USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 920 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: B 102 THR OG1 : rot -112:sc= 0.836 USER MOD Set 1.2: B 104 THR OG1 : rot 180:sc= 1.02 USER MOD Set 2.1: B 89 GLN : amide:sc= -5.44! C(o=-5.3!,f=-4.9!) USER MOD Set 2.2: B 93 HIS : no HD1:sc= 0.115 K(o=-5.3,f=-15!) USER MOD Set 3.1: B 53 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.062) USER MOD Set 3.2: B 54 SER OG : rot 180:sc= 0 USER MOD Set 4.1: B 41 HIS : no HD1:sc= -0.803 K(o=-3.3,f=-2.5) USER MOD Set 4.2: B 90 GLN : amide:sc= -2.52! C(o=-3.3!,f=-5.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0272 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.199 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0351 X(o=-0.035,f=0) USER MOD Single : A 21 THR OG1 : rot -89:sc= 1.14 USER MOD Single : A 22 SER OG : rot 81:sc= 0.0904 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : B 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 34 SER OG : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.838 K(o=0.84,f=-0.012) USER MOD Single : B 38 GLN : amide:sc= -0.0298 X(o=-0.03,f=-0.23) USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 43 SER OG : rot 180:sc= 0 USER MOD Single : B 44 LYS NZ :NH3+ 177:sc= -2.18 (180deg=-2.21) USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 LYS NZ :NH3+ 166:sc= -0.0356 (180deg=-0.233) USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 THR OG1 : rot 180:sc= 0 USER MOD Single : B 66 HIS : no HD1:sc= -0.082 X(o=-0.082,f=-0.032) USER MOD Single : B 68 ASN : amide:sc=-0.00273 K(o=-0.0027,f=-2!) USER MOD Single : B 69 SER OG : rot 180:sc= -0.823 USER MOD Single : B 70 TYR OH : rot 180:sc= 0 USER MOD Single : B 71 THR OG1 : rot 180:sc= 0 USER MOD Single : B 73 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0269) USER MOD Single : B 76 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0512) USER MOD Single : B 81 TYR OH : rot 180:sc= 0.95 USER MOD Single : B 84 GLN : amide:sc= 0.213 X(o=0.21,f=-0.14) USER MOD Single : B 87 SER OG : rot -163:sc= -2.04! USER MOD Single : B 91 TYR OH : rot -47:sc= 0.401 USER MOD Single : B 94 GLN : amide:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : B 97 THR OG1 : rot -120:sc= -1.41 USER MOD Single : B 103 THR OG1 : rot -150:sc= 0 USER MOD Single : B 105 SER OG : rot 152:sc= 1.26 USER MOD Single : B 106 THR OG1 : rot 63:sc= 0.122 USER MOD Single : B 107 SER OG : rot -47:sc= 0.0719 USER MOD Single : B 108 THR OG1 : rot 180:sc= 0 USER MOD Single : B 111 SER OG : rot -40:sc= 0.336 USER MOD Single : B 113 SER OG : rot 180:sc= 0 USER MOD Single : B 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 116 HIS : no HD1:sc= -0.253 X(o=-0.25,f=-0.22) USER MOD Single : B 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 118 HIS : no HE2:sc= 0.0231 X(o=0.023,f=-0.48) USER MOD Single : B 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.077 16.613 2.680 1.00 0.00 N ATOM 2 CA GLY A 1 14.039 16.473 3.729 1.00 0.00 C ATOM 3 C GLY A 1 13.011 17.585 3.675 1.00 0.00 C ATOM 4 O GLY A 1 12.938 18.420 4.577 1.00 0.00 O ATOM 0 H1 GLY A 1 15.757 15.830 2.758 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.628 16.590 1.742 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.575 17.517 2.803 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.537 15.512 3.614 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.515 16.469 4.710 1.00 0.00 H new ATOM 10 N SER A 2 12.213 17.602 2.618 1.00 0.00 N ATOM 11 CA SER A 2 11.190 18.623 2.455 1.00 0.00 C ATOM 12 C SER A 2 9.867 18.015 1.998 1.00 0.00 C ATOM 13 O SER A 2 8.809 18.624 2.150 1.00 0.00 O ATOM 14 CB SER A 2 11.658 19.682 1.455 1.00 0.00 C ATOM 15 OG SER A 2 12.104 19.084 0.246 1.00 0.00 O ATOM 0 H SER A 2 12.254 16.920 1.860 1.00 0.00 H new ATOM 0 HA SER A 2 11.026 19.093 3.424 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.841 20.372 1.243 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.465 20.269 1.893 1.00 0.00 H new ATOM 0 HG SER A 2 12.396 19.783 -0.376 1.00 0.00 H new ATOM 21 N GLN A 3 9.927 16.810 1.450 1.00 0.00 N ATOM 22 CA GLN A 3 8.739 16.173 0.903 1.00 0.00 C ATOM 23 C GLN A 3 7.896 15.534 2.000 1.00 0.00 C ATOM 24 O GLN A 3 6.688 15.376 1.845 1.00 0.00 O ATOM 25 CB GLN A 3 9.122 15.126 -0.146 1.00 0.00 C ATOM 26 CG GLN A 3 9.837 15.712 -1.352 1.00 0.00 C ATOM 27 CD GLN A 3 10.087 14.688 -2.441 1.00 0.00 C ATOM 28 OE1 GLN A 3 9.319 13.742 -2.610 1.00 0.00 O ATOM 29 NE2 GLN A 3 11.165 14.869 -3.186 1.00 0.00 N ATOM 0 H GLN A 3 10.780 16.257 1.373 1.00 0.00 H new ATOM 0 HA GLN A 3 8.141 16.948 0.425 1.00 0.00 H new ATOM 0 HB2 GLN A 3 9.763 14.376 0.318 1.00 0.00 H new ATOM 0 HB3 GLN A 3 8.221 14.612 -0.481 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.243 16.530 -1.759 1.00 0.00 H new ATOM 0 HG3 GLN A 3 10.789 16.137 -1.033 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.776 15.667 -3.013 1.00 0.00 H new ATOM 0 HE22 GLN A 3 11.385 14.211 -3.933 1.00 0.00 H new ATOM 38 N THR A 4 8.520 15.191 3.114 1.00 0.00 N ATOM 39 CA THR A 4 7.820 14.512 4.196 1.00 0.00 C ATOM 40 C THR A 4 7.129 15.498 5.137 1.00 0.00 C ATOM 41 O THR A 4 7.124 15.309 6.351 1.00 0.00 O ATOM 42 CB THR A 4 8.781 13.616 4.998 1.00 0.00 C ATOM 43 OG1 THR A 4 10.040 14.283 5.183 1.00 0.00 O ATOM 44 CG2 THR A 4 8.998 12.287 4.290 1.00 0.00 C ATOM 0 H THR A 4 9.508 15.370 3.295 1.00 0.00 H new ATOM 0 HA THR A 4 7.053 13.890 3.733 1.00 0.00 H new ATOM 0 HB THR A 4 8.333 13.420 5.972 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.644 13.706 5.696 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.680 11.670 4.875 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.044 11.771 4.184 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.426 12.466 3.303 1.00 0.00 H new ATOM 52 N THR A 5 6.544 16.543 4.570 1.00 0.00 N ATOM 53 CA THR A 5 5.805 17.518 5.351 1.00 0.00 C ATOM 54 C THR A 5 4.457 16.947 5.780 1.00 0.00 C ATOM 55 O THR A 5 4.247 16.630 6.952 1.00 0.00 O ATOM 56 CB THR A 5 5.592 18.808 4.540 1.00 0.00 C ATOM 57 OG1 THR A 5 5.239 18.472 3.190 1.00 0.00 O ATOM 58 CG2 THR A 5 6.847 19.668 4.546 1.00 0.00 C ATOM 0 H THR A 5 6.568 16.736 3.569 1.00 0.00 H new ATOM 0 HA THR A 5 6.388 17.754 6.242 1.00 0.00 H new ATOM 0 HB THR A 5 4.785 19.378 5.000 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.102 19.294 2.674 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.670 20.574 3.966 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.099 19.937 5.572 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.673 19.110 4.105 1.00 0.00 H new ATOM 66 N ALA A 6 3.555 16.800 4.821 1.00 0.00 N ATOM 67 CA ALA A 6 2.264 16.177 5.066 1.00 0.00 C ATOM 68 C ALA A 6 2.028 15.056 4.060 1.00 0.00 C ATOM 69 O ALA A 6 1.316 15.236 3.071 1.00 0.00 O ATOM 70 CB ALA A 6 1.149 17.211 4.995 1.00 0.00 C ATOM 0 H ALA A 6 3.696 17.107 3.858 1.00 0.00 H new ATOM 0 HA ALA A 6 2.263 15.750 6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.191 16.726 5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.318 17.981 5.748 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.139 17.668 4.005 1.00 0.00 H new ATOM 76 N PRO A 7 2.643 13.888 4.294 1.00 0.00 N ATOM 77 CA PRO A 7 2.573 12.752 3.372 1.00 0.00 C ATOM 78 C PRO A 7 1.170 12.166 3.270 1.00 0.00 C ATOM 79 O PRO A 7 0.446 12.081 4.265 1.00 0.00 O ATOM 80 CB PRO A 7 3.537 11.722 3.984 1.00 0.00 C ATOM 81 CG PRO A 7 4.341 12.477 4.986 1.00 0.00 C ATOM 82 CD PRO A 7 3.449 13.573 5.481 1.00 0.00 C ATOM 0 HA PRO A 7 2.833 13.047 2.355 1.00 0.00 H new ATOM 0 HB2 PRO A 7 2.991 10.904 4.454 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.177 11.280 3.220 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.655 11.829 5.804 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.247 12.883 4.535 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.830 13.246 6.317 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.019 14.436 5.825 1.00 0.00 H new ATOM 90 N ASP A 8 0.796 11.752 2.068 1.00 0.00 N ATOM 91 CA ASP A 8 -0.512 11.151 1.832 1.00 0.00 C ATOM 92 C ASP A 8 -0.450 9.646 2.042 1.00 0.00 C ATOM 93 O ASP A 8 -0.811 8.861 1.164 1.00 0.00 O ATOM 94 CB ASP A 8 -1.022 11.470 0.422 1.00 0.00 C ATOM 95 CG ASP A 8 -1.659 12.842 0.321 1.00 0.00 C ATOM 96 OD1 ASP A 8 -2.899 12.920 0.180 1.00 0.00 O ATOM 97 OD2 ASP A 8 -0.929 13.855 0.391 1.00 0.00 O ATOM 0 H ASP A 8 1.382 11.821 1.236 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.212 11.579 2.550 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.192 11.408 -0.282 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.749 10.715 0.125 1.00 0.00 H new ATOM 102 N ALA A 9 0.027 9.252 3.213 1.00 0.00 N ATOM 103 CA ALA A 9 0.134 7.849 3.562 1.00 0.00 C ATOM 104 C ALA A 9 -1.086 7.405 4.354 1.00 0.00 C ATOM 105 O ALA A 9 -1.374 7.956 5.420 1.00 0.00 O ATOM 106 CB ALA A 9 1.404 7.598 4.359 1.00 0.00 C ATOM 0 H ALA A 9 0.347 9.891 3.940 1.00 0.00 H new ATOM 0 HA ALA A 9 0.180 7.265 2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.471 6.540 4.614 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.270 7.883 3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.383 8.191 5.273 1.00 0.00 H new ATOM 112 N PRO A 10 -1.832 6.425 3.825 1.00 0.00 N ATOM 113 CA PRO A 10 -2.995 5.849 4.508 1.00 0.00 C ATOM 114 C PRO A 10 -2.647 5.374 5.917 1.00 0.00 C ATOM 115 O PRO A 10 -1.619 4.730 6.136 1.00 0.00 O ATOM 116 CB PRO A 10 -3.370 4.659 3.621 1.00 0.00 C ATOM 117 CG PRO A 10 -2.864 5.025 2.270 1.00 0.00 C ATOM 118 CD PRO A 10 -1.603 5.804 2.509 1.00 0.00 C ATOM 0 HA PRO A 10 -3.801 6.572 4.635 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.912 3.737 3.980 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.448 4.496 3.610 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.668 4.136 1.671 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.596 5.621 1.725 