 6.593 8.709 1.00 0.00 C ATOM 215 CE2 TYR A 76 0.002 4.473 9.266 1.00 0.00 C ATOM 216 CZ TYR A 76 -1.131 5.293 9.218 1.00 0.00 C ATOM 217 OH TYR A 76 -2.346 4.821 9.673 1.00 0.00 O ATOM 0 H TYR A 76 4.999 7.609 7.598 1.00 0.00 H new ATOM 0 HA TYR A 76 2.670 8.542 9.036 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.526 7.336 6.884 1.00 0.00 H new ATOM 0 HB3 TYR A 76 3.327 5.938 7.573 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.278 8.077 7.859 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.106 4.317 8.843 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.906 7.226 8.670 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.074 3.470 9.659 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.072 5.252 9.175 1.00 0.00 H new ATOM 227 N ALA A 77 4.606 6.506 10.551 1.00 0.00 N ATOM 228 CA ALA A 77 4.806 5.742 11.815 1.00 0.00 C ATOM 229 C ALA A 77 4.389 6.606 13.008 1.00 0.00 C ATOM 230 O ALA A 77 4.418 6.176 14.147 1.00 0.00 O ATOM 231 CB ALA A 77 6.287 5.370 11.945 1.00 0.00 C ATOM 0 H ALA A 77 5.458 6.698 10.023 1.00 0.00 H new ATOM 0 HA ALA A 77 4.199 4.837 11.798 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.442 4.811 12.868 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.584 4.757 11.094 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.890 6.278 11.966 1.00 0.00 H new ATOM 237 N ASN A 78 4.001 7.831 12.754 1.00 0.00 N ATOM 238 CA ASN A 78 3.585 8.744 13.864 1.00 0.00 C ATOM 239 C ASN A 78 2.067 8.690 14.061 1.00 0.00 C ATOM 240 O ASN A 78 1.307 8.516 13.125 1.00 0.00 O ATOM 241 CB ASN A 78 3.992 10.179 13.528 1.00 0.00 C ATOM 242 CG ASN A 78 5.517 10.291 13.490 1.00 0.00 C ATOM 243 OD1 ASN A 78 6.245 9.276 13.866 1.00 0.00 O flip ATOM 244 ND2 ASN A 78 6.051 11.312 13.106 1.00 0.00 N flip ATOM 0 H ASN A 78 3.954 8.240 11.821 1.00 0.00 H new ATOM 0 HA ASN A 78 4.077 8.421 14.781 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.573 10.469 12.564 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.586 10.865 14.272 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.482 12.106 12.812 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.069 11.376 13.078 1.00 0.00 H new ATOM 251 N ASP A 79 1.634 8.845 15.287 1.00 0.00 N ATOM 252 CA ASP A 79 0.176 8.816 15.606 1.00 0.00 C ATOM 253 C ASP A 79 -0.375 7.424 15.306 1.00 0.00 C ATOM 254 O ASP A 79 -1.559 7.235 15.100 1.00 0.00 O ATOM 255 CB ASP A 79 -0.564 9.872 14.771 1.00 0.00 C ATOM 256 CG ASP A 79 -1.940 10.145 15.387 1.00 0.00 C ATOM 257 OD1 ASP A 79 -2.385 9.333 16.179 1.00 0.00 O ATOM 258 OD2 ASP A 79 -2.522 11.165 15.056 1.00 0.00 O ATOM 0 H ASP A 79 2.241 8.993 16.093 1.00 0.00 H new ATOM 0 HA ASP A 79 0.028 9.043 16.662 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.018 10.793 14.733 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.677 9.524 13.744 1.00 0.00 H new ATOM 263 N VAL A 80 0.489 6.441 15.281 1.00 0.00 N ATOM 264 CA VAL A 80 0.042 5.045 14.996 1.00 0.00 C ATOM 265 C VAL A 80 0.811 4.053 15.874 1.00 0.00 C ATOM 266 O VAL A 80 1.948 4.275 16.252 1.00 0.00 O ATOM 267 CB VAL A 80 0.277 4.719 13.519 1.00 0.00 C ATOM 268 CG1 VAL A 80 1.717 5.062 13.138 1.00 0.00 C ATOM 269 CG2 VAL A 80 0.023 3.227 13.275 1.00 0.00 C ATOM 0 H VAL A 80 1.490 6.547 15.447 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.022 4.962 15.220 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.407 5.308 12.908 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.880 4.829 12.086 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.895 6.124 13.306 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.404 4.478 13.750 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.191 2.997 12.223 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.704 2.637 13.889 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.006 2.985 13.540 1.00 0.00 H new ATOM 279 N LYS A 81 0.184 2.951 16.188 1.00 0.00 N ATOM 280 CA LYS A 81 0.834 1.913 17.036 1.00 0.00 C ATOM 281 C LYS A 81 2.008 1.275 16.287 1.00 0.00 C ATOM 282 O LYS A 81 2.002 1.144 15.077 1.00 0.00 O ATOM 283 CB LYS A 81 -0.195 0.836 17.388 1.00 0.00 C ATOM 284 CG LYS A 81 -1.262 1.433 18.309 1.00 0.00 C ATOM 285 CD LYS A 81 -2.307 0.367 18.648 1.00 0.00 C ATOM 286 CE LYS A 81 -3.398 0.981 19.529 1.00 0.00 C ATOM 287 NZ LYS A 81 -2.787 1.503 20.784 1.00 0.00 N ATOM 0 H LYS A 81 -0.764 2.724 15.888 1.00 0.00 H new ATOM 0 HA LYS A 81 1.210 2.379 17.947 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -0.658 0.449 16.480 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.296 -0.005 17.879 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -0.800 1.806 19.223 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -1.741 2.284 17.823 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -2.745 -0.031 17.733 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -1.835 -0.468 19.165 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -3.902 1.787 18.995 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.155 0.233 19.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.523 1.605 21.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.059 0.839 21.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.352 2.429 20.599 1.00 0.00 H new ATOM 301 N VAL A 82 3.014 0.877 17.016 1.00 0.00 N ATOM 302 CA VAL A 82 4.209 0.244 16.390 1.00 0.00 C ATOM 303 C VAL A 82 3.801 -1.063 15.705 1.00 0.00 C ATOM 304 O VAL A 82 4.221 -1.365 14.604 1.00 0.00 O ATOM 305 CB VAL A 82 5.234 -0.068 17.485 1.00 0.00 C ATOM 306 CG1 VAL A 82 6.414 -0.826 16.879 1.00 0.00 C ATOM 307 CG2 VAL A 82 5.730 1.237 18.113 1.00 0.00 C ATOM 0 H VAL A 82 3.059 0.965 18.031 1.00 0.00 H new ATOM 0 HA VAL A 82 4.637 0.923 15.652 1.00 0.00 H new ATOM 0 HB VAL A 82 4.765 -0.682 18.254 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.143 -1.048 17.658 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.060 -1.758 16.438 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.882 -0.214 16.108 1.00 0.00 H new ATOM 0 HG21 VAL A 82 6.459 1.012 18.892 1.00 0.00 H new ATOM 0 HG22 VAL A 82 6.197 1.855 17.346 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.888 1.774 18.549 1.00 0.00 H new ATOM 317 N SER A 83 2.993 -1.845 16.365 1.00 0.00 N ATOM 318 CA SER A 83 2.551 -3.147 15.787 1.00 0.00 C ATOM 319 C SER A 83 1.833 -2.917 14.452 1.00 0.00 C ATOM 320 O SER A 83 1.937 -3.706 13.531 1.00 0.00 O ATOM 321 CB SER A 83 1.596 -3.825 16.770 1.00 0.00 C ATOM 322 OG SER A 83 2.327 -4.261 17.908 1.00 0.00 O ATOM 0 H SER A 83 2.616 -1.636 17.289 1.00 0.00 H new ATOM 0 HA SER A 83 3.421 -3.780 15.613 1.00 0.00 H new ATOM 0 HB2 SER A 83 0.812 -3.130 17.071 1.00 0.00 H new ATOM 0 HB3 SER A 83 1.105 -4.673 16.292 1.00 0.00 H new ATOM 0 HG SER A 83 1.718 -4.695 18.542 1.00 0.00 H new ATOM 328 N SER A 84 1.099 -1.845 14.344 1.00 0.00 N ATOM 329 CA SER A 84 0.370 -1.555 13.073 1.00 0.00 C ATOM 330 C SER A 84 1.368 -1.174 11.976 1.00 0.00 C ATOM 331 O SER A 84 1.186 -1.486 10.813 1.00 0.00 O ATOM 332 CB SER A 84 -0.595 -0.392 13.298 1.00 0.00 C ATOM 333 OG SER A 84 -1.686 -0.831 14.096 1.00 0.00 O ATOM 0 H SER A 84 0.971 -1.153 15.083 1.00 0.00 H new ATOM 0 HA SER A 84 -0.183 -2.443 12.766 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.079 0.433 13.790 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.958 -0.016 12.341 1.00 0.00 H new ATOM 0 HG SER A 84 -2.305 -0.085 14.243 1.00 0.00 H new ATOM 339 N VAL A 85 2.416 -0.485 12.338 1.00 0.00 N ATOM 340 CA VAL A 85 3.428 -0.062 11.325 1.00 0.00 C ATOM 341 C VAL A 85 4.074 -1.294 10.682 1.00 0.00 C ATOM 342 O VAL A 85 4.195 -1.390 9.475 1.00 0.00 O ATOM 343 CB VAL A 85 4.514 0.766 12.021 1.00 0.00 C ATOM 344 CG1 VAL A 85 5.678 1.014 11.056 1.00 0.00 C ATOM 345 CG2 VAL A 85 3.928 2.107 12.467 1.00 0.00 C ATOM 0 H VAL A 85 2.617 -0.195 13.295 1.00 0.00 H new ATOM 0 HA VAL A 85 2.938 0.531 10.553 1.00 0.00 H new ATOM 0 HB VAL A 85 4.878 0.219 12.891 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.446 1.603 11.557 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.100 0.059 10.742 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.317 1.556 10.182 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.701 2.695 12.962 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.560 2.650 11.597 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.105 1.932 13.160 1.00 0.00 H new ATOM 355 N ARG A 86 4.497 -2.231 11.483 1.00 0.00 N ATOM 356 CA ARG A 86 5.142 -3.458 10.934 1.00 0.00 C ATOM 357 C ARG A 86 4.080 -4.356 10.294 1.00 0.00 C ATOM 358 O ARG A 86 4.300 -4.969 9.267 1.00 0.00 O ATOM 359 CB ARG A 86 5.845 -4.216 12.073 1.00 0.00 C ATOM 360 CG ARG A 86 4.819 -4.639 13.131 1.00 0.00 C ATOM 361 CD ARG A 86 5.538 -5.294 14.316 1.00 0.00 C ATOM 362 NE ARG A 86 6.223 -6.538 13.862 1.00 0.00 N ATOM 363 CZ ARG A 86 5.574 -7.673 13.798 1.00 0.00 C ATOM 364 NH1 ARG A 86 4.308 -7.735 14.120 1.00 0.00 N ATOM 365 NH2 ARG A 86 6.196 -8.750 13.408 1.00 0.00 N ATOM 0 H ARG A 86 4.424 -2.200 12.500 1.00 0.00 H new ATOM 0 HA ARG A 86 5.875 -3.177 10.178 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.354 -5.094 11.677 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.608 -3.583 12.526 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.254 -3.771 13.471 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.102 -5.336 12.698 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.265 -4.601 14.741 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.822 -5.528 15.104 1.00 0.00 H new ATOM 0 HE ARG A 86 7.208 -6.504 13.598 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.817 -6.894 14.424 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.811 -8.624 14.067 1.00 0.00 H new ATOM 0 HH21 ARG A 86 7.183 -8.705 13.155 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.696 -9.637 13.356 1.00 0.00 H new ATOM 379 N ALA A 87 2.933 -4.443 10.907 1.00 0.00 N ATOM 380 CA ALA A 87 1.847 -5.303 10.360 1.00 0.00 C ATOM 381 C ALA A 87 1.361 -4.738 9.024 1.00 0.00 C ATOM 382 O ALA A 87 1.216 -5.449 8.048 1.00 0.00 O ATOM 383 CB ALA A 87 0.686 -5.331 11.355 1.00 0.00 C ATOM 0 H ALA A 87 2.700 -3.952 11.770 1.00 0.00 H new ATOM 0 HA ALA A 87 2.225 -6.313 10.203 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.114 -5.959 10.963 1.00 0.00 H new ATOM 0 HB2 ALA A 87 1.032 -5.736 12.306 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.312 -4.318 11.506 1.00 0.00 H new ATOM 389 N ARG A 88 1.110 -3.459 8.979 1.00 0.00 N ATOM 390 CA ARG A 88 0.642 -2.826 7.713 1.00 0.00 C ATOM 391 C ARG A 88 1.759 -2.888 6.671 1.00 0.00 C ATOM 392 O ARG A 88 1.519 -3.084 5.495 1.00 0.00 O ATOM 393 CB ARG A 88 0.262 -1.365 7.976 1.00 0.00 C ATOM 394 CG ARG A 88 -1.028 -1.304 8.800 1.00 0.00 C ATOM 395 CD ARG A 88 -1.372 0.158 9.113 1.00 0.00 C ATOM 396 NE ARG A 88 -2.608 0.213 9.946 1.00 0.00 N ATOM 397 CZ ARG A 88 -3.007 1.344 10.472 1.00 0.00 C ATOM 398 NH1 ARG A 88 -2.338 2.444 10.260 1.00 0.00 N ATOM 399 NH2 ARG A 88 -4.084 1.373 11.207 1.00 0.00 N ATOM 0 H ARG A 88 1.209 -2.821 9.769 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.231 -3.361 7.341 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.068 -0.860 8.508 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.126 -0.839 7.031 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.845 -1.770 8.250 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.906 -1.866 9.726 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.544 0.632 9.640 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.520 0.714 8.187 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.147 -0.638 10.107 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.498 2.427 9.681 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.655 3.321 10.673 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.613 0.516 11.371 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.397 2.252 11.618 1.00 0.00 H new ATOM 413 N GLU A 89 2.984 -2.719 7.099 1.00 0.00 N ATOM 414 CA GLU A 89 4.130 -2.767 6.144 1.00 0.00 C ATOM 415 C GLU A 89 4.078 -4.082 5.365 1.00 0.00 C ATOM 416 O GLU A 89 4.226 -4.116 4.157 1.00 0.00 O ATOM 417 CB GLU A 89 5.446 -2.699 6.927 1.00 0.00 C ATOM 418 CG GLU A 89 6.623 -2.677 5.947 1.00 0.00 C ATOM 419 CD GLU A 89 7.940 -2.547 6.717 1.00 0.00 C ATOM 420 OE1 GLU A 89 7.921 -2.736 7.923 1.00 0.00 O ATOM 421 OE2 GLU A 89 8.944 -2.266 6.086 1.00 0.00 O ATOM 0 H GLU A 89 3.240 -2.549 8.072 1.00 0.00 H new ATOM 0 HA GLU A 89 4.069 -1.925 5.455 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.463 -1.807 7.553 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.530 -3.558 7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.629 -3.590 5.351 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.514 -1.844 5.253 1.00 0.00 H new ATOM 428 N LYS A 90 3.860 -5.165 6.056 1.00 0.00 N ATOM 429 CA LYS A 90 3.779 -6.494 5.383 1.00 0.00 C ATOM 430 C LYS A 90 2.557 -6.532 4.465 1.00 0.00 C ATOM 431 O LYS A 90 2.585 -7.102 3.390 1.00 0.00 O ATOM 432 CB LYS A 90 3.649 -7.587 6.445 1.00 0.00 C ATOM 433 CG LYS A 90 3.688 -8.961 5.772 1.00 0.00 C ATOM 434 CD LYS A 90 3.636 -10.059 6.840 1.00 0.00 C ATOM 435 CE LYS A 90 3.690 -11.432 6.164 1.00 0.00 C ATOM 436 NZ LYS A 90 3.666 -12.501 7.204 1.00 0.00 N ATOM 0 H LYS A 90 3.733 -5.188 7.068 1.00 0.00 H new ATOM 0 HA LYS A 90 4.680 -6.658 4.792 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.459 -7.502 7.170 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.715 -7.466 6.994 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.846 -9.066 5.087 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.596 -9.060 5.178 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.472 -9.949 7.531 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.723 -9.967 7.427 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.844 -11.549 5.487 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.594 -11.517 5.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.703 -13.433 6.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.487 -12.392 7.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.791 -12.424 7.761 1.00 0.00 H new ATOM 450 N ALA A 91 1.477 -5.937 4.890 1.00 0.00 N ATOM 451 CA ALA A 91 0.238 -5.940 4.061 1.00 0.00 C ATOM 452 C ALA A 91 0.510 -5.271 2.709 1.00 0.00 C ATOM 453 O ALA A 91 0.107 -5.759 1.670 1.00 0.00 O ATOM 454 CB ALA A 91 -0.855 -5.159 4.796 1.00 0.00 C ATOM 0 H ALA A 91 1.399 -5.446 5.781 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.082 -6.969 3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.765 -5.156 4.197 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.055 -5.631 5.758 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.523 -4.133 4.957 1.00 0.00 H new ATOM 460 N ILE A 92 1.188 -4.155 2.716 1.00 0.00 N ATOM 461 CA ILE A 92 1.483 -3.446 1.434 1.00 0.00 C ATOM 462 C ILE A 92 2.691 -4.092 0.740 1.00 0.00 C ATOM 463 O ILE A 92 2.913 -3.906 -0.442 1.00 0.00 O ATOM 464 CB ILE A 92 1.789 -1.969 1.723 1.00 0.00 C ATOM 465 CG1 ILE A 92 2.970 -1.857 2.699 1.00 0.00 C ATOM 466 CG2 ILE A 92 0.560 -1.304 2.342 1.00 0.00 C ATOM 467 CD1 ILE A 92 3.343 -0.382 2.883 1.00 0.00 C ATOM 0 H ILE A 92 1.551 -3.702 3.554 1.00 0.00 H new ATOM 0 HA ILE A 92 0.614 -3.519 0.780 1.00 0.00 H new ATOM 0 HB ILE A 92 2.046 -1.471 0.788 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.705 -2.299 3.660 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.825 -2.414 2.317 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.778 -0.256 2.547 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.278 -1.372 1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.303 -1.810 3.273 1.00 0.00 H new ATOM 0 HD11 ILE A 92 4.181 -0.302 3.576 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.626 0.045 1.921 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.488 0.162 3.284 1.00 0.00 H new ATOM 479 N GLN A 93 3.470 -4.847 1.465 1.00 0.00 N ATOM 480 CA GLN A 93 4.671 -5.498 0.856 1.00 0.00 C ATOM 481 C GLN A 93 4.246 -6.346 -0.348 1.00 0.00 C ATOM 482 O GLN A 93 4.917 -6.388 -1.363 1.00 0.00 O ATOM 483 CB GLN A 93 5.344 -6.395 1.905 1.00 0.00 C ATOM 484 CG GLN A 93 6.591 -7.050 1.300 1.00 0.00 C ATOM 485 CD GLN A 93 7.336 -7.841 2.380 1.00 0.00 C ATOM 486 OE1 GLN A 93 7.108 -7.650 3.559 1.00 0.00 O ATOM 487 NE2 GLN A 93 8.228 -8.726 2.024 1.00 0.00 N ATOM 0 H GLN A 93 3.328 -5.043 2.456 1.00 0.00 H new ATOM 0 HA GLN A 93 5.371 -4.732 0.523 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.619 -5.805 2.779 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.647 -7.161 2.244 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.305 -7.712 0.483 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.245 -6.287 0.878 1.00 0.00 H new ATOM 0 HE21 GLN A 93 8.420 -8.887 1.035 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.732 -9.256 2.735 1.00 0.00 H new ATOM 496 N HIS A 94 3.135 -7.018 -0.242 1.00 0.00 N ATOM 497 CA HIS A 94 2.652 -7.867 -1.372 1.00 0.00 C ATOM 498 C HIS A 94 2.452 -7.004 -2.623 1.00 0.00 C ATOM 499 O HIS A 94 2.737 -7.417 -3.731 1.00 0.00 O ATOM 500 CB HIS A 94 1.315 -8.501 -0.983 1.00 0.00 C ATOM 501 CG HIS A 94 1.524 -9.474 0.141 1.00 0.00 C ATOM 502 ND1 HIS A 94 2.157 -10.691 -0.047 1.00 0.00 N ATOM 503 CD2 HIS A 94 1.193 -9.424 1.473 1.00 0.00 C ATOM 504 CE1 HIS A 94 2.186 -11.320 1.142 1.00 0.00 C ATOM 505 NE2 HIS A 94 1.611 -10.592 2.103 1.00 0.00 N ATOM 0 H HIS A 94 2.535 -7.017 0.583 1.00 0.00 H new ATOM 0 HA HIS A 94 3.388 -8.642 -1.583 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.609 -7.727 -0.681 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.880 -9.011 -1.842 1.00 0.00 H new ATOM 0 HD2 HIS A 94 0.686 -8.603 1.958 1.00 0.00 H new ATOM 0 HE1 HIS A 94 2.622 -12.296 1.300 1.00 0.00 H new ATOM 0 HE2 HIS A 94 1.502 -10.839 3.087 1.00 0.00 H new ATOM 513 N ALA A 95 1.954 -5.811 -2.451 1.00 0.00 N ATOM 514 CA ALA A 95 1.724 -4.913 -3.622 1.00 0.00 C ATOM 515 C ALA A 95 3.064 -4.548 -4.270 1.00 0.00 C ATOM 516 O ALA A 95 3.175 -4.430 -5.476 1.00 0.00 O ATOM 517 CB ALA A 95 1.031 -3.635 -3.144 1.00 0.00 C ATOM 0 H ALA A 95 1.695 -5.416 -1.547 1.00 0.00 H new ATOM 0 HA ALA A 95 1.099 -5.425 -4.353 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.860 -2.974 -3.994 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.076 -3.889 -2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 95 1.663 -3.130 -2.413 1.00 0.00 H new ATOM 523 N ILE A 96 4.078 -4.352 -3.473 1.00 0.00 N ATOM 524 CA ILE A 96 5.417 -3.979 -4.024 1.00 0.00 C ATOM 525 C ILE A 96 5.955 -5.106 -4.915 1.00 0.00 C ATOM 526 O ILE A 96 6.485 -4.870 -5.985 1.00 0.00 O ATOM 527 CB ILE A 96 6.386 -3.736 -2.858 1.00 0.00 C ATOM 528 CG1 ILE A 96 5.767 -2.742 -1.868 1.00 0.00 C ATOM 529 CG2 ILE A 96 7.710 -3.174 -3.378 1.00 0.00 C ATOM 530 CD1 ILE A 96 5.328 -1.463 -2.597 1.00 0.00 C ATOM 0 H ILE A 96 4.039 -4.434 -2.457 1.00 0.00 H new ATOM 0 