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.726 5.157 2.517 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.440 6.553 1.734 1.00 0.00 H new ATOM 126 N PRO A 11 -3.514 5.703 6.893 1.00 0.00 N ATOM 127 CA PRO A 11 -3.286 5.396 8.311 1.00 0.00 C ATOM 128 C PRO A 11 -3.152 3.900 8.586 1.00 0.00 C ATOM 129 O PRO A 11 -2.372 3.488 9.448 1.00 0.00 O ATOM 130 CB PRO A 11 -4.531 5.958 9.011 1.00 0.00 C ATOM 131 CG PRO A 11 -5.550 6.118 7.938 1.00 0.00 C ATOM 132 CD PRO A 11 -4.783 6.417 6.685 1.00 0.00 C ATOM 0 HA PRO A 11 -2.349 5.828 8.662 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.883 5.281 9.789 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.314 6.912 9.492 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.144 5.211 7.825 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.243 6.926 8.174 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.306 6.060 5.798 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.626 7.488 6.554 1.00 0.00 H new ATOM 140 N ASP A 12 -3.920 3.093 7.863 1.00 0.00 N ATOM 141 CA ASP A 12 -3.867 1.644 8.020 1.00 0.00 C ATOM 142 C ASP A 12 -4.663 0.952 6.922 1.00 0.00 C ATOM 143 O ASP A 12 -5.881 1.120 6.833 1.00 0.00 O ATOM 144 CB ASP A 12 -4.420 1.229 9.388 1.00 0.00 C ATOM 145 CG ASP A 12 -4.319 -0.264 9.628 1.00 0.00 C ATOM 146 OD1 ASP A 12 -5.339 -0.968 9.486 1.00 0.00 O ATOM 147 OD2 ASP A 12 -3.216 -0.741 9.966 1.00 0.00 O ATOM 0 H ASP A 12 -4.587 3.417 7.162 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.823 1.340 7.948 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.876 1.757 10.171 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.463 1.536 9.462 1.00 0.00 H new ATOM 152 N PRO A 13 -3.984 0.192 6.053 1.00 0.00 N ATOM 153 CA PRO A 13 -4.647 -0.656 5.066 1.00 0.00 C ATOM 154 C PRO A 13 -5.357 -1.825 5.740 1.00 0.00 C ATOM 155 O PRO A 13 -4.725 -2.679 6.364 1.00 0.00 O ATOM 156 CB PRO A 13 -3.503 -1.157 4.172 1.00 0.00 C ATOM 157 CG PRO A 13 -2.340 -0.281 4.500 1.00 0.00 C ATOM 158 CD PRO A 13 -2.523 0.116 5.934 1.00 0.00 C ATOM 0 HA PRO A 13 -5.414 -0.120 4.506 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.276 -2.204 4.372 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.766 -1.084 3.117 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.398 -0.811 4.358 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.314 0.595 3.851 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.097 -0.619 6.617 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.047 1.071 6.156 1.00 0.00 H new ATOM 166 N THR A 14 -6.669 -1.846 5.616 1.00 0.00 N ATOM 167 CA THR A 14 -7.487 -2.846 6.268 1.00 0.00 C ATOM 168 C THR A 14 -7.879 -3.941 5.285 1.00 0.00 C ATOM 169 O THR A 14 -8.270 -3.658 4.152 1.00 0.00 O ATOM 170 CB THR A 14 -8.764 -2.205 6.840 1.00 0.00 C ATOM 171 OG1 THR A 14 -8.428 -0.994 7.533 1.00 0.00 O ATOM 172 CG2 THR A 14 -9.474 -3.155 7.792 1.00 0.00 C ATOM 0 H THR A 14 -7.196 -1.171 5.061 1.00 0.00 H new ATOM 0 HA THR A 14 -6.903 -3.281 7.079 1.00 0.00 H new ATOM 0 HB THR A 14 -9.436 -1.983 6.011 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.243 -0.587 7.895 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.373 -2.676 8.181 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.750 -4.065 7.259 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.809 -3.405 8.619 1.00 0.00 H new ATOM 180 N VAL A 15 -7.752 -5.184 5.709 1.00 0.00 N ATOM 181 CA VAL A 15 -8.193 -6.302 4.899 1.00 0.00 C ATOM 182 C VAL A 15 -9.575 -6.758 5.353 1.00 0.00 C ATOM 183 O VAL A 15 -9.752 -7.228 6.481 1.00 0.00 O ATOM 184 CB VAL A 15 -7.191 -7.473 4.958 1.00 0.00 C ATOM 185 CG1 VAL A 15 -7.734 -8.690 4.225 1.00 0.00 C ATOM 186 CG2 VAL A 15 -5.852 -7.047 4.366 1.00 0.00 C ATOM 0 H VAL A 15 -7.348 -5.444 6.609 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.248 -5.970 3.862 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.043 -7.747 6.003 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.009 -9.502 4.281 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.669 -9.006 4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.914 -8.435 3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.152 -7.881 4.413 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.992 -6.748 3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.454 -6.207 4.935 1.00 0.00 H new ATOM 196 N ASP A 16 -10.552 -6.596 4.477 1.00 0.00 N ATOM 197 CA ASP A 16 -11.935 -6.891 4.811 1.00 0.00 C ATOM 198 C ASP A 16 -12.504 -7.918 3.839 1.00 0.00 C ATOM 199 O ASP A 16 -12.004 -8.055 2.721 1.00 0.00 O ATOM 200 CB ASP A 16 -12.758 -5.599 4.779 1.00 0.00 C ATOM 201 CG ASP A 16 -14.139 -5.767 5.376 1.00 0.00 C ATOM 202 OD1 ASP A 16 -14.289 -6.565 6.323 1.00 0.00 O ATOM 203 OD2 ASP A 16 -15.076 -5.078 4.925 1.00 0.00 O ATOM 0 H ASP A 16 -10.412 -6.260 3.524 1.00 0.00 H new ATOM 0 HA ASP A 16 -11.982 -7.312 5.815 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -12.224 -4.820 5.324 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -12.852 -5.259 3.748 1.00 0.00 H new ATOM 208 N GLN A 17 -13.532 -8.646 4.282 1.00 0.00 N ATOM 209 CA GLN A 17 -14.186 -9.676 3.468 1.00 0.00 C ATOM 210 C GLN A 17 -13.181 -10.649 2.854 1.00 0.00 C ATOM 211 O GLN A 17 -12.905 -10.599 1.652 1.00 0.00 O ATOM 212 CB GLN A 17 -15.039 -9.042 2.362 1.00 0.00 C ATOM 213 CG GLN A 17 -16.519 -8.939 2.700 1.00 0.00 C ATOM 214 CD GLN A 17 -16.795 -8.045 3.888 1.00 0.00 C ATOM 215 OE1 GLN A 17 -16.822 -8.497 5.034 1.00 0.00 O ATOM 216 NE2 GLN A 17 -17.022 -6.773 3.624 1.00 0.00 N ATOM 0 H GLN A 17 -13.935 -8.539 5.213 1.00 0.00 H new ATOM 0 HA GLN A 17 -14.833 -10.241 4.139 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -14.656 -8.044 2.150 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -14.926 -9.628 1.450 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -17.058 -8.558 1.833 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -16.909 -9.936 2.905 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -16.990 -6.438 2.661 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -17.229 -6.124 4.383 1.00 0.00 H new ATOM 225 N VAL A 18 -12.638 -11.534 3.676 1.00 0.00 N ATOM 226 CA VAL A 18 -11.713 -12.542 3.185 1.00 0.00 C ATOM 227 C VAL A 18 -12.474 -13.744 2.628 1.00 0.00 C ATOM 228 O VAL A 18 -13.467 -14.193 3.205 1.00 0.00 O ATOM 229 CB VAL A 18 -10.726 -13.012 4.281 1.00 0.00 C ATOM 230 CG1 VAL A 18 -9.882 -11.846 4.774 1.00 0.00 C ATOM 231 CG2 VAL A 18 -11.459 -13.669 5.444 1.00 0.00 C ATOM 0 H VAL A 18 -12.820 -11.575 4.679 1.00 0.00 H new ATOM 0 HA VAL A 18 -11.132 -12.078 2.388 1.00 0.00 H new ATOM 0 HB VAL A 18 -10.067 -13.758 3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.194 -12.195 5.544 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.314 -11.430 3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.532 -11.076 5.190 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.737 -13.987 6.196 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.153 -12.955 5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.012 -14.536 5.082 1.00 0.00 H new ATOM 241 N ASP A 19 -12.028 -14.234 1.485 1.00 0.00 N ATOM 242 CA ASP A 19 -12.608 -15.424 0.880 1.00 0.00 C ATOM 243 C ASP A 19 -11.635 -16.576 1.025 1.00 0.00 C ATOM 244 O ASP A 19 -10.638 -16.455 1.735 1.00 0.00 O ATOM 245 CB ASP A 19 -12.913 -15.209 -0.604 1.00 0.00 C ATOM 246 CG ASP A 19 -13.807 -14.019 -0.867 1.00 0.00 C ATOM 247 OD1 ASP A 19 -13.311 -13.016 -1.427 1.00 0.00 O ATOM 248 OD2 ASP A 19 -15.010 -14.085 -0.535 1.00 0.00 O ATOM 0 H ASP A 19 -11.261 -13.824 0.953 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.545 -15.644 1.391 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -11.976 -15.076 -1.144 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -13.387 -16.106 -1.003 1.00 0.00 H new ATOM 253 N ASP A 20 -11.897 -17.676 0.343 1.00 0.00 N ATOM 254 CA ASP A 20 -11.016 -18.833 0.415 1.00 0.00 C ATOM 255 C ASP A 20 -9.663 -18.514 -0.214 1.00 0.00 C ATOM 256 O ASP A 20 -8.624 -18.942 0.284 1.00 0.00 O ATOM 257 CB ASP A 20 -11.649 -20.047 -0.278 1.00 0.00 C ATOM 258 CG ASP A 20 -11.763 -19.875 -1.777 1.00 0.00 C ATOM 259 OD1 ASP A 20 -10.981 -20.512 -2.514 1.00 0.00 O ATOM 260 OD2 ASP A 20 -12.625 -19.090 -2.229 1.00 0.00 O ATOM 0 H ASP A 20 -12.708 -17.795 -0.265 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.865 -19.078 1.466 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.053 -20.934 -0.063 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.641 -20.221 0.139 1.00 0.00 H new ATOM 265 N THR A 21 -9.678 -17.736 -1.292 1.00 0.00 N ATOM 266 CA THR A 21 -8.457 -17.423 -2.019 1.00 0.00 C ATOM 267 C THR A 21 -8.424 -15.974 -2.507 1.00 0.00 C ATOM 268 O THR A 21 -7.790 -15.666 -3.520 1.00 0.00 O ATOM 269 CB THR A 21 -8.281 -18.371 -3.222 1.00 0.00 C ATOM 270 OG1 THR A 21 -9.554 -18.633 -3.835 1.00 0.00 O ATOM 271 CG2 THR A 21 -7.634 -19.678 -2.797 1.00 0.00 C ATOM 0 H THR A 21 -10.521 -17.313 -1.679 1.00 0.00 H new ATOM 0 HA THR A 21 -7.634 -17.560 -1.317 1.00 0.00 H new ATOM 0 HB THR A 21 -7.626 -17.883 -3.944 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.967 -19.414 -3.411 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.522 -20.328 -3.665 1.00 0.00 H new ATOM 0 HG22 THR A 21 -6.653 -19.475 -2.366 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.262 -20.170 -2.054 1.00 0.00 H new ATOM 279 N SER A 22 -9.090 -15.080 -1.787 1.00 0.00 N ATOM 280 CA SER A 22 -9.124 -13.675 -2.173 1.00 0.00 C ATOM 281 C SER A 22 -9.485 -12.786 -0.988 1.00 0.00 C ATOM 282 O SER A 22 -10.069 -13.253 -0.014 1.00 0.00 O ATOM 283 CB SER A 22 -10.120 -13.470 -3.318 1.00 0.00 C ATOM 284 OG SER A 22 -11.374 -14.055 -3.019 1.00 0.00 O ATOM 0 H SER A 22 -9.611 -15.301 -0.938 1.00 0.00 H new ATOM 0 HA SER A 22 -8.128 -13.390 -2.512 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.249 -12.404 -3.504 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.721 -13.908 -4.233 1.00 0.00 H new ATOM 0 HG SER A 22 -11.888 -13.451 -2.444 1.00 0.00 H new ATOM 290 N ILE A 23 -9.121 -11.510 -1.071 1.00 0.00 N ATOM 291 CA ILE A 23 -9.432 -10.547 -0.018 1.00 0.00 C ATOM 292 C ILE A 23 -9.820 -9.206 -0.623 1.00 0.00 C ATOM 293 O ILE A 23 -9.596 -8.961 -1.811 1.00 0.00 O ATOM 294 CB ILE A 23 -8.232 -10.283 0.922 1.00 0.00 C ATOM 295 CG1 ILE A 23 -7.109 -9.581 0.146 1.00 0.00 C ATOM 296 CG2 ILE A 23 -7.732 -11.576 1.552 1.00 0.00 C ATOM 297 CD1 ILE A 23 -6.119 -8.847 1.023 1.00 0.00 C ATOM 0 H ILE A 23 -8.608 -11.117 -1.860 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.251 -10.985 0.552 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.561 -9.632 1.732 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.573 -10.322 -0.447 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.553 -8.873 -0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.888 -11.359 2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.534 -12.032 2.132 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.415 -12.264 0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.358 -8.378 0.399 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.640 -8.081 1.597 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.645 -9.552 1.706 1.00 0.00 H new ATOM 309 N VAL A 24 -10.391 -8.339 0.199 1.00 0.00 N ATOM 310 CA VAL A 24 -10.597 -6.953 -0.183 1.00 0.00 C ATOM 311 C VAL A 24 -9.713 -6.059 0.681 1.00 0.00 C ATOM 312 O VAL A 24 -9.991 -5.848 1.861 1.00 0.00 O ATOM 313 CB VAL A 24 -12.072 -6.523 -0.026 1.00 0.00 C ATOM 314 CG1 VAL A 24 -12.274 -5.100 -0.521 1.00 0.00 C ATOM 315 CG2 VAL A 24 -12.995 -7.478 -0.764 1.00 0.00 C ATOM 0 H VAL A 24 -10.720 -8.572 1.136 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.333 -6.851 -1.236 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.321 -6.557 1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -13.320 -4.818 -0.401 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.647 -4.421 0.057 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -12.000 -5.039 -1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -14.028 -7.155 -0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -12.742 -7.482 -1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -12.878 -8.483 -0.359 1.00 0.00 H new ATOM 325 N VAL A 25 -8.644 -5.549 0.095 1.00 0.00 N ATOM 326 CA VAL A 25 -7.725 -4.683 0.815 1.00 0.00 C ATOM 327 C VAL A 25 -8.101 -3.223 0.579 1.00 0.00 C ATOM 328 O VAL A 25 -8.201 -2.764 -0.561 1.00 0.00 O ATOM 329 CB VAL A 25 -6.247 -4.963 0.422 1.00 0.00 C ATOM 330 CG1 VAL A 25 -6.074 -5.006 -1.085 1.00 0.00 C ATOM 331 CG2 VAL A 25 -5.302 -3.943 1.036 1.00 0.00 C ATOM 0 H VAL A 25 -8.390 -5.719 -0.878 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.810 -4.897 1.881 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.991 -5.944 0.823 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.029 -5.204 -1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.698 -5.797 -1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.370 -4.048 -1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.278 -4.171 0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.567 -2.945 0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.382 -3.981 2.122 1.00 0.00 H new ATOM 341 N ARG A 26 -8.361 -2.517 1.667 1.00 0.00 N ATOM 342 CA ARG A 26 -8.861 -1.152 1.607 1.00 0.00 C ATOM 343 C ARG A 26 -7.947 -0.223 2.390 1.00 0.00 C ATOM 344 O ARG A 26 -7.482 -0.571 3.470 1.00 0.00 O ATOM 345 CB ARG A 26 -10.274 -1.101 2.191 1.00 0.00 C ATOM 346 CG ARG A 26 -11.235 -2.072 1.528 1.00 0.00 C ATOM 347 CD ARG A 26 -12.513 -2.244 2.331 1.00 0.00 C ATOM 348 NE ARG A 26 -13.240 -0.989 2.504 1.00 0.00 N ATOM 349 CZ ARG A 26 -14.539 -0.921 2.776 1.00 0.00 C ATOM 350 NH1 ARG A 26 -15.259 -2.030 2.868 1.00 0.00 N ATOM 351 NH2 ARG A 26 -15.120 0.256 2.948 1.00 0.00 N ATOM 0 H ARG A 26 -8.232 -2.872 2.615 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.884 -0.826 0.567 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.227 -1.320 3.258 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.665 -0.088 2.090 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.480 -1.714 0.528 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.748 -3.040 1.409 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.157 -2.967 1.831 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.270 -2.657 3.310 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.721 -0.116 2.411 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.816 -2.938 2.730 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -16.256 -1.975 3.077 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.571 1.112 2.872 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.117 0.307 3.157 1.00 0.00 H new ATOM 365 N TRP A 27 -7.689 0.953 1.854 1.00 0.00 N ATOM 366 CA TRP A 27 -6.854 1.920 2.541 1.00 0.00 C ATOM 367 C TRP A 27 -7.588 3.244 2.695 1.00 0.00 C ATOM 368 O TRP A 27 -8.076 3.821 1.724 1.00 0.00 O ATOM 369 CB TRP A 27 -5.511 2.107 1.818 1.00 0.00 C ATOM 370 CG TRP A 27 -5.619 2.244 0.327 1.00 0.00 C ATOM 371 CD1 TRP A 27 -5.762 3.400 -0.386 1.00 0.00 C ATOM 372 CD2 TRP A 27 -5.576 1.184 -0.636 1.00 0.00 C ATOM 373 NE1 TRP A 27 -5.819 3.121 -1.731 1.00 0.00 N ATOM 374 CE2 TRP A 27 -5.704 1.768 -1.909 1.00 0.00 C ATOM 375 CE3 TRP A 27 -5.442 -0.204 -0.542 1.00 0.00 C ATOM 376 CZ2 TRP A 27 -5.703 1.012 -3.079 1.00 0.00 C ATOM 377 CZ3 TRP A 27 -5.441 -0.953 -1.703 1.00 0.00 C ATOM 378 CH2 TRP A 27 -5.570 -0.343 -2.956 1.00 0.00 C ATOM 0 H TRP A 27 -8.043 1.262 0.949 1.00 0.00 H new ATOM 0 HA TRP A 27 -6.636 1.536 3.537 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -5.019 2.994 2.217 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -4.869 1.256 2.046 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -5.822 4.389 0.044 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -5.929 3.810 -2.475 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -5.341 -0.683 0.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -5.804 1.479 -4.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -5.339 -2.026 -1.643 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -5.564 -0.956 -3.845 1.00 0.00 H new ATOM 389 N SER A 28 -7.685 3.702 3.932 1.00 0.00 N ATOM 390 CA SER A 28 -8.362 4.946 4.237 1.00 0.00 C ATOM 391 C SER A 28 -7.567 6.132 3.708 1.00 0.00 C ATOM 392 O SER A 28 -6.341 6.175 3.826 1.00 0.00 O ATOM 393 CB SER A 28 -8.549 5.067 5.746 1.00 0.00 C ATOM 394 OG SER A 28 -9.128 3.885 6.278 1.00 0.00 O ATOM 0 H SER A 28 -7.299 3.224 4.746 1.00 0.00 H new ATOM 0 HA SER A 28 -9.338 4.946 3.751 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.586 5.252 6.223 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.186 5.922 5.971 1.00 0.00 H new ATOM 0 HG SER A 28 -9.238 3.982 7.247 1.00 0.00 H new ATOM 400 N ARG A 29 -8.272 7.081 3.113 1.00 0.00 N ATOM 401 CA ARG A 29 -7.650 8.281 2.581 1.00 0.00 C ATOM 402 C ARG A 29 -7.092 9.140 3.708 1.00 0.00 C ATOM 403 O ARG A 29 -7.774 9.389 4.702 1.00 0.00 O ATOM 404 CB ARG A 29 -8.661 9.085 1.764 1.00 0.00 C ATOM 405 CG ARG A 29 -9.024 8.451 0.431 1.00 0.00 C ATOM 406 CD ARG A 29 -7.830 8.415 -0.510 1.00 0.00 C ATOM 407 NE ARG A 29 -8.195 7.949 -1.847 1.00 0.00 N ATOM 408 CZ ARG A 29 -7.742 8.493 -2.979 1.00 0.00 C ATOM 409 NH1 ARG A 29 -6.935 9.548 -2.941 1.00 0.00 N ATOM 410 NH2 ARG A 29 -8.106 7.984 -4.146 1.00 0.00 N ATOM 0 H ARG A 29 -9.283 7.042 2.986 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.828 7.981 1.931 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.569 9.213 2.353 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.256 10.081 1.583 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.390 7.438 0.596 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.836 9.012 -0.031 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.395 9.412 -0.581 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.063 7.761 -0.096 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.836 7.159 -1.919 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.658 9.946 -2.044 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.592 9.959 -3.809 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.731 7.178 -4.178 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.762 8.397 -5.012 1.00 0.00 H new ATOM 424 N PRO A 30 -5.835 9.586 3.572 1.00 0.00 N ATOM 425 CA PRO A 30 -5.190 10.451 4.562 1.00 0.00 C ATOM 426 C PRO A 30 -5.836 11.834 4.619 1.00 0.00 C ATOM 427 O PRO A 30 -6.694 12.053 5.495 1.00 0.00 O ATOM 428 CB PRO A 30 -3.743 10.545 4.071 1.00 0.00 C ATOM 429 CG PRO A 30 -3.815 10.250 2.613 1.00 0.00 C ATOM 430 CD PRO A 30 -4.942 9.275 2.443 1.00 0.00 C ATOM 431 OXT PRO A 30 -5.505 12.691 3.770 1.00 0.00 O ATOM 0 HA PRO A 30 -5.276 10.054 5.574 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.327 11.536 4.254 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.103 9.830 4.588 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.996 11.159 2.040 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.876 9.828 2.254 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.445 9.405 1.485 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.591 8.244 2.481 1.00 0.00 H new TER 439 PRO A 30 ATOM 440 N MET B 31 5.231 27.026 -9.275 1.00 0.00 N ATOM 441 CA MET B 31 5.950 27.646 -10.414 1.00 0.00 C ATOM 442 C MET B 31 6.508 26.578 -11.338 1.00 0.00 C ATOM 443 O MET B 31 7.389 25.808 -10.951 1.00 0.00 O ATOM 444 CB MET B 31 7.089 28.544 -9.920 1.00 0.00 C ATOM 445 CG MET B 31 6.615 29.834 -9.276 1.00 0.00 C ATOM 446 SD MET B 31 5.753 30.908 -10.439 1.00 0.00 S ATOM 447 CE MET B 31 5.319 32.278 -9.373 1.00 0.00 C ATOM 0 HA MET B 31 5.235 28.257 -10.965 1.00 0.00 H new ATOM 0 HB2 MET B 31 7.691 27.989 -9.200 1.00 0.00 H new ATOM 0 HB3 MET B 31 7.740 28.786 -10.761 1.00 0.00 H new ATOM 0 HG2 MET B 31 5.952 29.599 -8.443 1.00 0.00 H new ATOM 0 HG3 MET B 31 7.471 30.366 -8.861 1.00 0.00 H new ATOM 0 HE1 MET B 31 4.778 33.029 -9.948 1.00 0.00 H new ATOM 0 HE2 MET B 31 4.688 31.920 -8.559 1.00 0.00 H new ATOM 0 HE3 MET B 31 6.226 32.720 -8.961 1.00 0.00 H new ATOM 459 N ARG B 32 5.979 26.529 -12.554 1.00 0.00 N ATOM 460 CA ARG B 32 6.435 25.589 -13.568 1.00 0.00 C ATOM 461 C ARG B 32 5.834 25.966 -14.920 1.00 0.00 C ATOM 462 O ARG B 32 5.058 25.210 -15.506 1.00 0.00 O ATOM 463 CB ARG B 32 6.044 24.154 -13.195 1.00 0.00 C ATOM 464 CG ARG B 32 6.653 23.104 -14.110 1.00 0.00 C ATOM 465 CD ARG B 32 6.174 21.706 -13.765 1.00 0.00 C ATOM 466 NE ARG B 32 6.749 20.707 -14.662 1.00 0.00 N ATOM 467 CZ ARG B 32 6.175 19.542 -14.955 1.00 0.00 C ATOM 468 NH1 ARG B 32 5.012 19.206 -14.409 1.00 0.00 N ATOM 469 NH2 ARG B 32 6.771 18.709 -15.798 1.00 0.00 N ATOM 0 H ARG B 32 5.223 27.139 -12.864 1.00 0.00 H new ATOM 0 HA ARG B 32 7.522 25.638 -13.629 1.00 0.00 H new ATOM 0 HB2 ARG B 32 6.355 23.956 -12.169 1.00 0.00 H new ATOM 0 HB3 ARG B 32 4.958 24.063 -13.222 1.00 0.00 H new ATOM 0 HG2 ARG B 32 6.396 23.331 -15.145 1.00 0.00 H new ATOM 0 HG3 ARG B 32 7.740 23.144 -14.036 1.00 0.00 H new ATOM 0 HD2 ARG B 32 6.445 21.471 -12.736 1.00 0.00 H new ATOM 0 HD3 ARG B 32 5.086 21.668 -13.825 1.00 0.00 H new ATOM 0 HE ARG B 32 7.650 20.916 -15.092 1.00 0.00 H new ATOM 0 HH11 ARG B 32 4.551 19.843 -13.759 1.00 0.00 H new ATOM 0 HH12 ARG B 32 4.580 18.311 -14.640 1.00 0.00 H new ATOM 0 HH21 ARG B 32 7.665 18.962 -16.219 1.00 0.00 H new ATOM 0 HH22 ARG B 32 6.335 17.815 -16.026 1.00 0.00 H new ATOM 483 N GLY B 33 6.178 27.150 -15.398 1.00 0.00 N ATOM 484 CA GLY B 33 5.638 27.631 -16.656 1.00 0.00 C ATOM 485 C GLY B 33 4.227 28.154 -16.495 1.00 0.00 C ATOM 486 O GLY B 33 4.007 29.363 -16.423 1.00 0.00 O ATOM 0 H GLY B 33 6.824 27.791 -14.937 1.00 0.00 H new ATOM 0 HA2 GLY B 33 6.277 28.422 -17.048 1.00 0.00 H new ATOM 0 HA3 GLY B 33 5.646 26.823 -17.388 1.00 0.00 H new ATOM 490 N SER B 34 3.269 27.242 -16.431 1.00 0.00 N ATOM 491 CA SER B 34 1.887 27.607 -16.183 1.00 0.00 C ATOM 492 C SER B 34 1.627 27.594 -14.681 1.00 0.00 C ATOM 493 O SER B 34 2.042 26.669 -13.980 1.00 0.00 O ATOM 494 CB SER B 34 0.942 26.637 -16.904 1.00 0.00 C ATOM 495 OG SER B 34 -0.409 27.059 -16.803 1.00 0.00 O ATOM 0 H SER B 34 3.426 26.241 -16.548 1.00 0.00 H new ATOM 0 HA SER B 34 1.701 28.609 -16.570 1.00 0.00 H new ATOM 0 HB2 SER B 34 1.225 26.565 -17.954 1.00 0.00 H new ATOM 0 HB3 SER B 34 1.046 25.640 -16.476 1.00 0.00 H new ATOM 0 HG SER B 34 -0.987 26.422 -17.273 1.00 0.00 H new ATOM 501 N ASN B 35 0.957 28.624 -14.184 1.00 0.00 N ATOM 502 CA ASN B 35 0.701 28.742 -12.754 1.00 0.00 C ATOM 503 C ASN B 35 -0.580 28.016 -12.372 1.00 0.00 C ATOM 504 O ASN B 35 -1.528 28.618 -11.864 1.00 0.00 O ATOM 505 CB ASN B 35 0.626 30.211 -12.335 1.00 0.00 C ATOM 506 CG ASN B 35 1.977 30.892 -12.394 1.00 0.00 C ATOM 507 OD1 ASN B 35 2.370 31.435 -13.426 1.00 0.00 O ATOM 508 ND2 ASN B 35 2.706 30.857 -11.292 1.00 0.00 N ATOM 0 H ASN B 35 0.582 29.388 -14.747 1.00 0.00 H new ATOM 0 HA ASN B 35 1.532 28.275 -12.225 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -0.073 30.737 -12.985 1.00 0.00 H new ATOM 0 HB3 ASN B 35 0.231 30.278 -11.321 1.00 0.00 H new ATOM 0 HD21 ASN B 35 3.629 31.290 -11.277 1.00 0.00 H new ATOM 0 HD22 ASN B 35 2.345 30.397 -10.456 1.00 0.00 H new ATOM 515 N ALA B 36 -0.603 26.721 -12.635 1.00 0.00 N ATOM 516 CA ALA B 36 -1.724 25.883 -12.257 1.00 0.00 C ATOM 517 C ALA B 36 -1.424 25.178 -10.943 1.00 0.00 C ATOM 518 O ALA B 36 -0.622 24.239 -10.907 1.00 0.00 O ATOM 519 CB ALA B 36 -2.019 24.868 -13.351 1.00 0.00 C ATOM 0 H ALA B 36 0.149 26.225 -13.113 1.00 0.00 H new ATOM 0 HA ALA B 36 -2.606 26.510 -12.125 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -2.863 24.246 -13.052 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -2.262 25.391 -14.276 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -1.143 24.239 -13.509 1.00 0.00 H new ATOM 525 N PRO B 37 -2.042 25.627 -9.842 1.00 0.00 N ATOM 526 CA PRO B 37 -1.820 25.041 -8.522 1.00 0.00 C ATOM 527 C PRO B 37 -2.542 23.707 -8.372 1.00 0.00 C ATOM 528 O PRO B 37 -3.474 23.568 -7.576 1.00 0.00 O ATOM 529 CB PRO B 37 -2.397 26.081 -7.569 1.00 0.00 C ATOM 530 CG PRO B 37 -3.461 26.764 -8.357 1.00 0.00 C ATOM 531 CD PRO B 37 -3.007 26.742 -9.794 1.00 0.00 C ATOM 0 HA PRO B 37 -0.769 24.823 -8.334 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -2.806 25.614 -6.673 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -1.633 26.785 -7.241 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -4.417 26.252 -8.244 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -3.604 27.788 -8.011 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -3.842 26.578 -10.475 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -2.543 27.685 -10.081 1.00 0.00 H new ATOM 539 N GLN B 38 -2.105 22.740 -9.159 1.00 0.00 N ATOM 540 CA GLN B 38 -2.694 21.415 -9.162 1.00 0.00 C ATOM 541 C GLN B 38 -2.459 20.722 -7.822 1.00 0.00 C ATOM 542 O GLN B 38 -1.349 20.740 -7.290 1.00 0.00 O ATOM 543 CB GLN B 38 -2.096 20.593 -10.302 1.00 0.00 C ATOM 544 CG GLN B 38 -2.246 21.240 -11.669 1.00 0.00 C ATOM 545 CD GLN B 38 -3.693 21.460 -12.056 1.00 0.00 C ATOM 546 OE1 GLN B 38 -4.273 22.511 -11.780 1.00 0.00 O ATOM 547 NE2 GLN B 38 -4.287 20.467 -12.692 1.00 0.00 N ATOM 0 H GLN B 38 -1.331 22.852 -9.814 1.00 0.00 H new ATOM 0 HA GLN B 38 -3.770 21.504 -9.313 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -1.037 20.429 -10.102 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -2.573 19.613 -10.320 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -1.724 22.197 -11.673 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -1.765 20.611 -12.419 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -3.770 19.613 -12.901 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -5.263 20.554 -12.974 1.00 0.00 H new ATOM 556 N PRO B 39 -3.511 20.107 -7.266 1.00 0.00 N ATOM 557 CA PRO B 39 -3.460 19.473 -5.944 1.00 0.00 C ATOM 558 C PRO B 39 -2.584 18.224 -5.919 1.00 0.00 C ATOM 559 O PRO B 39 -2.364 17.576 -6.947 1.00 0.00 O ATOM 560 CB PRO B 39 -4.920 19.100 -5.674 1.00 0.00 C ATOM 561 CG PRO B 39 -5.529 18.962 -7.025 1.00 0.00 C ATOM 562 CD PRO B 39 -4.842 19.980 -7.886 1.00 0.00 C ATOM 0 HA PRO B 39 -3.024 20.137 -5.198 1.00 0.00 H new ATOM 0 HB2 PRO B 39 -4.994 18.171 -5.109 1.00 0.00 H new ATOM 0 HB3 PRO B 39 -5.424 19.869 -5.089 1.00 0.00 H new ATOM 0 HG2 PRO B 39 -5.385 17.956 -7.418 1.00 0.00 H new ATOM 0 HG3 PRO B 39 -6.604 19.140 -6.990 1.00 0.00 H new ATOM 0 HD2 PRO B 39 -4.773 19.649 -8.922 1.00 0.00 H new ATOM 0 HD3 PRO B 39 -5.376 20.930 -7.889 1.00 0.00 H new ATOM 570 N SER B 40 -2.103 17.884 -4.730 1.00 0.00 N ATOM 571 CA SER B 40 -1.260 16.714 -4.534 1.00 0.00 C ATOM 572 C SER B 40 -2.098 15.436 -4.549 1.00 0.00 C ATOM 573 O SER B 40 -2.179 14.715 -3.555 1.00 0.00 O ATOM 574 CB SER B 40 -0.509 16.838 -3.208 1.00 0.00 C ATOM 575 OG SER B 40 0.261 18.030 -3.163 1.00 0.00 O ATOM 0 H SER B 40 -2.286 18.411 -3.876 1.00 0.00 H new ATOM 0 HA SER B 40 -0.541 16.659 -5.351 1.00 0.00 H new ATOM 0 HB2 SER B 40 -1.220 16.830 -2.382 1.00 0.00 H new ATOM 0 HB3 SER B 40 0.144 15.975 -3.075 1.00 0.00 H new ATOM 0 HG SER B 40 0.729 18.085 -2.304 1.00 0.00 H new ATOM 581 N HIS B 41 -2.730 15.173 -5.680 1.00 0.00 N ATOM 582 CA HIS B 41 -3.583 14.003 -5.826 1.00 0.00 C ATOM 583 C HIS B 41 -2.754 12.777 -6.202 1.00 0.00 C ATOM 584 O HIS B 41 -1.737 12.890 -6.892 1.00 0.00 O ATOM 585 CB HIS B 41 -4.676 14.256 -6.879 1.00 0.00 C ATOM 586 CG HIS B 41 -4.178 14.347 -8.294 1.00 0.00 C ATOM 587 ND1 HIS B 41 -4.596 13.494 -9.291 1.00 0.00 N ATOM 588 CD2 HIS B 41 -3.302 15.203 -8.877 1.00 0.00 C ATOM 589 CE1 HIS B 41 -4.001 13.818 -10.424 1.00 0.00 C ATOM 590 NE2 HIS B 41 -3.211 14.849 -10.199 1.00 0.00 N ATOM 0 H HIS B 41 -2.669 15.756 -6.515 1.00 0.00 H new ATOM 0 HA HIS B 41 -4.066 13.812 -4.868 1.00 0.00 H new ATOM 0 HB2 HIS B 41 -5.412 13.454 -6.818 1.00 0.00 H new ATOM 0 HB3 HIS B 41 -5.193 15.183 -6.630 1.00 0.00 H new ATOM 0 HD2 HIS B 41 -2.775 16.011 -8.392 1.00 0.00 H new ATOM 0 HE1 HIS B 41 -4.138 13.323 -11.374 1.00 0.00 H new ATOM 0 HE2 HIS B 41 -2.626 15.310 -10.896 1.00 0.00 H new ATOM 599 N ILE B 42 -3.189 11.616 -5.732 1.00 0.00 N ATOM 600 CA ILE B 42 -2.529 10.360 -6.051 1.00 0.00 C ATOM 601 C ILE B 42 -2.963 9.889 -7.433 1.00 0.00 C ATOM 602 O ILE B 42 -4.154 9.742 -7.701 1.00 0.00 O ATOM 603 CB ILE B 42 -2.836 9.253 -5.006 1.00 0.00 C ATOM 604 CG1 ILE B 42 -2.179 9.556 -3.652 1.00 0.00 C ATOM 605 CG2 ILE B 42 -2.367 7.894 -5.508 1.00 0.00 C ATOM 606 CD1 ILE B 42 -2.825 10.682 -2.876 1.00 0.00 C ATOM 0 H ILE B 42 -4.002 11.519 -5.124 1.00 0.00 H new ATOM 0 HA ILE B 42 -1.454 10.542 -6.034 1.00 0.00 H new ATOM 0 HB ILE B 42 -3.917 9.232 -4.866 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -2.201 8.653 -3.042 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -1.130 9.802 -3.819 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -2.592 7.133 -4.761 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -2.881 7.652 -6.438 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.292 7.923 -5.685 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -2.296 10.825 -1.934 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.779 11.600 -3.461 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -3.866 10.433 -2.673 1.00 0.00 H new ATOM 618 N SER B 43 -1.991 9.676 -8.307 1.00 0.00 N ATOM 619 CA SER B 43 -2.260 9.250 -9.669 1.00 0.00 C ATOM 620 C SER B 43 -2.569 7.757 -9.719 1.00 0.00 C ATOM 621 O SER B 43 -3.421 7.319 -10.493 1.00 0.00 O ATOM 622 CB SER B 43 -1.059 9.574 -10.560 1.00 0.00 C ATOM 623 OG SER B 43 -0.741 10.957 -10.504 1.00 0.00 O ATOM 0 H SER B 43 -1.001 9.793 -8.093 1.00 0.00 H new ATOM 0 HA SER B 43 -3.133 9.789 -10.036 1.00 0.00 H new ATOM 0 HB2 SER B 43 -0.198 