HA ILE A 96 5.322 -3.074 -4.624 1.00 0.00 H new ATOM 0 HB ILE A 96 6.573 -4.685 -2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.910 -3.198 -1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.490 -2.495 -1.091 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.388 -3.006 -2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 96 8.159 -3.884 -4.072 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.528 -2.230 -3.892 1.00 0.00 H new ATOM 0 HD11 ILE A 96 4.891 -0.768 -1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 96 6.193 -0.999 -3.071 1.00 0.00 H new ATOM 0 HD13 ILE A 96 4.588 -1.713 -3.357 1.00 0.00 H new ATOM 542 N GLU A 97 5.841 -6.328 -4.475 1.00 0.00 N ATOM 543 CA GLU A 97 6.354 -7.473 -5.288 1.00 0.00 C ATOM 544 C GLU A 97 5.471 -7.703 -6.523 1.00 0.00 C ATOM 545 O GLU A 97 5.955 -7.919 -7.618 1.00 0.00 O ATOM 546 CB GLU A 97 6.350 -8.741 -4.429 1.00 0.00 C ATOM 547 CG GLU A 97 6.981 -9.892 -5.218 1.00 0.00 C ATOM 548 CD GLU A 97 7.056 -11.142 -4.339 1.00 0.00 C ATOM 549 OE1 GLU A 97 7.571 -11.040 -3.238 1.00 0.00 O ATOM 550 OE2 GLU A 97 6.600 -12.182 -4.786 1.00 0.00 O ATOM 0 H GLU A 97 5.414 -6.587 -3.586 1.00 0.00 H new ATOM 0 HA GLU A 97 7.366 -7.240 -5.618 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.905 -8.570 -3.507 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.330 -8.997 -4.144 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.392 -10.099 -6.111 1.00 0.00 H new ATOM 0 HG3 GLU A 97 7.980 -9.611 -5.553 1.00 0.00 H new ATOM 557 N ARG A 98 4.178 -7.679 -6.346 1.00 0.00 N ATOM 558 CA ARG A 98 3.249 -7.920 -7.493 1.00 0.00 C ATOM 559 C ARG A 98 3.348 -6.787 -8.518 1.00 0.00 C ATOM 560 O ARG A 98 3.309 -7.012 -9.713 1.00 0.00 O ATOM 561 CB ARG A 98 1.812 -7.993 -6.966 1.00 0.00 C ATOM 562 CG ARG A 98 1.618 -9.289 -6.175 1.00 0.00 C ATOM 563 CD ARG A 98 0.221 -9.305 -5.539 1.00 0.00 C ATOM 564 NE ARG A 98 -0.815 -9.304 -6.610 1.00 0.00 N ATOM 565 CZ ARG A 98 -2.082 -9.156 -6.313 1.00 0.00 C ATOM 566 NH1 ARG A 98 -2.460 -9.017 -5.070 1.00 0.00 N ATOM 567 NH2 ARG A 98 -2.972 -9.151 -7.265 1.00 0.00 N ATOM 0 H ARG A 98 3.720 -7.502 -5.452 1.00 0.00 H new ATOM 0 HA ARG A 98 3.525 -8.857 -7.977 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.604 -7.133 -6.330 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.107 -7.954 -7.797 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.738 -10.149 -6.834 1.00 0.00 H new ATOM 0 HG3 ARG A 98 2.381 -9.371 -5.401 1.00 0.00 H new ATOM 0 HD2 ARG A 98 0.107 -10.187 -4.909 1.00 0.00 H new ATOM 0 HD3 ARG A 98 0.094 -8.435 -4.895 1.00 0.00 H new ATOM 0 HE ARG A 98 -0.535 -9.420 -7.584 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.766 -9.023 -4.322 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -3.449 -8.902 -4.847 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -2.681 -9.262 -8.236 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -3.960 -9.036 -7.039 1.00 0.00 H new ATOM 581 N PHE A 99 3.468 -5.572 -8.059 1.00 0.00 N ATOM 582 CA PHE A 99 3.560 -4.408 -8.992 1.00 0.00 C ATOM 583 C PHE A 99 5.037 -3.997 -9.145 1.00 0.00 C ATOM 584 O PHE A 99 5.354 -2.893 -9.545 1.00 0.00 O ATOM 585 CB PHE A 99 2.722 -3.246 -8.434 1.00 0.00 C ATOM 586 CG PHE A 99 1.238 -3.564 -8.551 1.00 0.00 C ATOM 587 CD1 PHE A 99 0.594 -4.319 -7.557 1.00 0.00 C ATOM 588 CD2 PHE A 99 0.503 -3.097 -9.652 1.00 0.00 C ATOM 589 CE1 PHE A 99 -0.778 -4.601 -7.665 1.00 0.00 C ATOM 590 CE2 PHE A 99 -0.869 -3.378 -9.756 1.00 0.00 C ATOM 591 CZ PHE A 99 -1.507 -4.131 -8.764 1.00 0.00 C ATOM 0 H PHE A 99 3.507 -5.331 -7.069 1.00 0.00 H new ATOM 0 HA PHE A 99 3.171 -4.678 -9.974 1.00 0.00 H new ATOM 0 HB2 PHE A 99 2.982 -3.069 -7.390 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.949 -2.330 -8.979 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.154 -4.683 -6.709 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.994 -2.520 -10.421 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.271 -5.181 -6.899 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.432 -3.013 -10.602 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.561 -4.350 -8.846 1.00 0.00 H new ATOM 601 N ASN A 100 5.943 -4.896 -8.829 1.00 0.00 N ATOM 602 CA ASN A 100 7.407 -4.594 -8.950 1.00 0.00 C ATOM 603 C ASN A 100 7.758 -4.282 -10.408 1.00 0.00 C ATOM 604 O ASN A 100 8.543 -3.397 -10.698 1.00 0.00 O ATOM 605 CB ASN A 100 8.208 -5.821 -8.492 1.00 0.00 C ATOM 606 CG ASN A 100 9.711 -5.560 -8.646 1.00 0.00 C ATOM 607 OD1 ASN A 100 10.114 -4.606 -9.282 1.00 0.00 O ATOM 608 ND2 ASN A 100 10.563 -6.381 -8.089 1.00 0.00 N ATOM 0 H ASN A 100 5.728 -5.834 -8.490 1.00 0.00 H new ATOM 0 HA ASN A 100 7.651 -3.731 -8.330 1.00 0.00 H new ATOM 0 HB2 ASN A 100 7.976 -6.048 -7.452 1.00 0.00 H new ATOM 0 HB3 ASN A 100 7.921 -6.692 -9.080 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.565 -6.221 -8.188 1.00 0.00 H new ATOM 0 HD22 ASN A 100 10.225 -7.182 -7.555 1.00 0.00 H new ATOM 615 N THR A 101 7.187 -5.006 -11.336 1.00 0.00 N ATOM 616 CA THR A 101 7.483 -4.756 -12.781 1.00 0.00 C ATOM 617 C THR A 101 6.443 -3.793 -13.352 1.00 0.00 C ATOM 618 O THR A 101 6.563 -3.322 -14.468 1.00 0.00 O ATOM 619 CB THR A 101 7.418 -6.079 -13.549 1.00 0.00 C ATOM 620 OG1 THR A 101 6.073 -6.538 -13.583 1.00 0.00 O ATOM 621 CG2 THR A 101 8.296 -7.117 -12.853 1.00 0.00 C ATOM 0 H THR A 101 6.526 -5.762 -11.156 1.00 0.00 H new ATOM 0 HA THR A 101 8.478 -4.323 -12.879 1.00 0.00 H new ATOM 0 HB THR A 101 7.777 -5.928 -14.567 1.00 0.00 H new ATOM 0 HG1 THR A 101 6.028 -7.384 -14.076 1.00 0.00 H new ATOM 0 HG21 THR A 101 8.249 -8.059 -13.400 1.00 0.00 H new ATOM 0 HG22 THR A 101 9.327 -6.763 -12.827 1.00 0.00 H new ATOM 0 HG23 THR A 101 7.939 -7.271 -11.835 1.00 0.00 H new ATOM 629 N LYS A 102 5.420 -3.490 -12.591 1.00 0.00 N ATOM 630 CA LYS A 102 4.360 -2.552 -13.076 1.00 0.00 C ATOM 631 C LYS A 102 4.530 -1.186 -12.382 1.00 0.00 C ATOM 632 O LYS A 102 4.214 -1.047 -11.218 1.00 0.00 O ATOM 633 CB LYS A 102 2.983 -3.114 -12.729 1.00 0.00 C ATOM 634 CG LYS A 102 2.846 -4.520 -13.316 1.00 0.00 C ATOM 635 CD LYS A 102 1.584 -5.185 -12.763 1.00 0.00 C ATOM 636 CE LYS A 102 0.355 -4.339 -13.107 1.00 0.00 C ATOM 637 NZ LYS A 102 0.489 -3.801 -14.491 1.00 0.00 N ATOM 0 H LYS A 102 5.273 -3.854 -11.650 1.00 0.00 H new ATOM 0 HA LYS A 102 4.449 -2.435 -14.156 1.00 0.00 H new ATOM 0 HB2 LYS A 102 2.853 -3.145 -11.647 1.00 0.00 H new ATOM 0 HB3 LYS A 102 2.202 -2.465 -13.125 1.00 0.00 H new ATOM 0 HG2 LYS A 102 2.795 -4.468 -14.404 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.723 -5.117 -13.066 1.00 0.00 H new ATOM 0 HD2 LYS A 102 1.476 -6.185 -13.182 1.00 0.00 H new ATOM 0 HD3 LYS A 102 1.667 -5.299 -11.682 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -0.549 -4.943 -13.027 1.00 0.00 H new ATOM 0 HE3 LYS A 102 0.255 -3.519 -12.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -0.452 -3.558 -14.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 1.086 -2.950 -14.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 0.927 -4.520 -15.102 1.00 0.00 H new ATOM 651 N PRO A 103 5.019 -0.182 -13.076 1.00 0.00 N ATOM 652 CA PRO A 103 5.213 1.173 -12.482 1.00 0.00 C ATOM 653 C PRO A 103 3.948 1.687 -11.780 1.00 0.00 C ATOM 654 O PRO A 103 2.843 1.261 -12.062 1.00 0.00 O ATOM 655 CB PRO A 103 5.570 2.070 -13.683 1.00 0.00 C ATOM 656 CG PRO A 103 6.080 1.144 -14.746 1.00 0.00 C ATOM 657 CD PRO A 103 5.450 -0.228 -14.484 1.00 0.00 C ATOM 0 HA PRO A 103 5.985 1.164 -11.712 1.00 0.00 H new ATOM 0 HB2 PRO A 103 4.698 2.623 -14.031 1.00 0.00 H new ATOM 0 HB3 PRO A 103 6.326 2.806 -13.410 1.00 0.00 H new ATOM 0 HG2 PRO A 103 5.811 1.509 -15.737 1.00 0.00 H new ATOM 0 HG3 PRO A 103 7.168 1.082 -14.714 1.00 0.00 H new ATOM 0 HD2 PRO A 103 4.606 -0.410 -15.150 1.00 0.00 H new ATOM 0 HD3 PRO A 103 6.167 -1.031 -14.652 1.00 0.00 H new ATOM 665 N ILE A 104 4.111 2.600 -10.862 1.00 0.00 N ATOM 666 CA ILE A 104 2.934 3.152 -10.134 1.00 0.00 C ATOM 667 C ILE A 104 2.029 3.910 -11.111 1.00 0.00 C ATOM 668 O ILE A 104 0.818 3.804 -11.072 1.00 0.00 O ATOM 669 CB ILE A 104 3.413 4.108 -9.035 1.00 0.00 C ATOM 670 CG1 ILE A 104 4.142 3.307 -7.952 1.00 0.00 C ATOM 671 CG2 ILE A 104 2.211 4.831 -8.421 1.00 0.00 C ATOM 672 CD1 ILE A 104 4.829 4.262 -6.972 1.00 0.00 C ATOM 0 H ILE A 104 5.012 2.989 -10.584 1.00 0.00 H new ATOM 0 HA ILE A 104 2.373 2.332 -9.685 1.00 0.00 H new ATOM 0 HB ILE A 104 4.092 4.845 -9.463 1.00 0.00 H new ATOM 0 HG12 ILE A 104 3.435 2.672 -7.419 1.00 0.00 H new ATOM 0 HG13 ILE A 104 4.880 2.648 -8.409 1.00 0.00 H new ATOM 0 HG21 ILE A 104 2.555 5.510 -7.640 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.694 5.399 -9.194 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.527 4.099 -7.991 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.346 3.686 -6.204 1.00 0.00 H new ATOM 0 HD12 ILE A 104 5.550 4.879 -7.509 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.082 4.902 -6.504 1.00 0.00 H new ATOM 684 N GLN A 105 2.617 4.686 -11.978 1.00 0.00 N ATOM 685 CA GLN A 105 1.817 5.476 -12.958 1.00 0.00 C ATOM 686 C GLN A 105 1.141 4.541 -13.964 1.00 0.00 C ATOM 687 O GLN A 105 0.286 4.950 -14.728 1.00 0.00 O ATOM 688 CB GLN A 105 2.751 6.442 -13.699 1.00 0.00 C ATOM 689 CG GLN A 105 3.753 5.650 -14.548 1.00 0.00 C ATOM 690 CD GLN A 105 4.818 6.600 -15.107 1.00 0.00 C ATOM 691 OE1 GLN A 105 4.588 7.278 -16.089 1.00 0.00 O ATOM 692 NE2 GLN A 105 5.981 6.677 -14.520 1.00 0.00 N ATOM 0 H GLN A 105 3.627 4.808 -12.051 1.00 0.00 H new ATOM 0 HA GLN A 105 1.046 6.036 -12.429 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.169 7.109 -14.335 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.283 7.069 -12.983 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.224 4.875 -13.944 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.235 5.147 -15.365 1.00 0.00 H new ATOM 0 HE21 GLN A 105 6.175 6.108 -13.696 1.00 0.00 H new ATOM 0 HE22 GLN A 105 6.696 7.306 -14.885 1.00 0.00 H new ATOM 701 N THR A 106 1.514 3.289 -13.973 1.00 0.00 N ATOM 702 CA THR A 106 0.898 2.320 -14.935 1.00 0.00 C ATOM 703 C THR A 106 -0.179 1.495 -14.218 1.00 0.00 C ATOM 704 O THR A 106 -0.786 0.613 -14.796 1.00 0.00 O ATOM 705 CB THR A 106 1.986 1.388 -15.477 1.00 0.00 C ATOM 706 OG1 THR A 106 2.786 0.921 -14.399 1.00 0.00 O ATOM 707 CG2 THR A 106 2.863 2.151 -16.472 1.00 0.00 C ATOM 0 H THR A 106 2.221 2.891 -13.355 1.00 0.00 H new ATOM 0 HA THR A 106 0.440 2.865 -15.760 1.00 0.00 H new ATOM 0 HB THR A 106 1.522 0.540 -15.980 1.00 0.00 H new ATOM 0 HG1 THR A 106 2.272 0.969 -13.566 1.00 0.00 H new ATOM 0 HG21 THR A 106 3.637 1.488 -16.858 1.00 0.00 H new ATOM 0 HG22 THR A 106 2.249 2.510 -17.298 1.00 0.00 H new ATOM 0 HG23 THR A 106 3.329 2.999 -15.970 1.00 0.00 H new ATOM 715 N ILE A 107 -0.427 1.781 -12.966 1.00 0.00 N ATOM 716 CA ILE A 107 -1.467 1.012 -12.216 1.00 0.00 C ATOM 717 C ILE A 107 -2.860 1.449 -12.671 1.00 0.00 C ATOM 718 O ILE A 107 -3.164 2.625 -12.762 1.00 0.00 O ATOM 719 CB ILE A 107 -1.315 1.253 -10.712 1.00 0.00 C ATOM 720 CG1 ILE A 107 0.015 0.658 -10.241 1.00 0.00 C ATOM 721 CG2 ILE A 107 -2.469 0.583 -9.960 1.00 0.00 C ATOM 722 CD1 ILE A 107 0.286 1.074 -8.794 1.00 0.00 C ATOM 0 H ILE A 107 0.043 2.511 -12.431 1.00 0.00 H new ATOM 0 HA ILE A 107 -1.338 -0.051 -12.420 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.332 2.324 -10.512 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.015 -0.429 -10.317 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.825 1.000 -10.885 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.356 0.758 -8.890 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.416 1.003 -10.298 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -2.457 -0.489 -10.156 1.00 0.00 H new ATOM 0 HD11 ILE A 107 1.233 0.648 -8.464 1.00 0.00 H new ATOM 0 HD12 ILE A 107 0.336 2.161 -8.731 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.518 0.710 -8.154 1.00 0.00 H new ATOM 734 N LYS A 108 -3.709 0.499 -12.964 1.00 0.00 N ATOM 735 CA LYS A 108 -5.087 0.824 -13.428 1.00 0.00 C ATOM 736 C LYS A 108 -6.065 0.798 -12.254 1.00 0.00 C ATOM 737 O LYS A 108 -5.793 0.246 -11.203 1.00 0.00 O ATOM 738 CB LYS A 108 -5.524 -0.205 -14.469 1.00 0.00 C ATOM 739 CG LYS A 108 -4.678 -0.043 -15.734 1.00 0.00 C ATOM 740 CD LYS A 108 -5.021 -1.153 -16.737 1.00 0.00 C ATOM 741 CE LYS A 108 -6.462 -0.986 -17.229 1.00 0.00 C ATOM 742 NZ LYS A 108 -6.647 -1.745 -18.497 1.00 0.00 N ATOM 0 H LYS A 108 -3.503 -0.498 -12.900 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.086 1.822 -13.865 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.411 -1.213 -14.070 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -6.580 -0.073 -14.705 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.861 0.934 -16.182 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.618 -0.084 -15.481 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -4.333 -1.117 -17.582 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.899 -2.129 -16.268 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -7.159 -1.346 -16.473 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -6.682 0.069 -17.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -7.626 -1.631 -18.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -5.991 -1.382 -19.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -6.454 -2.753 -18.330 1.00 0.00 H new ATOM 756 N LYS A 109 -7.202 1.405 -12.436 1.00 0.00 N ATOM 757 CA LYS A 109 -8.226 1.450 -11.354 1.00 0.00 C ATOM 758 C LYS A 109 -8.686 0.033 -11.003 1.00 0.00 C ATOM 759 O LYS A 109 -8.855 -0.315 -9.849 1.00 0.00 O ATOM 760 CB LYS A 109 -9.425 2.261 -11.849 1.00 0.00 C ATOM 761 CG LYS A 109 -10.457 2.430 -10.726 1.00 0.00 C ATOM 762 CD LYS A 109 -9.856 3.270 -9.585 1.00 0.00 C ATOM 763 CE LYS A 109 -10.974 3.917 -8.777 1.00 0.00 C ATOM 764 NZ LYS A 109 -11.625 4.972 -9.600 1.00 0.00 N ATOM 0 H LYS A 109 -7.470 1.878 -13.299 1.00 0.00 H new ATOM 0 HA LYS A 109 -7.796 1.911 -10.465 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -9.092 3.239 -12.196 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -9.884 1.760 -12.701 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -11.353 2.915 -11.113 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.761 1.453 -10.349 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -9.246 2.639 -8.939 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -9.199 4.038 -9.993 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -11.707 3.166 -8.481 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -10.573 4.350 -7.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -12.020 5.705 -8.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -10.922 5.400 -10.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -12.389 4.549 -10.165 1.00 0.00 H new ATOM 778 N HIS A 110 -8.899 -0.781 -11.996 1.00 0.00 N ATOM 779 CA HIS A 110 -9.359 -2.177 -11.744 1.00 0.00 C ATOM 780 C HIS A 110 -8.264 -2.949 -11.004 1.00 0.00 C ATOM 781 O HIS A 110 -8.532 -3.762 -10.138 1.00 0.00 O ATOM 782 CB HIS A 110 -9.643 -2.859 -13.084 1.00 0.00 C ATOM 783 CG HIS A 110 -10.923 -2.326 -13.667 1.00 0.00 C ATOM 784 ND1 HIS A 110 -10.987 -1.107 -14.328 1.00 0.00 N ATOM 785 CD2 HIS A 110 -12.197 -2.836 -13.699 1.00 0.00 C ATOM 786 CE1 HIS A 110 -12.261 -0.927 -14.723 1.00 0.00 C ATOM 787 NE2 HIS A 110 -13.040 -1.950 -14.365 1.00 0.00 N ATOM 0 H HIS A 110 -8.774 -0.540 -12.979 1.00 0.00 H new ATOM 0 HA HIS A 110 -10.265 -2.162 -11.138 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -8.818 -2.683 -13.774 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -9.718 -3.937 -12.945 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -12.500 -3.781 -13.272 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -12.611 -0.060 -15.264 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -14.039 -2.059 -14.541 1.00 0.00 H new ATOM 795 N ASP A 111 -7.031 -2.700 -11.345 1.00 0.00 N ATOM 796 CA ASP A 111 -5.900 -3.409 -10.678 1.00 0.00 C ATOM 797 C ASP A 111 -5.885 -3.072 -9.183 1.00 0.00 C ATOM 798 O ASP A 111 -5.656 -3.921 -8.341 1.00 0.00 O ATOM 799 CB ASP A 111 -4.583 -2.948 -11.308 1.00 0.00 C ATOM 800 CG ASP A 111 -4.446 -3.540 -12.711 1.00 0.00 C ATOM 801 OD1 ASP A 111 -5.260 -4.378 -13.062 1.00 0.00 O ATOM 802 OD2 ASP A 111 -3.527 -3.145 -13.411 1.00 0.00 O ATOM 0 H ASP A 111 -6.754 -2.030 -12.063 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.021 -4.485 -10.804 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -4.554 -1.860 -11.358 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -3.743 -3.261 -10.688 1.00 0.00 H new ATOM 807 N TYR A 112 -6.121 -1.834 -8.852 1.00 0.00 N ATOM 808 CA TYR A 112 -6.121 -1.417 -7.419 1.00 0.00 C ATOM 809 C TYR A 112 -7.221 -2.163 -6.658 1.00 0.00 C ATOM 810 O TYR A 112 -7.021 -2.632 -5.551 1.00 0.00 O ATOM 811 CB TYR A 112 -6.374 0.089 -7.331 1.00 0.00 C ATOM 812 CG TYR A 112 -6.471 0.498 -5.879 1.00 0.00 C ATOM 813 CD1 TYR A 112 -5.310 0.604 -5.106 1.00 0.00 C ATOM 814 CD2 TYR A 112 -7.720 0.767 -5.306 1.00 0.00 C ATOM 815 CE1 TYR A 112 -5.397 0.976 -3.760 1.00 0.00 C ATOM 816 CE2 TYR A 112 -7.807 1.140 -3.960 1.00 0.00 C ATOM 817 CZ TYR A 112 -6.645 1.245 -3.187 1.00 0.00 C ATOM 818 OH TYR A 112 -6.730 1.612 -1.860 1.00 0.00 O ATOM 0 H TYR A 112 -6.316 -1.086 -9.517 1.00 0.00 H new ATOM 0 HA TYR A 112 -5.154 -1.656 -6.975 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -5.567 0.634 -7.820 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -7.295 0.345 -7.855 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -4.346 0.399 -5.548 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -8.616 0.687 -5.903 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -4.501 1.056 -3.163 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -8.770 1.347 -3.518 1.00 0.00 H new ATOM 0 HH TYR A 112 -6.189 2.415 -1.707 1.00 0.00 H new ATOM 828 N GLN A 113 -8.385 -2.268 -7.237 1.00 0.00 N ATOM 829 CA GLN A 113 -9.505 -2.975 -6.549 1.00 0.00 C ATOM 830 C GLN A 113 -9.111 -4.436 -6.318 1.00 0.00 C ATOM 831 O GLN A 113 -9.437 -5.033 -5.310 1.00 0.00 O ATOM 832 CB GLN A 113 -10.756 -2.923 -7.436 1.00 0.00 C ATOM 833 CG GLN A 113 -11.953 -3.524 -6.691 1.00 0.00 C ATOM 834 CD GLN A 113 -12.298 -2.648 -5.486 1.00 0.00 C ATOM 835 OE1 GLN A 113 -12.231 -1.436 -5.560 1.00 0.00 O ATOM 836 NE2 GLN A 113 -12.666 -3.213 -4.369 1.00 0.00 N ATOM 0 H GLN A 113 -8.611 -1.894 -8.159 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.712 -2.494 -5.593 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -10.971 -1.892 -7.715 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -10.579 -3.473 -8.360 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -12.811 -3.596 -7.359 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -11.719 -4.537 -6.362 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -12.722 -4.229 -4.306 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -12.897 -2.638 -3.559 1.00 0.00 H new ATOM 845 N ARG A 114 -8.412 -5.012 -7.255 1.00 0.00 N ATOM 846 CA ARG A 114 -7.982 -6.436 -7.122 1.00 0.00 C ATOM 847 C ARG A 114 -7.084 -6.598 -5.892 1.00 0.00 C ATOM 848 O ARG A 114 -7.202 -7.545 -5.137 1.00 0.00 O ATOM 849 CB ARG A 114 -7.199 -6.833 -8.376 1.00 0.00 C ATOM 850 CG ARG A 114 -6.814 -8.312 -8.298 1.00 0.00 C ATOM 851 CD ARG A 114 -6.095 -8.724 -9.585 1.00 0.00 C ATOM 852 NE ARG A 114 -5.720 -10.165 -9.498 1.00 0.00 N ATOM 853 CZ ARG A 114 -5.150 -10.768 -10.509 1.00 0.00 C ATOM 854 NH1 ARG A 114 -4.907 -10.120 -11.616 1.00 0.00 N ATOM 855 NH2 ARG A 114 -4.825 -12.027 -10.409 1.00 0.00 N ATOM 0 H ARG A 114 -8.116 -4.554 -8.117 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.859 -7.073 -7.008 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -7.802 -6.651 -9.266 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -6.303 -6.219 -8.467 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -6.168 -8.485 -7.437 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -7.705 -8.923 -8.156 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -6.741 -8.556 -10.447 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -5.205 -8.112 -9.730 1.00 0.00 H new ATOM 0 HE ARG A 114 -5.910 -10.685 -8.642 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -5.162 -9.136 -11.697 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -4.462 -10.598 -12.400 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -5.016 -12.536 -9.546 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -4.380 -12.503 -11.194 1.00 0.00 H new ATOM 869 N PHE A 115 -6.177 -5.682 -5.695 1.00 0.00 N ATOM 870 CA PHE A 115 -5.256 -5.767 -4.523 1.00 0.00 C ATOM 871 C PHE A 115 -6.058 -5.718 -3.221 1.00 0.00 C ATOM 872 O PHE A 115 -5.795 -6.454 -2.290 1.00 0.00 O ATOM 873 CB PHE A 115 -4.272 -4.598 -4.564 1.00 0.00 C ATOM 874 CG PHE A 115 -3.384 -4.644 -3.340 1.00 0.00 C ATOM 875 CD1 PHE A 115 -2.456 -5.681 -3.191 1.00 0.00 C ATOM 876 CD2 PHE A 115 -3.492 -3.654 -2.353 1.00 0.00 C ATOM 877 CE1 PHE A 115 -1.635 -5.728 -2.059 1.00 0.00 C ATOM 878 CE2 PHE A 115 -2.671 -3.702 -1.221 1.00 0.00 C ATOM 879 CZ PHE A 115 -1.742 -4.739 -1.073 1.00 0.00 C ATOM 0 H PHE A 115 -6.032 -4.873 -6.298 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.708 -6.708 -4.566 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -3.666 -4.650 -5.468 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -4.814 -3.653 -4.598 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.374 -6.445 -3.950 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -4.209 -2.854 -2.467 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -0.918 -6.528 -1.945 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -2.754 -2.939 -0.461 1.00 0.00 H new ATOM 0 HZ PHE A 115 -1.108 -4.776 -0.199 1.00 0.00 H new ATOM 889 N VAL A 116 -7.029 -4.848 -3.145 1.00 0.00 N ATOM 890 CA VAL A 116 -7.847 -4.744 -1.899 1.00 0.00 C ATOM 891 C VAL A 116 -8.537 -6.086 -1.637 1.00 0.00 C ATOM 892 O VAL A 116 -8.567 -6.583 -0.526 1.00 0.00 O ATOM 893 CB VAL A 116 -8.915 -3.660 -2.075 1.00 0.00 C ATOM 894 CG1 VAL A 116 -9.837 -3.647 -0.854 1.00 0.00 C ATOM 895 CG2 VAL A 116 -8.242 -2.294 -2.219 1.00 0.00 C ATOM 0 H VAL A 116 -7.292 -4.204 -3.891 1.00 0.00 H new ATOM 0 HA VAL A 116 -7.200 -4.487 -1.060 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.500 -3.872 -2.970 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -10.597 -2.875 -0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -10.320 -4.619 -0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -9.252 -3.437 0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -9.004 -1.524 -2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -7.655 -2.082 -1.325 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -7.587 -2.301 -3.090 1.00 0.00 H new ATOM 905 N ASP A 117 -9.098 -6.668 -2.659 1.00 0.00 N ATOM 906 CA ASP A 117 -9.796 -7.978 -2.505 1.00 0.00 C ATOM 907 C ASP A 117 -8.791 -9.063 -2.102 1.00 0.00 C ATOM 908 O ASP A 117 -9.089 -9.948 -1.322 1.00 0.00 O ATOM 909 CB ASP A 117 -10.432 -8.361 -3.844 1.00 0.00 C ATOM 910 CG ASP A 117 -11.633 -7.459 -4.122 1.00 0.00 C ATOM 911 OD1 ASP A 117 -12.107 -6.832 -3.190 1.00 0.00 O ATOM 912 OD2 ASP A 117 -12.057 -7.406 -5.266 1.00 0.00 O ATOM 0 H ASP A 117 -9.104 -6.289 -3.606 1.00 0.00 H new ATOM 0 HA ASP A 117 -10.561 -7.891 -1.733 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -9.700 -8.265 -4.646 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -10.746 -9.405 -3.823 1.00 0.00 H new ATOM 917 N ASP A 118 -7.607 -9.010 -2.649 1.00 0.00 N ATOM 918 CA ASP A 118 -6.574 -10.041 -2.330 1.00 0.00 C ATOM 919 C ASP A 118 -6.245 -10.026 -0.832 1.00 0.00 C ATOM 920 O ASP A 118 -6.177 -11.057 -0.190 1.00 0.00 O ATOM 921 CB ASP A 118 -5.304 -9.733 -3.128 1.00 0.00 C ATOM 922 CG ASP A 118 -4.244 -10.801 -2.847 1.00 0.00 C ATOM 923 OD1 ASP A 118 -4.476 -11.621 -1.973 1.00 0.00 O ATOM 924 OD2 ASP A 118 -3.221 -10.780 -3.509 1.00 0.00 O ATOM 0 H ASP A 118 -7.307 -8.292 -3.308 1.00 0.00 H new ATOM 0 HA ASP A 118 -6.959 -11.026 -2.594 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -5.531 -9.704 -4.194 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -4.923 -8.749 -2.857 1.00 0.00 H new ATOM 929 N ILE A 119 -6.032 -8.865 -0.272 1.00 0.00 N ATOM 930 CA ILE A 119 -5.699 -8.783 1.184 1.00 0.00 C ATOM 931 C ILE A 119 -6.945 -9.077 2.025 1.00 0.00 C ATOM 932 O ILE A 119 -6.856 -9.489 3.166 1.00 0.00 O ATOM 933 CB ILE A 119 -5.168 -7.381 1.512 1.00 0.00 C ATOM 934 CG1 ILE A 119 -6.186 -6.321 1.073 1.00 0.00 C ATOM 935 CG2 ILE A 119 -3.848 -7.154 0.776 1.00 0.00 C ATOM 936 CD1 ILE A 119 -5.740 -4.941 1.571 1.00 0.00 C ATOM 0 H ILE A 119 -6.074 -7.969 -0.758 1.00 0.00 H new ATOM 0 HA ILE A 119 -4.933 -9.523 1.418 1.00 0.00 H new ATOM 0 HB ILE A 119 -5.008 -7.300 2.587 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -6.275 -6.315 -0.013 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -7.171 -6.562 1.472 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -3.469 -6.159 1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -3.121 -7.902 1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -4.011 -7.239 -0.298 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -6.465 -4.189 1.258 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -5.674 -4.951 2.659 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -4.763 -4.701 1.151 1.00 0.00 H new ATOM 948 N SER A 120 -8.106 -8.868 1.471 1.00 0.00 N ATOM 949 CA SER A 120 -9.361 -9.132 2.234 1.00 0.00 C ATOM 950 C SER A 120 -9.428 -10.610 2.628 1.00 0.00 C ATOM 951 O SER A 120 -9.829 -10.958 3.723 1.00 0.00 O ATOM 952 CB SER A 120 -10.566 -8.789 1.355 1.00 0.00 C ATOM 953 OG SER A 120 -10.478 -7.432 0.941 1.00 0.00 O ATOM 0 H SER A 120 -8.242 -8.525 0.520 1.00 0.00 H new ATOM 0 HA SER A 120 -9.372 -8.518 3.135 1.00 0.00 H new ATOM 0 HB2 SER A 120 -10.594 -9.445 0.485 1.00 0.00 H new ATOM 0 HB3 SER A 120 -11.491 -8.953 1.907 1.00 0.00 H new ATOM 0 HG SER A 120 -9.686 -7.313 0.376 1.00 0.00 H new ATOM 959 N ALA A 121 -9.041 -11.482 1.737 1.00 0.00 N ATOM 960 CA ALA A 121 -9.082 -12.941 2.044 1.00 0.00 C ATOM 961 C ALA A 121 -7.898 -13.317 2.942 1.00 0.00 C ATOM 962 O ALA A 121 -7.816 -14.421 3.447 1.00 0.00 O ATOM 963 CB ALA A 121 -8.995 -13.730 0.735 1.00 0.00 C ATOM 0 H ALA A 121 -8.697 -11.246 0.806 1.00 0.00 H new ATOM 0 HA ALA A 121 -10.013 -13.177 2.560 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -9.024 -14.798 0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -9.837 -13.466 0.095 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -8.062 -13.488 0.226 1.00 0.00 H new ATOM 969 N GLN A 122 -6.982 -12.405 3.148 1.00 0.00 N ATOM 970 CA GLN A 122 -5.797 -12.697 4.018 1.00 0.00 C ATOM 971 C GLN A 122 -5.989 -12.023 5.377 1.00 0.00 C ATOM 972 O GLN A 122 -5.318 -12.340 6.341 1.00 0.00 O ATOM 973 CB GLN A 122 -4.533 -12.140 3.358 1.00 0.00 C ATOM 974 CG GLN A 122 -4.228 -12.933 2.086 1.00 0.00 C ATOM 975 CD GLN A 122 -3.010 -12.329 1.382 1.00 0.00 C ATOM 976 OE1 GLN A 122 -3.054 -11.204 0.923 1.00 0.00 O ATOM 977 NE2 GLN A 122 -1.917 -13.034 1.279 1.00 0.00 N ATOM 0 H GLN A 122 -7.002 -11.466 2.750 1.00 0.00 H new ATOM 0 HA GLN A 122 -5.699 -13.775 4.150 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -4.670 -11.086 3.118 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -3.692 -12.203 4.048 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -4.036 -13.977 2.334 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -5.091 -12.917 1.420 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -1.881 -13.978 1.664 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -1.099 -12.641 0.813 1.00 0.00 H new ATOM 986 N TYR A 123 -6.898 -11.085 5.463 1.00 0.00 N ATOM 987 CA TYR A 123 -7.127 -10.378 6.760 1.00 0.00 C ATOM 988 C TYR A 123 -8.595 -9.976 6.897 1.00 0.00 C ATOM 989 O TYR A 123 -9.335 -9.915 5.933 1.00 0.00 O ATOM 990 CB TYR A 123 -6.259 -9.125 6.825 1.00 0.00 C ATOM 991 CG TYR A 123 -4.805 -9.519 6.753 1.00 0.00 C ATOM 992 CD1 TYR A 123 -4.152 -9.994 7.896 1.00 0.00 C ATOM 993 CD2 TYR A 123 -4.112 -9.411 5.543 1.00 0.00 C ATOM 994 CE1 TYR A 123 -2.803 -10.360 7.829 1.00 0.00 C ATOM 995 CE2 TYR A 123 -2.763 -9.777 5.476 1.00 0.00 C ATOM 996 CZ TYR A 123 -2.108 -10.252 6.619 1.00 0.00 C ATOM 997 OH TYR A 123 -0.778 -10.612 6.553 1.00 0.00 O ATOM 0 H TYR A 123 -7.491 -10.778 4.692 1.00 0.00 H new ATOM 0 HA TYR A 123 -6.863 -11.054 7.573 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -6.507 -8.454 6.002 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -6.455 -8.581 7.749 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -4.689 -10.078 8.829 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -4.617 -9.046 4.661 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -2.298 -10.726 8.711 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -2.227 -9.693 4.542 1.00 0.00 H new ATOM 0 HH TYR A 123 -0.447 -10.477 5.640 1.00 0.00 H new ATOM 1007 N SER A 124 -9.010 -9.699 8.103 1.00 0.00 N ATOM 1008 CA SER A 124 -10.420 -9.300 8.353 1.00 0.00 C ATOM 1009 C SER A 124 -10.709 -7.931 7.735 1.00 0.00 C ATOM 1010 O SER A 124 -9.831 -7.108 7.558 1.00 0.00 O ATOM 1011 CB SER A 124 -10.664 -9.242 9.863 1.00 0.00 C ATOM 1012 OG SER A 124 -10.812 -10.564 10.363 1.00 0.00 O ATOM 0 H SER A 124 -8.422 -9.733 8.936 1.00 0.00 H new ATOM 0 HA SER A 124 -11.083 -10.034 7.895 1.00 0.00 H new ATOM 0 HB2 SER A 124 -9.831 -8.744 10.359 1.00 0.00 H new ATOM 0 HB3 SER A 124 -11.559 -8.657 10.077 1.00 0.00 H new ATOM 0 HG SER A 124 -10.967 -10.533 11.330 1.00 0.00 H new ATOM 1018 N LYS A 125 -11.951 -7.694 7.416 1.00 0.00 N ATOM 1019 CA LYS A 125 -12.356 -6.398 6.805 1.00 0.00 C ATOM 1020 C LYS A 125 -12.019 -5.249 7.762 1.00 0.00 C ATOM 1021 O LYS A 125 -11.683 -4.153 7.348 1.00 0.00 O ATOM 1022 CB LYS A 125 -13.866 -6.429 6.560 1.00 0.00 C ATOM 1023 CG LYS A 125 -14.291 -5.180 5.789 1.00 0.00 C ATOM 1024 CD LYS A 125 -15.783 -5.269 5.457 1.00 0.00 C ATOM 1025 CE LYS A 125 -16.199 -4.050 4.634 1.00 0.00 C ATOM 1026 NZ LYS A 125 -16.055 -2.817 5.458 1.00 0.00 N ATOM 0 H LYS A 125 -12.715 -8.355 7.556 1.00 0.00 H new ATOM 0 HA LYS A 125 -11.824 -6.246 5.866 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -14.134 -7.323 5.998 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -14.397 -6.479 7.511 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -14.092 -4.288 6.383 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -13.708 -5.089 4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -15.988 -6.183 4.900 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -16.368 -5.317 6.375 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -15.582 -3.975 3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -17.231 -4.159 4.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -16.581 -2.038 5.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -16.434 -2.990 6.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -15.049 -2.561 5.527 1.00 0.00 H new ATOM 1040 N ASN A 126 -12.109 -5.499 9.039 1.00 0.00 N ATOM 1041 CA ASN A 126 -11.801 -4.440 10.045 1.00 0.00 C ATOM 1042 C ASN A 126 -10.339 -4.009 9.899 1.00 0.00 C ATOM 1043 O ASN A 126 -9.973 -2.890 10.202 1.00 0.00 O ATOM 1044 CB ASN A 126 -12.018 -4.999 11.454 1.00 0.00 C ATOM 1045 CG ASN A 126 -13.424 -5.586 11.574 1.00 0.00 C ATOM 1046 OD1 ASN A 126 -13.603 -6.654 12.129 1.00 0.00 O ATOM 1047 ND2 ASN A 126 -14.438 -4.931 11.079 1.00 0.00 N ATOM 0 H ASN A 126 -12.385 -6.398 9.433 1.00 0.00 H new ATOM 0 HA ASN A 126 -12.456 -3.584 9.882 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -11.275 -5.767 11.667 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -11.881 -4.209 12.192 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -15.380 -5.314 11.157 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -14.289 -4.036 10.614 1.00 0.00 H new ATOM 1054 N TYR A 127 -9.496 -4.902 9.450 1.00 0.00 N ATOM 1055 CA TYR A 127 -8.047 -4.570 9.282 1.00 0.00 C ATOM 1056 C TYR A 127 -7.800 -4.059 7.857 1.00 0.00 C ATOM 1057 O TYR A 127 -6.848 -3.350 7.590 1.00 0.00 O ATOM 1058 CB TYR A 127 -7.219 -5.838 9.514 1.00 0.00 C ATOM 1059 CG TYR A 127 -5.767 -5.470 9.704 1.00 0.00 C ATOM 1060 CD1 TYR A 127 -5.352 -4.888 10.907 1.00 0.00 C ATOM 1061 CD2 TYR A 127 -4.834 -5.712 8.686 1.00 0.00 C ATOM 1062 CE1 TYR A 127 -4.010 -4.544 11.094 1.00 0.00 C ATOM 1063 CE2 TYR A 127 -3.488 -5.368 8.875 1.00 0.00 C ATOM 1064 CZ TYR A 127 -3.078 -4.785 10.079 1.00 0.00 C ATOM 1065 OH TYR A 127 -1.753 -4.444 10.264 1.00 0.00 O ATOM 0 H TYR A 127 -9.750 -5.855 9.190 1.00 0.00 H new ATOM 0 HA TYR A 127 -7.760 -3.800 9.998 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -7.587 -6.369 10.392 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -7.325 -6.513 8.665 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -6.070 -4.704 11.693 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -5.152 -6.163 7.757 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -3.693 -4.092 12.022 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -2.768 -5.553 8.092 1.00 0.00 H new ATOM 0 HH TYR A 127 -1.695 -3.671 10.863 1.00 0.00 H new ATOM 1075 N VAL A 128 -8.656 -4.425 6.941 1.00 0.00 N ATOM 1076 CA VAL A 128 -8.492 -3.980 5.523 1.00 0.00 C ATOM 1077 C VAL A 128 -8.633 -2.458 5.434 1.00 0.00 C ATOM 1078 O VAL A 128 -7.885 -1.791 4.743 1.00 0.00 O ATOM 1079 CB VAL A 128 -9.571 -4.646 4.661 1.00 0.00 C ATOM 1080 CG1 VAL A 128 -9.584 -4.021 3.261 1.00 0.00 C ATOM 1081 CG2 VAL A 128 -9.283 -6.149 4.546 1.00 0.00 C ATOM 0 H VAL A 128 -9.468 -5.017 7.114 1.00 0.00 H new ATOM 0 HA VAL A 128 -7.503 -4.266 5.165 1.00 0.00 H new ATOM 0 HB VAL A 128 -10.543 -4.495 5.130 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -10.353 -4.500 2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -9.796 -2.955 3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -8.611 -4.163 2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -10.051 -6.621 3.933 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -8.307 -6.298 4.084 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -9.286 -6.597 5.540 1.00 0.00 H new ATOM 1091 N ASP A 129 -9.595 -1.907 6.119 1.00 0.00 N ATOM 1092 CA ASP A 129 -9.798 -0.429 6.068 1.00 0.00 C ATOM 1093 C ASP A 129 -8.488 0.290 6.402 1.00 0.00 C ATOM 1094 O ASP A 129 -8.112 1.257 5.763 1.00 0.00 O ATOM 1095 CB ASP A 129 -10.872 -0.030 7.089 1.00 0.00 C ATOM 1096 CG ASP A 129 -10.447 -0.476 8.492 1.00 0.00 C ATOM 1097 OD1 ASP A 129 -9.536 -1.278 8.590 1.00 0.00 O ATOM 1098 OD2 ASP A 129 -11.049 -0.010 9.448 1.00 0.00 O ATOM 0 H ASP A 129 -10.251 -2.415 6.713 1.00 0.00 H new ATOM 0 HA ASP A 129 -10.117 -0.144 5.065 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -11.021 1.050 7.070 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -11.825 -0.488 6.825 1.00 0.00 H new ATOM 1103 N SER A 130 -7.790 -0.176 7.398 1.00 0.00 N ATOM 1104 CA SER A 130 -6.504 0.465 7.788 1.00 0.00 C ATOM 1105 C SER A 130 -5.480 0.294 6.664 1.00 0.00 C ATOM 1106 O SER A 130 -4.739 1.201 6.336 1.00 0.00 O ATOM 1107 CB SER A 130 -5.981 -0.209 9.055 1.00 0.00 C ATOM 1108 OG SER A 130 -5.799 -1.597 8.804 1.00 0.00 O ATOM 0 H SER A 130 -8.058 -0.981 7.964 1.00 0.00 H new ATOM 0 HA SER A 130 -6.664 1.528 7.969 1.00 0.00 H new ATOM 0 HB2 SER A 130 -5.038 0.245 9.360 1.00 0.00 H new ATOM 0 HB3 SER A 130 -6.684 -0.064 9.875 1.00 0.00 H new ATOM 0 HG SER A 130 -6.578 -1.948 8.324 1.00 0.00 H new ATOM 1114 N ILE A 131 -5.439 -0.867 6.073 1.00 0.00 N ATOM 1115 CA ILE A 131 -4.471 -1.115 4.964 1.00 0.00 C ATOM 1116 C ILE A 131 -4.823 -0.223 3.771 1.00 0.00 C ATOM 1117 O ILE A 131 -3.962 0.354 3.132 1.00 0.00 O ATOM 1118 CB ILE A 131 -4.551 -2.586 4.538 1.00 0.00 C ATOM 1119 CG1 ILE A 131 -4.012 -3.477 5.661 1.00 0.00 C ATOM 1120 CG2 ILE A 131 -3.717 -2.802 3.273 1.00 0.00 C ATOM 1121 CD1 ILE A 131 -4.345 -4.943 5.361 1.00 0.00 C ATOM 0 H ILE A 131 -6.036 -1.659 6.310 1.00 0.00 H new ATOM 0 HA ILE A 131 -3.461 -0.887 5.305 1.00 0.00 H new ATOM 0 HB ILE A 131 -5.590 -2.845 4.336 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -2.933 -3.350 5.753 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -4.450 -3.182 6.615 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -3.776 -3.848 2.973 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -4.102 -2.172 2.471 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -2.678 -2.540 3.473 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -3.960 -5.575 6.162 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -5.426 -5.064 5.291 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -3.886 -5.234 4.416 1.00 0.00 H new ATOM 1133 N VAL A 132 -6.084 -0.124 3.459 1.00 0.00 N ATOM 1134 CA VAL A 132 -6.513 0.711 2.301 1.00 0.00 C ATOM 1135 C VAL A 132 -6.129 2.173 2.542 1.00 0.00 C ATOM 1136 O VAL A 132 -5.606 2.845 1.672 1.00 0.00 O ATOM 1137 CB VAL A 132 -8.034 0.606 2.144 1.00 0.00 C ATOM 1138 CG1 VAL A 132 -8.513 1.584 1.068 1.00 0.00 C ATOM 1139 CG2 VAL A 132 -8.411 -0.821 1.739 1.00 0.00 C ATOM 0 H VAL A 132 -6.842 -0.588 3.959 1.00 0.00 H new ATOM 0 HA VAL A 132 -6.020 0.356 1.396 1.00 0.00 H new ATOM 0 HB VAL A 132 -8.509 0.853 3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -9.595 1.505 0.960 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -8.250 2.601 1.358 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -8.035 1.343 0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -9.493 -0.894 1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -7.931 -1.069 0.792 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -8.078 -1.518 2.508 1.00 0.00 H new ATOM 1149 N ALA A 133 -6.390 2.674 3.718 1.00 0.00 N ATOM 1150 CA ALA A 133 -6.048 4.095 4.024 1.00 0.00 C ATOM 1151 