8.986 -10.243 1.00 0.00 H new ATOM 0 HB3 SER B 43 -1.278 9.289 -11.589 1.00 0.00 H new ATOM 0 HG SER B 43 0.031 11.139 -11.080 1.00 0.00 H new ATOM 629 N LYS B 44 -1.881 6.980 -8.886 1.00 0.00 N ATOM 630 CA LYS B 44 -2.103 5.541 -8.831 1.00 0.00 C ATOM 631 C LYS B 44 -1.534 4.946 -7.548 1.00 0.00 C ATOM 632 O LYS B 44 -0.532 5.429 -7.014 1.00 0.00 O ATOM 633 CB LYS B 44 -1.485 4.849 -10.053 1.00 0.00 C ATOM 634 CG LYS B 44 0.012 5.074 -10.213 1.00 0.00 C ATOM 635 CD LYS B 44 0.517 4.486 -11.520 1.00 0.00 C ATOM 636 CE LYS B 44 1.991 4.782 -11.746 1.00 0.00 C ATOM 637 NZ LYS B 44 2.876 4.041 -10.806 1.00 0.00 N ATOM 0 H LYS B 44 -1.168 7.323 -8.243 1.00 0.00 H new ATOM 0 HA LYS B 44 -3.180 5.371 -8.840 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -1.674 3.778 -9.983 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -1.991 5.204 -10.951 1.00 0.00 H new ATOM 0 HG2 LYS B 44 0.227 6.142 -10.184 1.00 0.00 H new ATOM 0 HG3 LYS B 44 0.543 4.619 -9.377 1.00 0.00 H new ATOM 0 HD2 LYS B 44 0.360 3.407 -11.517 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -0.065 4.890 -12.348 1.00 0.00 H new ATOM 0 HE2 LYS B 44 2.257 4.522 -12.771 1.00 0.00 H new ATOM 0 HE3 LYS B 44 2.164 5.852 -11.634 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 3.871 4.239 -11.036 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 2.679 4.345 -9.831 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 2.698 3.020 -10.893 1.00 0.00 H new ATOM 651 N TYR B 45 -2.196 3.912 -7.055 1.00 0.00 N ATOM 652 CA TYR B 45 -1.728 3.172 -5.893 1.00 0.00 C ATOM 653 C TYR B 45 -1.120 1.853 -6.340 1.00 0.00 C ATOM 654 O TYR B 45 -1.648 1.191 -7.231 1.00 0.00 O ATOM 655 CB TYR B 45 -2.874 2.891 -4.919 1.00 0.00 C ATOM 656 CG TYR B 45 -3.410 4.112 -4.209 1.00 0.00 C ATOM 657 CD1 TYR B 45 -4.545 4.770 -4.670 1.00 0.00 C ATOM 658 CD2 TYR B 45 -2.792 4.595 -3.065 1.00 0.00 C ATOM 659 CE1 TYR B 45 -5.044 5.874 -4.007 1.00 0.00 C ATOM 660 CE2 TYR B 45 -3.283 5.700 -2.399 1.00 0.00 C ATOM 661 CZ TYR B 45 -4.408 6.335 -2.873 1.00 0.00 C ATOM 662 OH TYR B 45 -4.906 7.429 -2.208 1.00 0.00 O ATOM 0 H TYR B 45 -3.070 3.562 -7.447 1.00 0.00 H new ATOM 0 HA TYR B 45 -0.979 3.778 -5.384 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -3.690 2.417 -5.465 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -2.532 2.174 -4.173 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -5.043 4.413 -5.559 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -1.911 4.097 -2.688 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -5.928 6.374 -4.375 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -2.787 6.064 -1.511 1.00 0.00 H new ATOM 0 HH TYR B 45 -4.343 7.623 -1.430 1.00 0.00 H new ATOM 672 N ILE B 46 -0.007 1.482 -5.739 1.00 0.00 N ATOM 673 CA ILE B 46 0.653 0.233 -6.072 1.00 0.00 C ATOM 674 C ILE B 46 0.589 -0.729 -4.889 1.00 0.00 C ATOM 675 O ILE B 46 1.108 -0.440 -3.810 1.00 0.00 O ATOM 676 CB ILE B 46 2.128 0.452 -6.508 1.00 0.00 C ATOM 677 CG1 ILE B 46 2.206 1.061 -7.916 1.00 0.00 C ATOM 678 CG2 ILE B 46 2.912 -0.850 -6.461 1.00 0.00 C ATOM 679 CD1 ILE B 46 1.807 2.520 -7.990 1.00 0.00 C ATOM 0 H ILE B 46 0.461 2.028 -5.016 1.00 0.00 H new ATOM 0 HA ILE B 46 0.123 -0.202 -6.920 1.00 0.00 H new ATOM 0 HB ILE B 46 2.575 1.153 -5.802 1.00 0.00 H new ATOM 0 HG12 ILE B 46 3.225 0.956 -8.288 1.00 0.00 H new ATOM 0 HG13 ILE B 46 1.563 0.487 -8.583 1.00 0.00 H new ATOM 0 HG21 ILE B 46 3.941 -0.667 -6.771 1.00 0.00 H new ATOM 0 HG22 ILE B 46 2.904 -1.243 -5.444 1.00 0.00 H new ATOM 0 HG23 ILE B 46 2.454 -1.575 -7.134 1.00 0.00 H new ATOM 0 HD11 ILE B 46 1.891 2.869 -9.019 1.00 0.00 H new ATOM 0 HD12 ILE B 46 0.777 2.633 -7.652 1.00 0.00 H new ATOM 0 HD13 ILE B 46 2.465 3.110 -7.352 1.00 0.00 H new ATOM 691 N LEU B 47 -0.078 -1.854 -5.096 1.00 0.00 N ATOM 692 CA LEU B 47 -0.183 -2.890 -4.080 1.00 0.00 C ATOM 693 C LEU B 47 0.868 -3.958 -4.365 1.00 0.00 C ATOM 694 O LEU B 47 0.869 -4.558 -5.441 1.00 0.00 O ATOM 695 CB LEU B 47 -1.593 -3.510 -4.101 1.00 0.00 C ATOM 696 CG LEU B 47 -2.117 -4.104 -2.776 1.00 0.00 C ATOM 697 CD1 LEU B 47 -1.207 -5.195 -2.238 1.00 0.00 C ATOM 698 CD2 LEU B 47 -2.312 -3.013 -1.735 1.00 0.00 C ATOM 0 H LEU B 47 -0.559 -2.074 -5.968 1.00 0.00 H new ATOM 0 HA LEU B 47 -0.014 -2.461 -3.092 1.00 0.00 H new ATOM 0 HB2 LEU B 47 -2.295 -2.744 -4.430 1.00 0.00 H new ATOM 0 HB3 LEU B 47 -1.605 -4.298 -4.854 1.00 0.00 H new ATOM 0 HG LEU B 47 -3.083 -4.562 -2.991 1.00 0.00 H new ATOM 0 HD11 LEU B 47 -1.616 -5.583 -1.305 1.00 0.00 H new ATOM 0 HD12 LEU B 47 -1.137 -6.002 -2.967 1.00 0.00 H new ATOM 0 HD13 LEU B 47 -0.214 -4.784 -2.056 1.00 0.00 H new ATOM 0 HD21 LEU B 47 -2.682 -3.455 -0.810 1.00 0.00 H new ATOM 0 HD22 LEU B 47 -1.360 -2.517 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU B 47 -3.034 -2.284 -2.103 1.00 0.00 H new ATOM 710 N ARG B 48 1.778 -4.162 -3.426 1.00 0.00 N ATOM 711 CA ARG B 48 2.804 -5.185 -3.571 1.00 0.00 C ATOM 712 C ARG B 48 2.757 -6.142 -2.392 1.00 0.00 C ATOM 713 O ARG B 48 2.768 -5.711 -1.244 1.00 0.00 O ATOM 714 CB ARG B 48 4.192 -4.548 -3.675 1.00 0.00 C ATOM 715 CG ARG B 48 4.336 -3.602 -4.854 1.00 0.00 C ATOM 716 CD ARG B 48 5.747 -3.048 -4.968 1.00 0.00 C ATOM 717 NE ARG B 48 6.203 -2.438 -3.720 1.00 0.00 N ATOM 718 CZ ARG B 48 7.414 -1.900 -3.551 1.00 0.00 C ATOM 719 NH1 ARG B 48 8.278 -1.870 -4.562 1.00 0.00 N ATOM 720 NH2 ARG B 48 7.756 -1.381 -2.377 1.00 0.00 N ATOM 0 H ARG B 48 1.828 -3.633 -2.555 1.00 0.00 H new ATOM 0 HA ARG B 48 2.610 -5.740 -4.489 1.00 0.00 H new ATOM 0 HB2 ARG B 48 4.404 -4.004 -2.755 1.00 0.00 H new ATOM 0 HB3 ARG B 48 4.940 -5.337 -3.758 1.00 0.00 H new ATOM 0 HG2 ARG B 48 4.077 -4.126 -5.774 1.00 0.00 H new ATOM 0 HG3 ARG B 48 3.630 -2.778 -4.747 1.00 0.00 H new ATOM 0 HD2 ARG B 48 6.429 -3.851 -5.249 1.00 0.00 H new ATOM 0 HD3 ARG B 48 5.781 -2.307 -5.766 1.00 0.00 H new ATOM 0 HE ARG B 48 5.557 -2.422 -2.931 1.00 0.00 H new ATOM 0 HH11 ARG B 48 8.016 -2.258 -5.468 1.00 0.00 H new ATOM 0 HH12 ARG B 48 9.202 -1.459 -4.431 1.00 0.00 H new ATOM 0 HH21 ARG B 48 7.093 -1.393 -1.602 1.00 0.00 H new ATOM 0 HH22 ARG B 48 8.681 -0.971 -2.251 1.00 0.00 H new ATOM 734 N TRP B 49 2.692 -7.434 -2.675 1.00 0.00 N ATOM 735 CA TRP B 49 2.592 -8.430 -1.619 1.00 0.00 C ATOM 736 C TRP B 49 3.397 -9.677 -1.961 1.00 0.00 C ATOM 737 O TRP B 49 3.703 -9.931 -3.128 1.00 0.00 O ATOM 738 CB TRP B 49 1.123 -8.805 -1.377 1.00 0.00 C ATOM 739 CG TRP B 49 0.492 -9.563 -2.508 1.00 0.00 C ATOM 740 CD1 TRP B 49 0.279 -10.910 -2.570 1.00 0.00 C ATOM 741 CD2 TRP B 49 -0.003 -9.023 -3.740 1.00 0.00 C ATOM 742 NE1 TRP B 49 -0.315 -11.239 -3.762 1.00 0.00 N ATOM 743 CE2 TRP B 49 -0.499 -10.098 -4.497 1.00 0.00 C ATOM 744 CE3 TRP B 49 -0.074 -7.734 -4.274 1.00 0.00 C ATOM 745 CZ2 TRP B 49 -1.058 -9.923 -5.761 1.00 0.00 C ATOM 746 CZ3 TRP B 49 -0.628 -7.559 -5.525 1.00 0.00 C ATOM 747 CH2 TRP B 49 -1.115 -8.648 -6.258 1.00 0.00 C ATOM 0 H TRP B 49 2.707 -7.816 -3.621 1.00 0.00 H new ATOM 0 HA TRP B 49 3.005 -7.995 -0.709 1.00 0.00 H new ATOM 0 HB2 TRP B 49 1.057 -9.405 -0.469 1.00 0.00 H new ATOM 0 HB3 TRP B 49 0.551 -7.894 -1.200 1.00 0.00 H new ATOM 0 HD1 TRP B 49 0.540 -11.614 -1.794 1.00 0.00 H new ATOM 0 HE1 TRP B 49 -0.577 -12.181 -4.054 1.00 0.00 H new ATOM 0 HE3 TRP B 49 0.299 -6.888 -3.716 1.00 0.00 H new ATOM 0 HZ2 TRP B 49 -1.433 -10.762 -6.328 1.00 0.00 H new ATOM 0 HZ3 TRP B 49 -0.687 -6.566 -5.946 1.00 0.00 H new ATOM 0 HH2 TRP B 49 -1.544 -8.479 -7.235 1.00 0.00 H new ATOM 758 N ARG B 50 3.743 -10.440 -0.937 1.00 0.00 N ATOM 759 CA ARG B 50 4.439 -11.706 -1.115 1.00 0.00 C ATOM 760 C ARG B 50 4.220 -12.587 0.110 1.00 0.00 C ATOM 761 O ARG B 50 4.005 -12.077 1.213 1.00 0.00 O ATOM 762 CB ARG B 50 5.943 -11.484 -1.338 1.00 0.00 C ATOM 763 CG ARG B 50 6.649 -10.806 -0.192 1.00 0.00 C ATOM 764 CD ARG B 50 8.150 -10.800 -0.412 1.00 0.00 C ATOM 765 NE ARG B 50 8.848 -10.519 0.827 1.00 0.00 N ATOM 766 CZ ARG B 50 10.054 -9.958 0.908 1.00 0.00 C ATOM 767 NH1 ARG B 50 10.747 -9.697 -0.194 1.00 0.00 N ATOM 768 NH2 ARG B 50 10.573 -9.675 2.095 1.00 0.00 N ATOM 0 H ARG B 50 3.551 -10.202 0.036 1.00 0.00 H new ATOM 0 HA ARG B 50 4.035 -12.200 -1.999 1.00 0.00 H new ATOM 0 HB2 ARG B 50 6.417 -12.448 -1.521 1.00 0.00 H new ATOM 0 HB3 ARG B 50 6.080 -10.885 -2.238 1.00 0.00 H new ATOM 0 HG2 ARG B 50 6.288 -9.783 -0.091 1.00 0.00 H new ATOM 0 HG3 ARG B 50 6.416 -11.320 0.740 1.00 0.00 H new ATOM 0 HD2 ARG B 50 8.469 -11.766 -0.804 1.00 0.00 H new ATOM 0 HD3 ARG B 50 8.410 -10.051 -1.160 1.00 0.00 H new ATOM 0 HE ARG B 50 8.383 -10.769 1.700 1.00 0.00 H new ATOM 0 HH11 ARG B 50 10.357 -9.926 -1.108 1.00 0.00 H new ATOM 0 HH12 ARG B 50 11.670 -9.267 -0.126 1.00 0.00 H new ATOM 0 HH21 ARG B 50 10.049 -9.887 2.944 1.00 0.00 H new ATOM 0 HH22 ARG B 50 11.496 -9.246 2.159 1.00 0.00 H new ATOM 782 N PRO B 51 4.239 -13.918 -0.073 1.00 0.00 N ATOM 783 CA PRO B 51 4.120 -14.869 1.036 1.00 0.00 C ATOM 784 C PRO B 51 5.227 -14.668 2.061 1.00 0.00 C ATOM 785 O PRO B 51 6.387 -14.472 1.703 1.00 0.00 O ATOM 786 CB PRO B 51 4.260 -16.237 0.362 1.00 0.00 C ATOM 787 CG PRO B 51 3.915 -16.000 -1.066 1.00 0.00 C ATOM 788 CD PRO B 51 4.365 -14.602 -1.372 1.00 0.00 C ATOM 0 HA PRO B 51 3.183 -14.752 1.581 1.00 0.00 H new ATOM 0 HB2 PRO B 51 5.273 -16.625 0.464 1.00 0.00 H new ATOM 0 HB3 PRO B 51 3.591 -16.970 0.813 1.00 0.00 H new ATOM 0 HG2 PRO B 51 4.414 -16.721 -1.713 1.00 0.00 H new ATOM 0 HG3 PRO B 51 2.843 -16.110 -1.232 1.00 0.00 H new ATOM 0 HD2 PRO B 51 5.390 -14.580 -1.741 1.00 0.00 H new ATOM 0 HD3 PRO B 51 3.742 -14.136 -2.135 1.00 0.00 H new ATOM 796 N LYS B 52 4.855 -14.727 3.333 1.00 0.00 N ATOM 797 CA LYS B 52 5.780 -14.460 4.430 1.00 0.00 C ATOM 798 C LYS B 52 6.879 -15.516 4.501 1.00 0.00 C ATOM 799 O LYS B 52 7.969 -15.257 5.005 1.00 0.00 O ATOM 800 CB LYS B 52 5.003 -14.423 5.742 1.00 0.00 C ATOM 801 CG LYS B 52 5.259 -13.194 6.593 1.00 