C ALA A 133 -4.533 4.297 3.930 1.00 0.00 C ATOM 1152 O ALA A 133 -4.052 5.224 3.306 1.00 0.00 O ATOM 1153 CB ALA A 133 -6.513 4.425 5.444 1.00 0.00 C ATOM 0 H ALA A 133 -6.827 2.160 4.483 1.00 0.00 H new ATOM 0 HA ALA A 133 -6.543 4.750 3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -6.267 5.461 5.676 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -7.591 4.283 5.516 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -6.012 3.766 6.153 1.00 0.00 H new ATOM 1159 N SER A 134 -3.778 3.430 4.551 1.00 0.00 N ATOM 1160 CA SER A 134 -2.291 3.555 4.508 1.00 0.00 C ATOM 1161 C SER A 134 -1.795 3.387 3.069 1.00 0.00 C ATOM 1162 O SER A 134 -0.934 4.109 2.604 1.00 0.00 O ATOM 1163 CB SER A 134 -1.670 2.469 5.387 1.00 0.00 C ATOM 1164 OG SER A 134 -0.254 2.597 5.363 1.00 0.00 O ATOM 0 H SER A 134 -4.129 2.637 5.089 1.00 0.00 H new ATOM 0 HA SER A 134 -2.001 4.540 4.874 1.00 0.00 H new ATOM 0 HB2 SER A 134 -2.037 2.558 6.409 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.964 1.483 5.028 1.00 0.00 H new ATOM 0 HG SER A 134 -0.011 3.480 5.015 1.00 0.00 H new ATOM 1170 N THR A 135 -2.337 2.432 2.364 1.00 0.00 N ATOM 1171 CA THR A 135 -1.910 2.196 0.954 1.00 0.00 C ATOM 1172 C THR A 135 -2.244 3.421 0.099 1.00 0.00 C ATOM 1173 O THR A 135 -1.447 3.873 -0.703 1.00 0.00 O ATOM 1174 CB THR A 135 -2.647 0.974 0.401 1.00 0.00 C ATOM 1175 OG1 THR A 135 -2.284 -0.181 1.144 1.00 0.00 O ATOM 1176 CG2 THR A 135 -2.285 0.783 -1.069 1.00 0.00 C ATOM 0 H THR A 135 -3.062 1.801 2.706 1.00 0.00 H new ATOM 0 HA THR A 135 -0.834 2.021 0.927 1.00 0.00 H new ATOM 0 HB THR A 135 -3.722 1.128 0.488 1.00 0.00 H new ATOM 0 HG1 THR A 135 -2.866 -0.261 1.929 1.00 0.00 H new ATOM 0 HG21 THR A 135 -2.810 -0.087 -1.463 1.00 0.00 H new ATOM 0 HG22 THR A 135 -2.576 1.669 -1.634 1.00 0.00 H new ATOM 0 HG23 THR A 135 -1.210 0.631 -1.162 1.00 0.00 H new ATOM 1184 N ASN A 136 -3.419 3.960 0.265 1.00 0.00 N ATOM 1185 CA ASN A 136 -3.825 5.160 -0.527 1.00 0.00 C ATOM 1186 C ASN A 136 -2.891 6.325 -0.204 1.00 0.00 C ATOM 1187 O ASN A 136 -2.528 7.107 -1.063 1.00 0.00 O ATOM 1188 CB ASN A 136 -5.260 5.547 -0.167 1.00 0.00 C ATOM 1189 CG ASN A 136 -6.233 4.516 -0.738 1.00 0.00 C ATOM 1190 OD1 ASN A 136 -5.916 3.823 -1.683 1.00 0.00 O ATOM 1191 ND2 ASN A 136 -7.414 4.380 -0.199 1.00 0.00 N ATOM 0 H ASN A 136 -4.123 3.620 0.920 1.00 0.00 H new ATOM 0 HA ASN A 136 -3.765 4.929 -1.590 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -5.370 5.604 0.916 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -5.490 6.536 -0.563 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -8.069 3.692 -0.572 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -7.682 4.961 0.595 1.00 0.00 H new ATOM 1198 N MET A 137 -2.504 6.449 1.032 1.00 0.00 N ATOM 1199 CA MET A 137 -1.596 7.561 1.429 1.00 0.00 C ATOM 1200 C MET A 137 -0.268 7.427 0.680 1.00 0.00 C ATOM 1201 O MET A 137 0.321 8.403 0.255 1.00 0.00 O ATOM 1202 CB MET A 137 -1.343 7.484 2.937 1.00 0.00 C ATOM 1203 CG MET A 137 -2.555 8.023 3.702 1.00 0.00 C ATOM 1204 SD MET A 137 -2.701 9.807 3.425 1.00 0.00 S ATOM 1205 CE MET A 137 -1.205 10.314 4.315 1.00 0.00 C ATOM 0 H MET A 137 -2.779 5.825 1.790 1.00 0.00 H new ATOM 0 HA MET A 137 -2.054 8.518 1.181 1.00 0.00 H new ATOM 0 HB2 MET A 137 -1.149 6.452 3.229 1.00 0.00 H new ATOM 0 HB3 MET A 137 -0.455 8.061 3.195 1.00 0.00 H new ATOM 0 HG2 MET A 137 -3.462 7.517 3.370 1.00 0.00 H new ATOM 0 HG3 MET A 137 -2.447 7.817 4.767 1.00 0.00 H new ATOM 0 HE1 MET A 137 -1.426 11.185 4.932 1.00 0.00 H new ATOM 0 HE2 MET A 137 -0.865 9.496 4.950 1.00 0.00 H new ATOM 0 HE3 MET A 137 -0.423 10.566 3.598 1.00 0.00 H new ATOM 1215 N ILE A 138 0.212 6.225 0.526 1.00 0.00 N ATOM 1216 CA ILE A 138 1.505 6.021 -0.191 1.00 0.00 C ATOM 1217 C ILE A 138 1.363 6.466 -1.652 1.00 0.00 C ATOM 1218 O ILE A 138 2.215 7.144 -2.195 1.00 0.00 O ATOM 1219 CB ILE A 138 1.872 4.534 -0.141 1.00 0.00 C ATOM 1220 CG1 ILE A 138 2.191 4.143 1.305 1.00 0.00 C ATOM 1221 CG2 ILE A 138 3.094 4.275 -1.027 1.00 0.00 C ATOM 1222 CD1 ILE A 138 2.324 2.621 1.418 1.00 0.00 C ATOM 0 H ILE A 138 -0.234 5.373 0.865 1.00 0.00 H new ATOM 0 HA ILE A 138 2.287 6.612 0.287 1.00 0.00 H new ATOM 0 HB ILE A 138 1.035 3.938 -0.505 1.00 0.00 H new ATOM 0 HG12 ILE A 138 3.117 4.622 1.624 1.00 0.00 H new ATOM 0 HG13 ILE A 138 1.403 4.498 1.969 1.00 0.00 H new ATOM 0 HG21 ILE A 138 3.353 3.217 -0.990 1.00 0.00 H new ATOM 0 HG22 ILE A 138 2.864 4.556 -2.055 1.00 0.00 H new ATOM 0 HG23 ILE A 138 3.936 4.867 -0.668 1.00 0.00 H new ATOM 0 HD11 ILE A 138 2.551 2.351 2.449 1.00 0.00 H new ATOM 0 HD12 ILE A 138 1.388 2.151 1.117 1.00 0.00 H new ATOM 0 HD13 ILE A 138 3.128 2.277 0.768 1.00 0.00 H new ATOM 1234 N PHE A 139 0.287 6.090 -2.290 1.00 0.00 N ATOM 1235 CA PHE A 139 0.077 6.494 -3.711 1.00 0.00 C ATOM 1236 C PHE A 139 -0.170 8.001 -3.783 1.00 0.00 C ATOM 1237 O PHE A 139 0.356 8.695 -4.633 1.00 0.00 O ATOM 1238 CB PHE A 139 -1.135 5.746 -4.275 1.00 0.00 C ATOM 1239 CG PHE A 139 -0.757 4.308 -4.551 1.00 0.00 C ATOM 1240 CD1 PHE A 139 0.175 4.018 -5.553 1.00 0.00 C ATOM 1241 CD2 PHE A 139 -1.334 3.266 -3.811 1.00 0.00 C ATOM 1242 CE1 PHE A 139 0.533 2.690 -5.815 1.00 0.00 C ATOM 1243 CE2 PHE A 139 -0.976 1.937 -4.075 1.00 0.00 C ATOM 1244 CZ PHE A 139 -0.043 1.651 -5.078 1.00 0.00 C ATOM 0 H PHE A 139 -0.457 5.520 -1.888 1.00 0.00 H new ATOM 0 HA PHE A 139 0.962 6.247 -4.297 1.00 0.00 H new ATOM 0 HB2 PHE A 139 -1.962 5.786 -3.566 1.00 0.00 H new ATOM 0 HB3 PHE A 139 -1.477 6.226 -5.192 1.00 0.00 H new ATOM 0 HD1 PHE A 139 0.619 4.819 -6.125 1.00 0.00 H new ATOM 0 HD2 PHE A 139 -2.054 3.488 -3.037 1.00 0.00 H new ATOM 0 HE1 PHE A 139 1.255 2.468 -6.587 1.00 0.00 H new ATOM 0 HE2 PHE A 139 -1.420 1.134 -3.505 1.00 0.00 H new ATOM 0 HZ PHE A 139 0.232 0.627 -5.283 1.00 0.00 H new ATOM 1254 N LYS A 140 -0.967 8.511 -2.885 1.00 0.00 N ATOM 1255 CA LYS A 140 -1.255 9.974 -2.874 1.00 0.00 C ATOM 1256 C LYS A 140 0.030 10.740 -2.555 1.00 0.00 C ATOM 1257 O LYS A 140 0.296 11.794 -3.100 1.00 0.00 O ATOM 1258 CB LYS A 140 -2.311 10.275 -1.804 1.00 0.00 C ATOM 1259 CG LYS A 140 -2.927 11.653 -2.061 1.00 0.00 C ATOM 1260 CD LYS A 140 -4.095 11.881 -1.096 1.00 0.00 C ATOM 1261 CE LYS A 140 -3.589 11.905 0.354 1.00 0.00 C ATOM 1262 NZ LYS A 140 -3.525 10.511 0.876 1.00 0.00 N ATOM 0 H LYS A 140 -1.434 7.974 -2.154 1.00 0.00 H new ATOM 0 HA LYS A 140 -1.629 10.282 -3.850 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -3.087 9.510 -1.820 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -1.857 10.248 -0.813 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -2.174 12.430 -1.927 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -3.275 11.721 -3.092 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -4.592 12.822 -1.331 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -4.836 11.091 -1.217 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -2.603 12.368 0.400 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -4.254 12.507 0.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -4.421 10.276 1.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -3.366 9.852 0.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -2.743 10.431 1.557 1.00 0.00 H new ATOM 1276 N TYR A 141 0.827 10.207 -1.672 1.00 0.00 N ATOM 1277 CA TYR A 141 2.103 10.881 -1.301 1.00 0.00 C ATOM 1278 C TYR A 141 2.980 11.017 -2.546 1.00 0.00 C ATOM 1279 O TYR A 141 3.555 12.057 -2.810 1.00 0.00 O ATOM 1280 CB TYR A 141 2.835 10.031 -0.259 1.00 0.00 C ATOM 1281 CG TYR A 141 4.194 10.629 0.017 1.00 0.00 C ATOM 1282 CD1 TYR A 141 4.312 11.740 0.859 1.00 0.00 C ATOM 1283 CD2 TYR A 141 5.339 10.075 -0.574 1.00 0.00 C ATOM 1284 CE1 TYR A 141 5.571 12.297 1.112 1.00 0.00 C ATOM 1285 CE2 TYR A 141 6.597 10.633 -0.322 1.00 0.00 C ATOM 1286 CZ TYR A 141 6.713 11.744 0.521 1.00 0.00 C ATOM 1287 OH TYR A 141 7.954 12.295 0.769 1.00 0.00 O ATOM 0 H TYR A 141 0.648 9.327 -1.188 1.00 0.00 H new ATOM 0 HA TYR A 141 1.893 11.868 -0.890 1.00 0.00 H new ATOM 0 HB2 TYR A 141 2.253 9.985 0.661 1.00 0.00 H new ATOM 0 HB3 TYR A 141 2.943 9.008 -0.620 1.00 0.00 H new ATOM 0 HD1 TYR A 141 3.431 12.168 1.314 1.00 0.00 H new ATOM 0 HD2 TYR A 141 5.250 9.217 -1.224 1.00 0.00 H new ATOM 0 HE1 TYR A 141 5.661 13.154 1.763 1.00 0.00 H new ATOM 0 HE2 TYR A 141 7.478 10.206 -0.778 1.00 0.00 H new ATOM 0 HH TYR A 141 8.639 11.791 0.282 1.00 0.00 H new ATOM 1297 N ALA A 142 3.083 9.967 -3.311 1.00 0.00 N ATOM 1298 CA ALA A 142 3.917 10.011 -4.546 1.00 0.00 C ATOM 1299 C ALA A 142 3.345 11.058 -5.504 1.00 0.00 C ATOM 1300 O ALA A 142 4.069 11.786 -6.158 1.00 0.00 O ATOM 1301 CB ALA A 142 3.883 8.637 -5.217 1.00 0.00 C ATOM 0 H ALA A 142 2.623 9.074 -3.134 1.00 0.00 H new ATOM 0 HA ALA A 142 4.944 10.273 -4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 142 4.490 8.659 -6.122 1.00 0.00 H new ATOM 0 HB2 ALA A 142 4.279 7.888 -4.532 1.00 0.00 H new ATOM 0 HB3 ALA A 142 2.855 8.384 -5.476 1.00 0.00 H new ATOM 1307 N TYR A 143 2.047 11.139 -5.582 1.00 0.00 N ATOM 1308 CA TYR A 143 1.402 12.138 -6.482 1.00 0.00 C ATOM 1309 C TYR A 143 1.719 13.553 -5.990 1.00 0.00 C ATOM 1310 O TYR A 143 1.968 14.456 -6.766 1.00 0.00 O ATOM 1311 CB TYR A 143 -0.113 11.926 -6.475 1.00 0.00 C ATOM 1312 CG TYR A 143 -0.772 12.995 -7.313 1.00 0.00 C ATOM 1313 CD1 TYR A 143 -0.858 12.842 -8.701 1.00 0.00 C ATOM 1314 CD2 TYR A 143 -1.294 14.141 -6.701 1.00 0.00 C ATOM 