0.00 C ATOM 802 CD LYS B 52 6.695 -13.120 7.073 1.00 0.00 C ATOM 803 CE LYS B 52 6.929 -11.885 7.926 1.00 0.00 C ATOM 804 NZ LYS B 52 6.066 -11.871 9.138 1.00 0.00 N ATOM 0 H LYS B 52 3.909 -14.960 3.634 1.00 0.00 H new ATOM 0 HA LYS B 52 6.259 -13.497 4.254 1.00 0.00 H new ATOM 0 HB2 LYS B 52 3.937 -14.479 5.520 1.00 0.00 H new ATOM 0 HB3 LYS B 52 5.255 -15.310 6.323 1.00 0.00 H new ATOM 0 HG2 LYS B 52 5.024 -12.299 6.017 1.00 0.00 H new ATOM 0 HG3 LYS B 52 4.590 -13.204 7.453 1.00 0.00 H new ATOM 0 HD2 LYS B 52 6.934 -14.013 7.650 1.00 0.00 H new ATOM 0 HD3 LYS B 52 7.367 -13.105 6.215 1.00 0.00 H new ATOM 0 HE2 LYS B 52 7.976 -11.845 8.226 1.00 0.00 H new ATOM 0 HE3 LYS B 52 6.734 -10.992 7.332 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 6.415 -11.152 9.804 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 5.088 -11.645 8.865 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 6.091 -12.806 9.593 1.00 0.00 H new ATOM 818 N ASN B 53 6.581 -16.710 4.000 1.00 0.00 N ATOM 819 CA ASN B 53 7.563 -17.790 3.959 1.00 0.00 C ATOM 820 C ASN B 53 8.553 -17.569 2.821 1.00 0.00 C ATOM 821 O ASN B 53 9.570 -18.257 2.720 1.00 0.00 O ATOM 822 CB ASN B 53 6.873 -19.152 3.800 1.00 0.00 C ATOM 823 CG ASN B 53 6.116 -19.294 2.489 1.00 0.00 C ATOM 824 OD1 ASN B 53 6.670 -19.725 1.479 1.00 0.00 O ATOM 825 ND2 ASN B 53 4.841 -18.940 2.498 1.00 0.00 N ATOM 0 H ASN B 53 5.668 -16.955 3.617 1.00 0.00 H new ATOM 0 HA ASN B 53 8.106 -17.787 4.904 1.00 0.00 H new ATOM 0 HB2 ASN B 53 7.622 -19.941 3.866 1.00 0.00 H new ATOM 0 HB3 ASN B 53 6.181 -19.300 4.629 1.00 0.00 H new ATOM 0 HD21 ASN B 53 4.283 -19.021 1.648 1.00 0.00 H new ATOM 0 HD22 ASN B 53 4.416 -18.587 3.355 1.00 0.00 H new ATOM 832 N SER B 54 8.241 -16.606 1.967 1.00 0.00 N ATOM 833 CA SER B 54 9.100 -16.252 0.854 1.00 0.00 C ATOM 834 C SER B 54 9.749 -14.890 1.088 1.00 0.00 C ATOM 835 O SER B 54 9.211 -14.050 1.811 1.00 0.00 O ATOM 836 CB SER B 54 8.284 -16.236 -0.440 1.00 0.00 C ATOM 837 OG SER B 54 7.716 -17.510 -0.692 1.00 0.00 O ATOM 0 H SER B 54 7.387 -16.051 2.028 1.00 0.00 H new ATOM 0 HA SER B 54 9.892 -16.996 0.769 1.00 0.00 H new ATOM 0 HB2 SER B 54 7.494 -15.488 -0.368 1.00 0.00 H new ATOM 0 HB3 SER B 54 8.922 -15.946 -1.274 1.00 0.00 H new ATOM 0 HG SER B 54 7.197 -17.478 -1.523 1.00 0.00 H new ATOM 843 N VAL B 55 10.912 -14.686 0.491 1.00 0.00 N ATOM 844 CA VAL B 55 11.629 -13.437 0.608 1.00 0.00 C ATOM 845 C VAL B 55 12.029 -12.941 -0.790 1.00 0.00 C ATOM 846 O VAL B 55 13.032 -12.242 -0.978 1.00 0.00 O ATOM 847 CB VAL B 55 12.865 -13.626 1.516 1.00 0.00 C ATOM 848 CG1 VAL B 55 13.889 -14.553 0.875 1.00 0.00 C ATOM 849 CG2 VAL B 55 13.483 -12.293 1.873 1.00 0.00 C ATOM 0 H VAL B 55 11.381 -15.384 -0.087 1.00 0.00 H new ATOM 0 HA VAL B 55 10.989 -12.683 1.066 1.00 0.00 H new ATOM 0 HB VAL B 55 12.529 -14.098 2.439 1.00 0.00 H new ATOM 0 HG11 VAL B 55 14.746 -14.664 1.540 1.00 0.00 H new ATOM 0 HG12 VAL B 55 13.437 -15.529 0.700 1.00 0.00 H new ATOM 0 HG13 VAL B 55 14.219 -14.130 -0.074 1.00 0.00 H new ATOM 0 HG21 VAL B 55 14.351 -12.454 2.513 1.00 0.00 H new ATOM 0 HG22 VAL B 55 13.793 -11.780 0.963 1.00 0.00 H new ATOM 0 HG23 VAL B 55 12.751 -11.683 2.402 1.00 0.00 H new ATOM 859 N GLY B 56 11.224 -13.310 -1.777 1.00 0.00 N ATOM 860 CA GLY B 56 11.528 -12.961 -3.148 1.00 0.00 C ATOM 861 C GLY B 56 10.804 -11.716 -3.621 1.00 0.00 C ATOM 862 O GLY B 56 10.747 -10.708 -2.907 1.00 0.00 O ATOM 0 H GLY B 56 10.365 -13.845 -1.651 1.00 0.00 H new ATOM 0 HA2 GLY B 56 12.603 -12.809 -3.248 1.00 0.00 H new ATOM 0 HA3 GLY B 56 11.263 -13.796 -3.796 1.00 0.00 H new ATOM 866 N ARG B 57 10.243 -11.791 -4.820 1.00 0.00 N ATOM 867 CA ARG B 57 9.610 -10.641 -5.453 1.00 0.00 C ATOM 868 C ARG B 57 8.217 -10.380 -4.898 1.00 0.00 C ATOM 869 O ARG B 57 7.499 -11.304 -4.512 1.00 0.00 O ATOM 870 CB ARG B 57 9.524 -10.846 -6.961 1.00 0.00 C ATOM 871 CG ARG B 57 10.863 -10.752 -7.663 1.00 0.00 C ATOM 872 CD ARG B 57 10.718 -10.976 -9.156 1.00 0.00 C ATOM 873 NE ARG B 57 9.860 -9.972 -9.790 1.00 0.00 N ATOM 874 CZ ARG B 57 9.405 -10.059 -11.042 1.00 0.00 C ATOM 875 NH1 ARG B 57 9.704 -11.114 -11.791 1.00 0.00 N ATOM 876 NH2 ARG B 57 8.650 -9.090 -11.543 1.00 0.00 N ATOM 0 H ARG B 57 10.213 -12.644 -5.378 1.00 0.00 H new ATOM 0 HA ARG B 57 10.231 -9.772 -5.233 1.00 0.00 H new ATOM 0 HB2 ARG B 57 9.086 -11.824 -7.162 1.00 0.00 H new ATOM 0 HB3 ARG B 57 8.849 -10.101 -7.383 1.00 0.00 H new ATOM 0 HG2 ARG B 57 11.304 -9.772 -7.481 1.00 0.00 H new ATOM 0 HG3 ARG B 57 11.547 -11.491 -7.247 1.00 0.00 H new ATOM 0 HD2 ARG B 57 11.703 -10.954 -9.621 1.00 0.00 H new ATOM 0 HD3 ARG B 57 10.304 -11.968 -9.333 1.00 0.00 H new ATOM 0 HE ARG B 57 9.594 -9.155 -9.240 1.00 0.00 H new ATOM 0 HH11 ARG B 57 10.283 -11.862 -11.410 1.00 0.00 H new ATOM 0 HH12 ARG B 57 9.354 -11.176 -12.747 1.00 0.00 H new ATOM 0 HH21 ARG B 57 8.417 -8.278 -10.972 1.00 0.00 H new ATOM 0 HH22 ARG B 57 8.303 -9.157 -12.500 1.00 0.00 H new ATOM 890 N TRP B 58 7.854 -9.107 -4.855 1.00 0.00 N ATOM 891 CA TRP B 58 6.513 -8.694 -4.471 1.00 0.00 C ATOM 892 C TRP B 58 5.647 -8.572 -5.720 1.00 0.00 C ATOM 893 O TRP B 58 6.068 -7.956 -6.701 1.00 0.00 O ATOM 894 CB TRP B 58 6.545 -7.339 -3.758 1.00 0.00 C ATOM 895 CG TRP B 58 7.435 -7.281 -2.550 1.00 0.00 C ATOM 896 CD1 TRP B 58 8.799 -7.292 -2.530 1.00 0.00 C ATOM 897 CD2 TRP B 58 7.017 -7.167 -1.186 1.00 0.00 C ATOM 898 NE1 TRP B 58 9.253 -7.207 -1.238 1.00 0.00 N ATOM 899 CE2 TRP B 58 8.179 -7.128 -0.394 1.00 0.00 C ATOM 900 CE3 TRP B 58 5.772 -7.100 -0.556 1.00 0.00 C ATOM 901 CZ2 TRP B 58 8.133 -7.022 0.993 1.00 0.00 C ATOM 902 CZ3 TRP B 58 5.727 -6.995 0.820 1.00 0.00 C ATOM 903 CH2 TRP B 58 6.901 -6.957 1.582 1.00 0.00 C ATOM 0 H TRP B 58 8.478 -8.334 -5.084 1.00 0.00 H new ATOM 0 HA TRP B 58 6.102 -9.442 -3.793 1.00 0.00 H new ATOM 0 HB2 TRP B 58 6.871 -6.579 -4.468 1.00 0.00 H new ATOM 0 HB3 TRP B 58 5.530 -7.079 -3.456 1.00 0.00 H new ATOM 0 HD1 TRP B 58 9.430 -7.358 -3.404 1.00 0.00 H new ATOM 0 HE1 TRP B 58 10.232 -7.203 -0.953 1.00 0.00 H new ATOM 0 HE3 TRP B 58 4.861 -7.130 -1.135 1.00 0.00 H new ATOM 0 HZ2 TRP B 58 9.037 -6.992 1.582 1.00 0.00 H new ATOM 0 HZ3 TRP B 58 4.770 -6.941 1.317 1.00 0.00 H new ATOM 0 HH2 TRP B 58 6.832 -6.875 2.657 1.00 0.00 H new ATOM 914 N LYS B 59 4.454 -9.151 -5.694 1.00 0.00 N ATOM 915 CA LYS B 59 3.535 -9.028 -6.821 1.00 0.00 C ATOM 916 C LYS B 59 3.041 -7.593 -6.922 1.00 0.00 C ATOM 917 O LYS B 59 2.846 -6.934 -5.905 1.00 0.00 O ATOM 918 CB LYS B 59 2.347 -9.978 -6.677 1.00 0.00 C ATOM 919 CG LYS B 59 2.733 -11.444 -6.608 1.00 0.00 C ATOM 920 CD LYS B 59 1.512 -12.343 -6.713 1.00 0.00 C ATOM 921 CE LYS B 59 1.880 -13.806 -6.553 1.00 0.00 C ATOM 922 NZ LYS B 59 0.731 -14.705 -6.840 1.00 0.00 N ATOM 0 H LYS B 59 4.101 -9.705 -4.914 1.00 0.00 H new ATOM 0 HA LYS B 59 4.072 -9.298 -7.730 1.00 0.00 H new ATOM 0 HB2 LYS B 59 1.793 -9.716 -5.776 1.00 0.00 H new ATOM 0 HB3 LYS B 59 1.672 -9.830 -7.520 1.00 0.00 H new ATOM 0 HG2 LYS B 59 3.429 -11.677 -7.414 1.00 0.00 H new ATOM 0 HG3 LYS B 59 3.253 -11.641 -5.671 1.00 0.00 H new ATOM 0 HD2 LYS B 59 0.787 -12.064 -5.948 1.00 0.00 H new ATOM 0 HD3 LYS B 59 1.030 -12.192 -7.679 1.00 0.00 H new ATOM 0 HE2 LYS B 59 2.705 -14.047 -7.223 1.00 0.00 H new ATOM 0 HE3 LYS B 59 2.233 -13.982 -5.537 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 1.026 -15.695 -6.719 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -0.048 -14.493 -6.184 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 0.410 -14.557 -7.818 1.00 0.00 H new ATOM 936 N GLU B 60 2.842 -7.113 -8.138 1.00 0.00 N ATOM 937 CA GLU B 60 2.498 -5.715 -8.350 1.00 0.00 C ATOM 938 C GLU B 60 1.097 -5.564 -8.924 1.00 0.00 C ATOM 939 O GLU B 60 0.777 -6.129 -9.970 1.00 0.00 O ATOM 940 CB GLU B 60 3.501 -5.066 -9.303 1.00 0.00 C ATOM 941 CG GLU B 60 4.943 -5.145 -8.834 1.00 0.00 C ATOM 942 CD GLU B 60 5.917 -4.710 -9.907 1.00 0.00 C ATOM 943 OE1 GLU B 60 6.197 -5.518 -10.820 1.00 0.00 O ATOM 944 OE2 GLU B 60 6.412 -3.566 -9.845 1.00 0.00 O ATOM 0 H GLU B 60 2.912 -7.667 -8.991 1.00 0.00 H new ATOM 0 HA GLU B 60 2.530 -5.219 -7.380 1.00 0.00 H new ATOM 0 HB2 GLU B 60 3.421 -5.545 -10.279 1.00 0.00 H new ATOM 0 HB3 GLU B 60 3.231 -4.019 -9.439 1.00 0.00 H new ATOM 0 HG2 GLU B 60 5.072 -4.517 -7.953 1.00 0.00 H new ATOM 0 HG3 GLU B 60 5.170 -6.168 -8.533 1.00 0.00 H new ATOM 951 N ALA B 61 0.270 -4.794 -8.236 1.00 0.00 N ATOM 952 CA ALA B 61 -1.052 -4.446 -8.730 1.00 0.00 C ATOM 953 C ALA B 61 -1.243 -2.936 -8.681 1.00 0.00 C ATOM 954 O ALA B 61 -1.009 -2.310 -7.648 1.00 0.00 O ATOM 955 CB ALA B 61 -2.128 -5.147 -7.916 1.00 0.00 C ATOM 0 H ALA B 61 0.494 -4.395 -7.325 1.00 0.00 H new ATOM 0 HA ALA B 61 -1.139 -4.778 -9.765 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -3.111 -4.874 -8.301 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -1.996 -6.226 -7.991 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -2.050 -4.844 -6.872 1.00 0.00 H new ATOM 961 N THR B 62 -1.648 -2.351 -9.797 1.00 0.00 N ATOM 962 CA THR B 62 -1.834 -0.912 -9.877 1.00 0.00 C ATOM 963 C THR B 62 -3.311 -0.544 -9.779 1.00 0.00 C ATOM 964 O THR B 62 -4.138 -1.033 -10.548 1.00 0.00 O ATOM 965 CB THR B 62 -1.257 -0.353 -11.188 1.00 0.00 C ATOM 966 OG1 THR B 62 0.092 -0.812 -11.359 1.00 0.00 O ATOM 967 CG2 THR B 62 -1.281 1.167 -11.188 1.00 0.00 C ATOM 0 H THR B 62 -1.854 -2.852 -10.661 1.00 0.00 H new ATOM 0 HA THR B 62 -1.300 -0.470 -9.036 1.00 0.00 H new ATOM 0 HB THR B 62 -1.874 -0.709 -12.013 1.00 0.00 H new ATOM 0 HG1 THR B 62 0.455 -0.455 -12.196 1.00 0.00 H new ATOM 0 HG21 THR B 62 -0.868 1.537 -12.126 1.00 0.00 H new ATOM 0 HG22 THR B 62 -2.309 1.515 -11.082 1.00 0.00 H new ATOM 0 HG23 THR B 62 -0.684 1.540 -10.356 1.00 0.00 H new ATOM 975 N ILE B 63 -3.633 0.307 -8.822 1.00 0.00 N ATOM 976 CA ILE B 63 -4.994 0.784 -8.635 1.00 0.00 C ATOM 977 C ILE B 63 -5.071 2.256 -9.015 1.00 0.00 C ATOM 978 O ILE B 63 -4.218 3.044 -8.607 1.00 0.00 O ATOM 979 CB ILE B 63 -5.471 0.621 -7.168 1.00 0.00 C ATOM 980 CG1 ILE B 63 -5.431 -0.845 -6.724 1.00 0.00 C ATOM 981 CG2 ILE B 63 -6.881 1.176 -6.993 1.00 0.00 C ATOM 982 CD1 ILE B 63 -4.059 -1.332 -6.298 1.00 0.00 C ATOM 0 H ILE B 63 -2.962 0.687 -8.154 1.00 0.00 H new ATOM 0 HA ILE B 63 -5.643 0.184 -9.273 1.00 0.00 H new ATOM 0 HB ILE B 63 -4.785 1.188 -6.539 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -6.125 -0.980 -5.894 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.787 -1.470 -7.543 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -7.195 1.051 -5.957 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -6.890 2.235 -7.250 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -7.567 0.639 -7.647 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -4.121 -2.379 -6.000 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -3.363 -1.233 -7.131 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.706 -0.735 -5.457 1.00 0.00 H new ATOM 994 N PRO B 64 -6.069 2.641 -9.827 1.00 0.00 N ATOM 995 CA PRO B 64 -6.307 4.045 -10.168 1.00 0.00 C ATOM 996 C PRO B 64 -6.354 4.928 -8.925 1.00 0.00 C ATOM 997 O PRO B 64 -6.970 4.567 -7.920 1.00 0.00 O ATOM 998 CB PRO B 64 -7.670 4.011 -10.860 1.00 0.00 C ATOM 999 CG PRO B 64 -7.759 2.645 -11.445 1.00 0.00 C ATOM 1000 CD PRO B 64 -7.030 1.740 -10.491 1.00 0.00 C ATOM 0 HA PRO B 64 -5.515 4.464 -10.788 1.00 0.00 H new ATOM 0 HB2 PRO B 64 -8.479 4.193 -10.152 1.00 0.00 H new ATOM 0 HB3 PRO B 64 -7.743 4.778 -11.631 1.00 0.00 H new ATOM 0 HG2 PRO B 64 -8.798 2.336 -11.560 1.00 0.00 H new ATOM 0 HG3 PRO B 64 -7.306 2.614 -12.436 1.00 0.00 H new ATOM 0 HD2 PRO B 64 -7.711 1.281 -9.774 1.00 0.00 H new ATOM 0 HD3 PRO B 64 -6.524 0.929 -11.015 1.00 0.00 H new ATOM 1008 N GLY B 65 -5.723 6.095 -9.009 1.00 0.00 N ATOM 1009 CA GLY B 65 -5.562 6.960 -7.850 1.00 0.00 C ATOM 1010 C GLY B 65 -6.853 7.600 -7.370 1.00 0.00 C ATOM 1011 O GLY B 65 -6.835 8.459 -6.491 1.00 0.00 O ATOM 0 H GLY B 65 -5.315 6.462 -9.869 1.00 0.00 H new ATOM 0 HA2 GLY B 65 -5.131 6.380 -7.034 1.00 0.00 H new ATOM 0 HA3 GLY B 65 -4.848 7.747 -8.093 1.00 0.00 H new ATOM 1015 N HIS B 66 -7.974 7.189 -7.940 1.00 0.00 N ATOM 1016 CA HIS B 66 -9.272 7.673 -7.495 1.00 0.00 C ATOM 1017 C HIS B 66 -10.043 6.564 -6.783 1.00 0.00 C ATOM 1018 O HIS B 66 -11.249 6.672 -6.566 1.00 0.00 O ATOM 1019 CB HIS B 66 -10.087 8.257 -8.664 1.00 0.00 C ATOM 1020 CG HIS B 66 -10.216 7.361 -9.862 1.00 0.00 C ATOM 1021 ND1 HIS B 66 -9.478 7.540 -11.012 1.00 0.00 N ATOM 1022 CD2 HIS B 66 -11.018 6.296 -10.098 1.00 0.00 C ATOM 1023 CE1 HIS B 66 -9.822 6.630 -11.902 1.00 0.00 C ATOM 1024 NE2 HIS B 66 -10.754 5.860 -11.374 1.00 0.00 N ATOM 0 H HIS B 66 -8.012 6.522 -8.711 1.00 0.00 H new ATOM 0 HA HIS B 66 -9.103 8.481 -6.783 1.00 0.00 H new ATOM 0 HB2 HIS B 66 -11.086 8.501 -8.303 1.00 0.00 H new ATOM 0 HB3 HIS B 66 -9.624 9.192 -8.978 1.00 0.00 H new ATOM 0 HD2 HIS B 66 -11.733 5.868 -9.411 1.00 0.00 H new ATOM 0 HE1 HIS B 66 -9.410 6.532 -12.896 1.00 0.00 H new ATOM 0 HE2 HIS B 66 -11.205 5.071 -11.837 1.00 0.00 H new ATOM 1033 N LEU B 67 -9.334 5.496 -6.425 1.00 0.00 N ATOM 1034 CA LEU B 67 -9.915 4.409 -5.640 1.00 0.00 C ATOM 1035 C LEU B 67 -9.152 4.263 -4.330 1.00 0.00 C ATOM 1036 O LEU B 67 -8.081 4.851 -4.165 1.00 0.00 O ATOM 1037 CB LEU B 67 -9.858 3.077 -6.400 1.00 0.00 C ATOM 1038 CG LEU B 67 -10.460 3.077 -7.805 1.00 0.00 C ATOM 1039 CD1 LEU B 67 -10.404 1.684 -8.405 1.00 0.00 C ATOM 1040 CD2 LEU B 67 -11.894 3.585 -7.784 1.00 0.00 C ATOM 0 H LEU B 67 -8.353 5.360 -6.667 1.00 0.00 H new ATOM 0 HA LEU B 67 -10.959 4.655 -5.448 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -8.815 2.769 -6.474 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -10.373 2.321 -5.806 1.00 0.00 H new ATOM 0 HG LEU B 67 -9.869 3.751 -8.426 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -10.836 1.701 -9.405 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -9.367 1.355 -8.464 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -10.969 0.995 -7.777 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -12.298 3.575 -8.796 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -12.499 2.941 -7.145 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -11.914 4.603 -7.396 1.00 0.00 H new ATOM 1052 N ASN B 68 -9.700 3.492 -3.401 1.00 0.00 N ATOM 1053 CA ASN B 68 -9.012 3.217 -2.143 1.00 0.00 C ATOM 1054 C ASN B 68 -9.220 1.770 -1.713 1.00 0.00 C ATOM 1055 O ASN B 68 -9.158 1.443 -0.526 1.00 0.00 O ATOM 1056 CB ASN B 68 -9.470 4.174 -1.030 1.00 0.00 C ATOM 1057 CG ASN B 68 -10.896 3.936 -0.556 1.00 0.00 C ATOM 1058 OD1 ASN B 68 -11.777 3.556 -1.329 1.00 0.00 O ATOM 1059 ND2 ASN B 68 -11.126 4.147 0.731 1.00 0.00 N ATOM 0 H ASN B 68 -10.613 3.047 -3.492 1.00 0.00 H new ATOM 0 HA ASN B 68 -7.948 3.380 -2.313 1.00 0.00 H new ATOM 0 HB2 ASN B 68 -8.795 4.076 -0.180 1.00 0.00 H new ATOM 0 HB3 ASN B 68 -9.384 5.200 -1.389 1.00 0.00 H new ATOM 0 HD21 ASN B 68 -12.059 3.995 1.114 1.00 0.00 H new ATOM 0 HD22 ASN B 68 -10.370 4.462 1.339 1.00 0.00 H new ATOM 1066 N SER B 69 -9.449 0.896 -2.684 1.00 0.00 N ATOM 1067 CA SER B 69 -9.676 -0.510 -2.398 1.00 0.00 C ATOM 1068 C SER B 69 -9.281 -1.377 -3.589 1.00 0.00 C ATOM 1069 O SER B 69 -9.423 -0.968 -4.743 1.00 0.00 O ATOM 1070 CB SER B 69 -11.148 -0.743 -2.046 1.00 0.00 C ATOM 1071 OG SER B 69 -11.390 -2.098 -1.706 1.00 0.00 O ATOM 0 H SER B 69 -9.482 1.138 -3.674 1.00 0.00 H new ATOM 0 HA SER B 69 -9.055 -0.791 -1.547 1.00 0.00 H new ATOM 0 HB2 SER B 69 -11.430 -0.101 -1.212 1.00 0.00 H new ATOM 0 HB3 SER B 69 -11.775 -0.461 -2.892 1.00 0.00 H new ATOM 0 HG SER B 69 -12.337 -2.216 -1.485 1.00 0.00 H new ATOM 1077 N TYR B 70 -8.770 -2.565 -3.299 1.00 0.00 N ATOM 1078 CA TYR B 70 -8.431 -3.531 -4.331 1.00 0.00 C ATOM 1079 C TYR B 70 -8.831 -4.933 -3.884 1.00 0.00 C ATOM 1080 O TYR B 70 -8.703 -5.276 -2.709 1.00 0.00 O ATOM 1081 CB TYR B 70 -6.929 -3.484 -4.636 1.00 0.00 C ATOM 1082 CG TYR B 70 -6.490 -4.462 -5.704 1.00 0.00 C ATOM 1083 CD1 TYR B 70 -6.866 -4.289 -7.029 1.00 0.00 C ATOM 1084 CD2 TYR B 70 -5.698 -5.555 -5.385 1.00 0.00 C ATOM 1085 CE1 TYR B 70 -6.471 -5.184 -8.005 1.00 0.00 C ATOM 1086 CE2 TYR B 70 -5.297 -6.454 -6.355 1.00 0.00 C ATOM 1087 CZ TYR B 70 -5.687 -6.264 -7.663 1.00 0.00 C ATOM 1088 OH TYR B 70 -5.292 -7.160 -8.631 1.00 0.00 O ATOM 0 H TYR B 70 -8.580 -2.884 -2.349 1.00 0.00 H new ATOM 0 HA TYR B 70 -8.978 -3.278 -5.239 1.00 0.00 H new ATOM 0 HB2 TYR B 70 -6.663 -2.475 -4.950 1.00 0.00 H new ATOM 0 HB3 TYR B 70 -6.375 -3.689 -3.720 1.00 0.00 H new ATOM 0 HD1 TYR B 70 -7.477 -3.441 -7.301 1.00 0.00 H new ATOM 0 HD2 TYR B 70 -5.389 -5.706 -4.361 1.00 0.00 H new ATOM 0 HE1 TYR B 70 -6.775 -5.038 -9.031 1.00 0.00 H new ATOM 0 HE2 TYR B 70 -4.681 -7.301 -6.089 1.00 0.00 H new ATOM 0 HH TYR B 70 -4.743 -7.862 -8.223 1.00 0.00 H new ATOM 1098 N THR B 71 -9.329 -5.730 -4.811 1.00 0.00 N ATOM 1099 CA THR B 71 -9.680 -7.106 -4.515 1.00 0.00 C ATOM 1100 C THR B 71 -8.585 -8.050 -5.002 1.00 0.00 C ATOM 1101 O THR B 71 -8.482 -8.330 -6.198 1.00 0.00 O ATOM 1102 CB THR B 71 -11.020 -7.489 -5.169 1.00 0.00 C ATOM 1103 OG1 THR B 71 -12.021 -6.522 -4.822 1.00 0.00 O ATOM 1104 CG2 THR B 71 -11.472 -8.871 -4.721 1.00 0.00 C ATOM 0 H THR B 71 -9.500 -5.448 -5.776 1.00 0.00 H new ATOM 0 HA THR B 71 -9.782 -7.198 -3.434 1.00 0.00 H new ATOM 0 HB THR B 71 -10.880 -7.505 -6.250 1.00 0.00 H new ATOM 0 HG1 THR B 71 -12.872 -6.767 -5.241 1.00 0.00 H new ATOM 0 HG21 THR B 71 -12.421 -9.116 -5.198 1.00 0.00 H new ATOM 0 HG22 THR B 71 -10.722 -9.609 -5.005 1.00 0.00 H new ATOM 0 HG23 THR B 71 -11.597 -8.880 -3.638 1.00 0.00 H new ATOM 1112 N ILE B 72 -7.757 -8.518 -4.074 1.00 0.00 N ATOM 1113 CA ILE B 72 -6.667 -9.425 -4.410 1.00 0.00 C ATOM 1114 C ILE B 72 -7.197 -10.844 -4.548 1.00 0.00 C ATOM 1115 O ILE B 72 -7.695 -11.419 -3.582 1.00 0.00 O ATOM 1116 CB ILE B 72 -5.552 -9.426 -3.337 1.00 0.00 C ATOM 1117 CG1 ILE B 72 -5.094 -8.002 -3.014 1.00 0.00 C ATOM 1118 CG2 ILE B 72 -4.371 -10.267 -3.810 1.00 0.00 C ATOM 1119 CD1 ILE B 72 -4.050 -7.936 -1.918 1.00 0.00 C ATOM 0 H ILE B 72 -7.821 -8.284 -3.083 1.00 0.00 H new ATOM 0 HA ILE B 72 -6.243 -9.074 -5.351 1.00 0.00 H new ATOM 0 HB ILE B 72 -5.958 -9.863 -2.425 1.00 0.00 H new ATOM 0 HG12 ILE B 72 -4.690 -7.545 -3.917 1.00 0.00 H new ATOM 0 HG13 ILE B 72 -5.959 -7.409 -2.717 1.00 0.00 H new ATOM 0 HG21 ILE B 72 -3.592 -10.261 -3.048 1.00 0.00 H new ATOM 0 HG22 ILE B 72 -4.700 -11.291 -3.984 1.00 0.00 H new ATOM 0 HG23 ILE B 72 -3.975 -9.850 -4.736 1.00 0.00 H new ATOM 0 HD11 ILE B 72 -3.772 -6.897 -1.742 1.00 0.00 H new ATOM 0 HD12 ILE B 72 -4.457 -8.363 -1.001 1.00 0.00 H new ATOM 0 HD13 ILE B 72 -3.168 -8.501 -2.221 1.00 0.00 H new ATOM 1131 N LYS B 73 -7.103 -11.399 -5.743 1.00 0.00 N ATOM 1132 CA LYS B 73 -7.529 -12.769 -5.978 1.00 0.00 C ATOM 1133 C LYS B 73 -6.323 -13.635 -6.307 1.00 0.00 C ATOM 1134 O LYS B 73 -5.468 -13.243 -7.100 1.00 0.00 O ATOM 1135 CB LYS B 73 -8.554 -12.831 -7.114 1.00 0.00 C ATOM 1136 CG LYS B 73 -9.829 -12.051 -6.832 1.00 0.00 C ATOM 1137 CD LYS B 73 -10.788 -12.120 -8.009 1.00 0.00 C ATOM 1138 CE LYS B 73 -12.051 -11.307 -7.759 1.00 0.00 C ATOM 1139 NZ LYS B 73 -12.892 -11.883 -6.673 1.00 0.00 N ATOM 0 H LYS B 73 -6.735 -10.923 -6.567 1.00 0.00 H new ATOM 0 HA LYS B 73 -8.003 -13.147 -5.072 1.00 0.00 H new ATOM 0 HB2 LYS B 73 -8.097 -12.445 -8.025 1.00 0.00 H new ATOM 0 HB3 LYS B 73 -8.811 -13.873 -7.303 1.00 0.00 H new ATOM 0 HG2 LYS B 73 -10.313 -12.451 -5.941 1.00 0.00 H new ATOM 0 HG3 LYS B 73 -9.583 -11.010 -6.621 1.00 0.00 H new ATOM 0 HD2 LYS B 73 -10.290 -11.751 -8.906 1.00 0.00 H new ATOM 0 HD3 LYS B 73 -11.056 -13.159 -8.198 1.00 0.00 H new ATOM 0 HE2 LYS B 73 -11.776 -10.285 -7.498 1.00 0.00 H new ATOM 0 HE3 LYS B 73 -12.635 -11.256 -8.678 1.00 0.00 H new ATOM 0 