1315 CE1 TYR A 143 -1.466 13.835 -9.479 1.00 0.00 C ATOM 1316 CE2 TYR A 143 -1.903 15.134 -7.478 1.00 0.00 C ATOM 1317 CZ TYR A 143 -1.988 14.981 -8.868 1.00 0.00 C ATOM 1318 OH TYR A 143 -2.588 15.959 -9.634 1.00 0.00 O ATOM 0 H TYR A 143 1.399 10.552 -5.057 1.00 0.00 H new ATOM 0 HA TYR A 143 1.784 12.012 -7.495 1.00 0.00 H new ATOM 0 HB2 TYR A 143 -0.355 10.939 -6.869 1.00 0.00 H new ATOM 0 HB3 TYR A 143 -0.492 11.964 -5.454 1.00 0.00 H new ATOM 0 HD1 TYR A 143 -0.455 11.958 -9.173 1.00 0.00 H new ATOM 0 HD2 TYR A 143 -1.227 14.259 -5.630 1.00 0.00 H new ATOM 0 HE1 TYR A 143 -1.532 13.717 -10.550 1.00 0.00 H new ATOM 0 HE2 TYR A 143 -2.307 16.017 -7.006 1.00 0.00 H new ATOM 0 HH TYR A 143 -2.897 16.686 -9.053 1.00 0.00 H new ATOM 1328 N ASP A 144 1.701 13.752 -4.698 1.00 0.00 N ATOM 1329 CA ASP A 144 1.989 15.105 -4.139 1.00 0.00 C ATOM 1330 C ASP A 144 3.399 15.537 -4.544 1.00 0.00 C ATOM 1331 O ASP A 144 3.628 16.662 -4.948 1.00 0.00 O ATOM 1332 CB ASP A 144 1.894 15.049 -2.611 1.00 0.00 C ATOM 1333 CG ASP A 144 2.168 16.437 -2.027 1.00 0.00 C ATOM 1334 OD1 ASP A 144 2.554 17.311 -2.785 1.00 0.00 O ATOM 1335 OD2 ASP A 144 1.982 16.601 -0.834 1.00 0.00 O ATOM 0 H ASP A 144 1.498 13.033 -4.004 1.00 0.00 H new ATOM 0 HA ASP A 144 1.266 15.822 -4.527 1.00 0.00 H new ATOM 0 HB2 ASP A 144 0.904 14.706 -2.311 1.00 0.00 H new ATOM 0 HB3 ASP A 144 2.613 14.330 -2.218 1.00 0.00 H new ATOM 1340 N THR A 145 4.347 14.645 -4.452 1.00 0.00 N ATOM 1341 CA THR A 145 5.742 14.994 -4.842 1.00 0.00 C ATOM 1342 C THR A 145 5.815 15.131 -6.368 1.00 0.00 C ATOM 1343 O THR A 145 6.881 15.181 -6.953 1.00 0.00 O ATOM 1344 CB THR A 145 6.692 13.883 -4.377 1.00 0.00 C ATOM 1345 OG1 THR A 145 6.603 13.754 -2.963 1.00 0.00 O ATOM 1346 CG2 THR A 145 8.140 14.220 -4.771 1.00 0.00 C ATOM 0 H THR A 145 4.215 13.688 -4.123 1.00 0.00 H new ATOM 0 HA THR A 145 6.034 15.935 -4.376 1.00 0.00 H new ATOM 0 HB THR A 145 6.407 12.946 -4.855 1.00 0.00 H new ATOM 0 HG1 THR A 145 7.207 13.044 -2.661 1.00 0.00 H new ATOM 0 HG21 THR A 145 8.803 13.423 -4.435 1.00 0.00 H new ATOM 0 HG22 THR A 145 8.209 14.317 -5.854 1.00 0.00 H new ATOM 0 HG23 THR A 145 8.435 15.159 -4.303 1.00 0.00 H new ATOM 1354 N ARG A 146 4.671 15.182 -7.003 1.00 0.00 N ATOM 1355 CA ARG A 146 4.609 15.305 -8.491 1.00 0.00 C ATOM 1356 C ARG A 146 5.357 14.129 -9.130 1.00 0.00 C ATOM 1357 O ARG A 146 5.680 14.140 -10.304 1.00 0.00 O ATOM 1358 CB ARG A 146 5.228 16.640 -8.941 1.00 0.00 C ATOM 1359 CG ARG A 146 4.361 17.806 -8.450 1.00 0.00 C ATOM 1360 CD ARG A 146 5.028 19.140 -8.817 1.00 0.00 C ATOM 1361 NE ARG A 146 5.081 19.277 -10.301 1.00 0.00 N ATOM 1362 CZ ARG A 146 5.693 20.293 -10.856 1.00 0.00 C ATOM 1363 NH1 ARG A 146 6.269 21.202 -10.116 1.00 0.00 N ATOM 1364 NH2 ARG A 146 5.725 20.399 -12.156 1.00 0.00 N ATOM 0 H ARG A 146 3.761 15.143 -6.544 1.00 0.00 H new ATOM 0 HA ARG A 146 3.567 15.285 -8.811 1.00 0.00 H new ATOM 0 HB2 ARG A 146 6.239 16.735 -8.545 1.00 0.00 H new ATOM 0 HB3 ARG A 146 5.308 16.666 -10.028 1.00 0.00 H new ATOM 0 HG2 ARG A 146 3.370 17.749 -8.900 1.00 0.00 H new ATOM 0 HG3 ARG A 146 4.226 17.741 -7.370 1.00 0.00 H new ATOM 0 HD2 ARG A 146 4.469 19.970 -8.384 1.00 0.00 H new ATOM 0 HD3 ARG A 146 6.035 19.182 -8.401 1.00 0.00 H new ATOM 0 HE ARG A 146 4.636 18.572 -10.889 1.00 0.00 H new ATOM 0 HH11 ARG A 146 6.244 21.123 -9.099 1.00 0.00 H new ATOM 0 HH12 ARG A 146 6.744 21.991 -10.555 1.00 0.00 H new ATOM 0 HH21 ARG A 146 5.274 19.692 -12.737 1.00 0.00 H new ATOM 0 HH22 ARG A 146 6.201 21.189 -12.592 1.00 0.00 H new ATOM 1378 N LEU A 147 5.618 13.104 -8.361 1.00 0.00 N ATOM 1379 CA LEU A 147 6.334 11.910 -8.901 1.00 0.00 C ATOM 1380 C LEU A 147 5.464 11.247 -9.978 1.00 0.00 C ATOM 1381 O LEU A 147 5.941 10.843 -11.021 1.00 0.00 O ATOM 1382 CB LEU A 147 6.581 10.910 -7.755 1.00 0.00 C ATOM 1383 CG LEU A 147 7.826 10.061 -8.052 1.00 0.00 C ATOM 1384 CD1 LEU A 147 8.088 9.113 -6.879 1.00 0.00 C ATOM 1385 CD2 LEU A 147 7.625 9.253 -9.344 1.00 0.00 C ATOM 0 H LEU A 147 5.364 13.043 -7.375 1.00 0.00 H new ATOM 0 HA LEU A 147 7.287 12.213 -9.335 1.00 0.00 H new ATOM 0 HB2 LEU A 147 6.714 11.447 -6.816 1.00 0.00 H new ATOM 0 HB3 LEU A 147 5.712 10.264 -7.633 1.00 0.00 H new ATOM 0 HG LEU A 147 8.684 10.720 -8.185 1.00 0.00 H new ATOM 0 HD11 LEU A 147 8.971 8.510 -7.089 1.00 0.00 H new ATOM 0 HD12 LEU A 147 8.252 9.694 -5.971 1.00 0.00 H new ATOM 0 HD13 LEU A 147 7.227 8.459 -6.740 1.00 0.00 H new ATOM 0 HD21 LEU A 147 8.515 8.656 -9.542 1.00 0.00 H new ATOM 0 HD22 LEU A 147 6.764 8.594 -9.231 1.00 0.00 H new ATOM 0 HD23 LEU A 147 7.453 9.935 -10.177 1.00 0.00 H new ATOM 1397 N ILE A 148 4.185 11.122 -9.716 1.00 0.00 N ATOM 1398 CA ILE A 148 3.260 10.473 -10.698 1.00 0.00 C ATOM 1399 C ILE A 148 2.124 11.424 -11.056 1.00 0.00 C ATOM 1400 O ILE A 148 1.648 12.192 -10.242 1.00 0.00 O ATOM 1401 CB ILE A 148 2.688 9.184 -10.087 1.00 0.00 C ATOM 1402 CG1 ILE A 148 1.941 9.499 -8.781 1.00 0.00 C ATOM 1403 CG2 ILE A 148 3.831 8.206 -9.799 1.00 0.00 C ATOM 1404 CD1 ILE A 148 1.267 8.225 -8.262 1.00 0.00 C ATOM 0 H ILE A 148 3.739 11.444 -8.857 1.00 0.00 H new ATOM 0 HA ILE A 148 3.814 10.231 -11.605 1.00 0.00 H new ATOM 0 HB ILE A 148 1.989 8.737 -10.794 1.00 0.00 H new ATOM 0 HG12 ILE A 148 2.636 9.886 -8.036 1.00 0.00 H new ATOM 0 HG13 ILE A 148 1.195 10.274 -8.954 1.00 0.00 H new ATOM 0 HG21 ILE A 148 3.427 7.291 -9.366 1.00 0.00 H new ATOM 0 HG22 ILE A 148 4.350 7.969 -10.728 1.00 0.00 H new ATOM 0 HG23 ILE A 148 4.531 8.661 -9.098 1.00 0.00 H new ATOM 0 HD11 ILE A 148 0.736 8.446 -7.336 1.00 0.00 H new ATOM 0 HD12 ILE A 148 0.560 7.858 -9.006 1.00 0.00 H new ATOM 0 HD13 ILE A 148 2.024 7.464 -8.074 1.00 0.00 H new ATOM 1416 N LYS A 149 1.685 11.367 -12.283 1.00 0.00 N ATOM 1417 CA LYS A 149 0.575 12.247 -12.740 1.00 0.00 C ATOM 1418 C LYS A 149 -0.750 11.494 -12.607 1.00 0.00 C ATOM 1419 O LYS A 149 -1.816 12.039 -12.816 1.00 0.00 O ATOM 1420 CB LYS A 149 0.817 12.627 -14.206 1.00 0.00 C ATOM 1421 CG LYS A 149 0.849 11.367 -15.084 1.00 0.00 C ATOM 1422 CD LYS A 149 1.046 11.767 -16.555 1.00 0.00 C ATOM 1423 CE LYS A 149 2.508 12.168 -16.807 1.00 0.00 C ATOM 1424 NZ LYS A 149 2.767 12.197 -18.272 1.00 0.00 N ATOM 0 H LYS A 149 2.054 10.739 -12.997 1.00 0.00 H new ATOM 0 HA LYS A 149 0.535 13.151 -12.132 1.00 0.00 H new ATOM 0 HB2 LYS A 149 0.030 13.298 -14.550 1.00 0.00 H new ATOM 0 HB3 LYS A 149 1.759 13.167 -14.298 1.00 0.00 H new ATOM 0 HG2 LYS A 149 1.657 10.709 -14.764 1.00 0.00 H new ATOM 0 HG3 LYS A 149 -0.080 10.809 -14.970 1.00 0.00 H new ATOM 0 HD2 LYS A 149 0.773 10.936 -17.205 1.00 0.00 H new ATOM 0 HD3 LYS A 149 0.386 12.597 -16.805 1.00 0.00 H new ATOM 0 HE2 LYS A 149 2.708 13.147 -16.372 1.00 0.00 H new ATOM 0 HE3 LYS A 149 3.180 11.460 -16.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 3.756 12.468 -18.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 2.591 11.254 -18.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 2.135 12.889 -18.723 1.00 0.00 H new ATOM 1438 N ALA A 150 -0.683 10.232 -12.271 1.00 0.00 N ATOM 1439 CA ALA A 150 -1.927 9.419 -12.136 1.00 0.00 C ATOM 1440 C ALA A 150 -2.441 9.464 -10.695 1.00 0.00 C ATOM 1441 O ALA A 150 -1.787 9.960 -9.796 1.00 0.00 O ATOM 1442 CB ALA A 150 -1.630 7.965 -12.513 1.00 0.00 C ATOM 0 H ALA A 150 0.184 9.728 -12.084 1.00 0.00 H new ATOM 0 HA ALA A 150 -2.687 9.831 -12.800 1.00 0.00 H new ATOM 0 HB1 ALA A 150 -2.538 7.371 -12.415 1.00 0.00 H new ATOM 0 HB2 ALA A 150 -1.278 7.921 -13.544 1.00 0.00 H new ATOM 0 HB3 ALA A 150 -0.862 7.567 -11.850 1.00 0.00 H new ATOM 1448 N MET A 151 -3.615 8.941 -10.483 1.00 0.00 N ATOM 1449 CA MET A 151 -4.208 8.926 -9.120 1.00 0.00 C ATOM 1450 C MET A 151 -5.509 8.117 -9.158 1.00 0.00 C ATOM 1451 O MET A 151 -6.567 8.614 -8.827 1.00 0.00 O ATOM 1452 CB MET A 151 -4.508 10.359 -8.670 1.00 0.00 C ATOM 1453 CG MET A 151 -5.241 11.115 -9.783 1.00 0.00 C ATOM 1454 SD MET A 151 -6.144 12.510 -9.067 1.00 0.00 S ATOM 1455 CE MET A 151 -4.789 13.170 -8.064 1.00 0.00 C ATOM 0 H MET A 151 -4.196 8.518 -11.207 1.00 0.00 H new ATOM 0 HA MET A 151 -3.508 8.473 -8.418 1.00 0.00 H new ATOM 0 HB2 MET A 151 -5.117 10.345 -7.766 1.00 0.00 H new ATOM 0 HB3 MET A 151 -3.579 10.873 -8.421 1.00 0.00 H new ATOM 0 HG2 MET A 151 -4.528 11.472 -10.526 1.00 0.00 H new ATOM 0 HG3 MET A 151 -5.931 10.447 -10.298 1.00 0.00 H new ATOM 0 HE1 MET A 151 -4.903 14.249 -7.964 1.00 0.00 H new ATOM 0 HE2 MET A 151 -4.810 12.709 -7.076 1.00 0.00 H new ATOM 0 HE3 MET A 151 -3.837 12.949 -8.547 1.00 0.00 H new ATOM 1465 N PRO A 152 -5.429 6.875 -9.570 1.00 0.00 N ATOM 1466 CA PRO A 152 -6.618 5.978 -9.660 1.00 0.00 C ATOM 1467 C PRO A 152 -7.150 5.615 -8.269 1.00 0.00 C ATOM 1468 O PRO A 152 -8.265 5.154 -8.113 1.00 0.00 O ATOM 1469 CB PRO A 152 -6.084 4.730 -10.390 1.00 0.00 C ATOM 1470 CG PRO A 152 -4.608 4.726 -10.136 1.00 0.00 C ATOM 1471 CD PRO A 152 -4.193 6.194 -9.991 1.00 0.00 C ATOM 0 HA PRO A 152 -7.454 6.446 -10.179 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -6.551 3.822 -10.010 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -6.299 4.776 -11.457 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -4.370 4.164 -9.233 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -4.073 4.250 -10.958 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -3.400 6.313 -9.252 1.00 0.00 H new ATOM 0 HD3 PRO A 152 -3.816 6.597 -10.931 1.00 0.00 H new