HZ1 LYS B 73 -13.786 -11.355 -6.609 1.00 0.00 H new ATOM 0 HZ2 LYS B 73 -13.094 -12.882 -6.883 1.00 0.00 H new ATOM 0 HZ3 LYS B 73 -12.384 -11.815 -5.768 1.00 0.00 H new ATOM 1153 N GLY B 74 -6.246 -14.800 -5.685 1.00 0.00 N ATOM 1154 CA GLY B 74 -5.118 -15.682 -5.907 1.00 0.00 C ATOM 1155 C GLY B 74 -4.257 -15.830 -4.669 1.00 0.00 C ATOM 1156 O GLY B 74 -3.067 -16.132 -4.760 1.00 0.00 O ATOM 0 H GLY B 74 -6.944 -15.152 -5.030 1.00 0.00 H new ATOM 0 HA2 GLY B 74 -5.481 -16.663 -6.215 1.00 0.00 H new ATOM 0 HA3 GLY B 74 -4.511 -15.295 -6.726 1.00 0.00 H new ATOM 1160 N LEU B 75 -4.857 -15.601 -3.511 1.00 0.00 N ATOM 1161 CA LEU B 75 -4.167 -15.781 -2.243 1.00 0.00 C ATOM 1162 C LEU B 75 -4.427 -17.185 -1.717 1.00 0.00 C ATOM 1163 O LEU B 75 -5.477 -17.759 -1.973 1.00 0.00 O ATOM 1164 CB LEU B 75 -4.634 -14.736 -1.225 1.00 0.00 C ATOM 1165 CG LEU B 75 -4.263 -13.284 -1.549 1.00 0.00 C ATOM 1166 CD1 LEU B 75 -4.854 -12.347 -0.515 1.00 0.00 C ATOM 1167 CD2 LEU B 75 -2.752 -13.117 -1.611 1.00 0.00 C ATOM 0 H LEU B 75 -5.824 -15.289 -3.423 1.00 0.00 H new ATOM 0 HA LEU B 75 -3.096 -15.649 -2.399 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -5.718 -14.803 -1.133 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -4.215 -14.991 -0.251 1.00 0.00 H new ATOM 0 HG LEU B 75 -4.677 -13.033 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -4.583 -11.320 -0.758 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -5.940 -12.445 -0.514 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -4.466 -12.602 0.471 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -2.510 -12.080 -1.842 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -2.316 -13.386 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -2.346 -13.766 -2.387 1.00 0.00 H new ATOM 1179 N LYS B 76 -3.466 -17.743 -1.008 1.00 0.00 N ATOM 1180 CA LYS B 76 -3.568 -19.111 -0.522 1.00 0.00 C ATOM 1181 C LYS B 76 -4.088 -19.151 0.912 1.00 0.00 C ATOM 1182 O LYS B 76 -3.577 -18.450 1.789 1.00 0.00 O ATOM 1183 CB LYS B 76 -2.206 -19.800 -0.604 1.00 0.00 C ATOM 1184 CG LYS B 76 -1.602 -19.795 -1.998 1.00 0.00 C ATOM 1185 CD LYS B 76 -0.232 -20.448 -2.006 1.00 0.00 C ATOM 1186 CE LYS B 76 0.424 -20.364 -3.376 1.00 0.00 C ATOM 1187 NZ LYS B 76 -0.343 -21.097 -4.418 1.00 0.00 N ATOM 0 H LYS B 76 -2.599 -17.269 -0.753 1.00 0.00 H new ATOM 0 HA LYS B 76 -4.279 -19.642 -1.155 1.00 0.00 H new ATOM 0 HB2 LYS B 76 -1.518 -19.307 0.082 1.00 0.00 H new ATOM 0 HB3 LYS B 76 -2.309 -20.831 -0.266 1.00 0.00 H new ATOM 0 HG2 LYS B 76 -2.263 -20.323 -2.685 1.00 0.00 H new ATOM 0 HG3 LYS B 76 -1.521 -18.769 -2.358 1.00 0.00 H new ATOM 0 HD2 LYS B 76 0.406 -19.964 -1.267 1.00 0.00 H new ATOM 0 HD3 LYS B 76 -0.325 -21.493 -1.711 1.00 0.00 H new ATOM 0 HE2 LYS B 76 0.519 -19.318 -3.667 1.00 0.00 H new ATOM 0 HE3 LYS B 76 1.433 -20.771 -3.318 1.00 0.00 H new ATOM 0 HZ1 LYS B 76 0.201 -21.111 -5.304 1.00 0.00 H new ATOM 0 HZ2 LYS B 76 -0.514 -22.073 -4.101 1.00 0.00 H new ATOM 0 HZ3 LYS B 76 -1.253 -20.620 -4.579 1.00 0.00 H new ATOM 1201 N PRO B 77 -5.111 -19.980 1.168 1.00 0.00 N ATOM 1202 CA PRO B 77 -5.713 -20.109 2.494 1.00 0.00 C ATOM 1203 C PRO B 77 -4.769 -20.769 3.495 1.00 0.00 C ATOM 1204 O PRO B 77 -4.343 -21.911 3.311 1.00 0.00 O ATOM 1205 CB PRO B 77 -6.940 -20.992 2.252 1.00 0.00 C ATOM 1206 CG PRO B 77 -6.618 -21.764 1.021 1.00 0.00 C ATOM 1207 CD PRO B 77 -5.765 -20.858 0.179 1.00 0.00 C ATOM 0 HA PRO B 77 -5.954 -19.138 2.925 1.00 0.00 H new ATOM 0 HB2 PRO B 77 -7.123 -21.655 3.098 1.00 0.00 H new ATOM 0 HB3 PRO B 77 -7.839 -20.391 2.118 1.00 0.00 H new ATOM 0 HG2 PRO B 77 -6.088 -22.685 1.265 1.00 0.00 H new ATOM 0 HG3 PRO B 77 -7.526 -22.050 0.490 1.00 0.00 H new ATOM 0 HD2 PRO B 77 -5.035 -21.421 -0.402 1.00 0.00 H new ATOM 0 HD3 PRO B 77 -6.365 -20.287 -0.530 1.00 0.00 H new ATOM 1215 N GLY B 78 -4.444 -20.038 4.550 1.00 0.00 N ATOM 1216 CA GLY B 78 -3.561 -20.555 5.572 1.00 0.00 C ATOM 1217 C GLY B 78 -2.185 -19.935 5.499 1.00 0.00 C ATOM 1218 O GLY B 78 -1.351 -20.152 6.379 1.00 0.00 O ATOM 0 H GLY B 78 -4.779 -19.089 4.716 1.00 0.00 H new ATOM 0 HA2 GLY B 78 -3.993 -20.364 6.554 1.00 0.00 H new ATOM 0 HA3 GLY B 78 -3.477 -21.637 5.465 1.00 0.00 H new ATOM 1222 N VAL B 79 -1.948 -19.159 4.454 1.00 0.00 N ATOM 1223 CA VAL B 79 -0.660 -18.512 4.262 1.00 0.00 C ATOM 1224 C VAL B 79 -0.719 -17.055 4.706 1.00 0.00 C ATOM 1225 O VAL B 79 -1.687 -16.344 4.420 1.00 0.00 O ATOM 1226 CB VAL B 79 -0.211 -18.589 2.784 1.00 0.00 C ATOM 1227 CG1 VAL B 79 1.151 -17.949 2.585 1.00 0.00 C ATOM 1228 CG2 VAL B 79 -0.176 -20.027 2.305 1.00 0.00 C ATOM 0 H VAL B 79 -2.632 -18.961 3.724 1.00 0.00 H new ATOM 0 HA VAL B 79 0.069 -19.042 4.874 1.00 0.00 H new ATOM 0 HB VAL B 79 -0.942 -18.036 2.194 1.00 0.00 H new ATOM 0 HG11 VAL B 79 1.437 -18.020 1.536 1.00 0.00 H new ATOM 0 HG12 VAL B 79 1.107 -16.900 2.879 1.00 0.00 H new ATOM 0 HG13 VAL B 79 1.889 -18.466 3.198 1.00 0.00 H new ATOM 0 HG21 VAL B 79 0.143 -20.056 1.263 1.00 0.00 H new ATOM 0 HG22 VAL B 79 0.525 -20.597 2.915 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -1.171 -20.464 2.392 1.00 0.00 H new ATOM 1238 N VAL B 80 0.304 -16.625 5.434 1.00 0.00 N ATOM 1239 CA VAL B 80 0.411 -15.235 5.849 1.00 0.00 C ATOM 1240 C VAL B 80 1.273 -14.456 4.853 1.00 0.00 C ATOM 1241 O VAL B 80 2.228 -14.995 4.288 1.00 0.00 O ATOM 1242 CB VAL B 80 0.978 -15.103 7.286 1.00 0.00 C ATOM 1243 CG1 VAL B 80 -0.004 -15.664 8.299 1.00 0.00 C ATOM 1244 CG2 VAL B 80 2.318 -15.808 7.426 1.00 0.00 C ATOM 0 H VAL B 80 1.071 -17.220 5.748 1.00 0.00 H new ATOM 0 HA VAL B 80 -0.593 -14.811 5.860 1.00 0.00 H new ATOM 0 HB VAL B 80 1.130 -14.041 7.480 1.00 0.00 H new ATOM 0 HG11 VAL B 80 0.410 -15.563 9.302 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -0.944 -15.115 8.238 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.185 -16.717 8.086 1.00 0.00 H new ATOM 0 HG21 VAL B 80 2.684 -15.694 8.446 1.00 0.00 H new ATOM 0 HG22 VAL B 80 2.197 -16.867 7.200 1.00 0.00 H new ATOM 0 HG23 VAL B 80 3.035 -15.369 6.732 1.00 0.00 H new ATOM 1254 N TYR B 81 0.923 -13.199 4.621 1.00 0.00 N ATOM 1255 CA TYR B 81 1.574 -12.395 3.590 1.00 0.00 C ATOM 1256 C TYR B 81 2.059 -11.055 4.138 1.00 0.00 C ATOM 1257 O TYR B 81 1.547 -10.556 5.140 1.00 0.00 O ATOM 1258 CB TYR B 81 0.601 -12.115 2.438 1.00 0.00 C ATOM 1259 CG TYR B 81 0.203 -13.318 1.611 1.00 0.00 C ATOM 1260 CD1 TYR B 81 -0.800 -14.184 2.033 1.00 0.00 C ATOM 1261 CD2 TYR B 81 0.814 -13.570 0.391 1.00 0.00 C ATOM 1262 CE1 TYR B 81 -1.177 -15.267 1.262 1.00 0.00 C ATOM 1263 CE2 TYR B 81 0.445 -14.651 -0.383 1.00 0.00 C ATOM 1264 CZ TYR B 81 -0.550 -15.497 0.055 1.00 0.00 C ATOM 1265 OH TYR B 81 -0.924 -16.569 -0.723 1.00 0.00 O ATOM 0 H TYR B 81 0.189 -12.710 5.134 1.00 0.00 H new ATOM 0 HA TYR B 81 2.431 -12.968 3.237 1.00 0.00 H new ATOM 0 HB2 TYR B 81 -0.302 -11.665 2.850 1.00 0.00 H new ATOM 0 HB3 TYR B 81 1.052 -11.375 1.777 1.00 0.00 H new ATOM 0 HD1 TYR B 81 -1.292 -14.007 2.978 1.00 0.00 H new ATOM 0 HD2 TYR B 81 1.592 -12.908 0.041 1.00 0.00 H new ATOM 0 HE1 TYR B 81 -1.959 -15.930 1.603 1.00 0.00 H new ATOM 0 HE2 TYR B 81 0.934 -14.833 -1.328 1.00 0.00 H new ATOM 0 HH TYR B 81 -0.383 -16.585 -1.540 1.00 0.00 H new ATOM 1275 N GLU B 82 3.042 -10.483 3.458 1.00 0.00 N ATOM 1276 CA GLU B 82 3.471 -9.113 3.709 1.00 0.00 C ATOM 1277 C GLU B 82 2.939 -8.223 2.596 1.00 0.00 C ATOM 1278 O GLU B 82 2.861 -8.657 1.446 1.00 0.00 O ATOM 1279 CB GLU B 82 4.998 -9.017 3.757 1.00 0.00 C ATOM 1280 CG GLU B 82 5.623 -9.627 4.997 1.00 0.00 C ATOM 1281 CD GLU B 82 5.336 -8.830 6.251 1.00 0.00 C ATOM 1282 OE1 GLU B 82 5.856 -7.694 6.371 1.00 0.00 O ATOM 1283 OE2 GLU B 82 4.615 -9.337 7.136 1.00 0.00 O ATOM 0 H GLU B 82 3.564 -10.953 2.719 1.00 0.00 H new ATOM 0 HA GLU B 82 3.080 -8.790 4.674 1.00 0.00 H new ATOM 0 HB2 GLU B 82 5.409 -9.511 2.877 1.00 0.00 H new ATOM 0 HB3 GLU B 82 5.286 -7.968 3.698 1.00 0.00 H new ATOM 0 HG2 GLU B 82 5.249 -10.643 5.124 1.00 0.00 H new ATOM 0 HG3 GLU B 82 6.702 -9.699 4.857 1.00 0.00 H new ATOM 1290 N GLY B 83 2.573 -6.993 2.925 1.00 0.00 N ATOM 1291 CA GLY B 83 2.004 -6.112 1.928 1.00 0.00 C ATOM 1292 C GLY B 83 2.559 -4.704 1.991 1.00 0.00 C ATOM 1293 O GLY B 83 2.942 -4.220 3.057 1.00 0.00 O ATOM 0 H GLY B 83 2.659 -6.592 3.859 1.00 0.00 H new ATOM 0 HA2 GLY B 83 2.191 -6.526 0.937 1.00 0.00 H new ATOM 0 HA3 GLY B 83 0.922 -6.076 2.059 1.00 0.00 H new ATOM 1297 N GLN B 84 2.609 -4.053 0.840 1.00 0.00 N ATOM 1298 CA GLN B 84 3.038 -2.666 0.741 1.00 0.00 C ATOM 1299 C GLN B 84 2.097 -1.886 -0.165 1.00 0.00 C ATOM 1300 O GLN B 84 1.836 -2.295 -1.297 1.00 0.00 O ATOM 1301 CB GLN B 84 4.460 -2.572 0.186 1.00 0.00 C ATOM 1302 CG GLN B 84 5.531 -3.108 1.115 1.00 0.00 C ATOM 1303 CD GLN B 84 6.920 -2.930 0.542 1.00 0.00 C ATOM 1304 OE1 GLN B 84 7.554 -1.897 0.737 1.00 0.00 O ATOM 1305 NE2 GLN B 84 7.399 -3.929 -0.181 1.00 0.00 N ATOM 0 H GLN B 84 2.353 -4.472 -0.054 1.00 0.00 H new ATOM 0 HA GLN B 84 3.019 -2.239 1.744 1.00 0.00 H new ATOM 0 HB2 GLN B 84 4.506 -3.119 -0.756 1.00 0.00 H new ATOM 0 HB3 GLN B 84 4.681 -1.529 -0.040 1.00 0.00 H new ATOM 0 HG2 GLN B 84 5.467 -2.597 2.075 1.00 0.00 H new ATOM 0 HG3 GLN B 84 5.350 -4.166 1.305 1.00 0.00 H new ATOM 0 HE21 GLN B 84 6.841 -4.771 -0.320 1.00 0.00 H new ATOM 0 HE22 GLN B 84 8.326 -3.857 -0.599 1.00 0.00 H new ATOM 1314 N LEU B 85 1.588 -0.775 0.342 1.00 0.00 N ATOM 1315 CA LEU B 85 0.738 0.115 -0.434 1.00 0.00 C ATOM 1316 C LEU B 85 1.504 1.398 -0.735 1.00 0.00 C ATOM 1317 O LEU B 85 1.799 2.179 0.168 1.00 0.00 O ATOM 1318 CB LEU B 85 -0.556 0.408 0.350 1.00 0.00 C ATOM 1319 CG LEU B 85 -1.662 1.183 -0.389 1.00 0.00 C ATOM 1320 CD1 LEU B 85 -1.356 2.671 -0.450 1.00 0.00 C ATOM 1321 CD2 LEU B 85 -1.860 0.631 -1.793 1.00 0.00 C ATOM 0 H LEU B 85 1.751 -0.465 1.300 1.00 0.00 H new ATOM 0 HA LEU B 85 0.462 -0.355 -1.378 1.00 0.00 H new ATOM 0 HB2 LEU B 85 -0.973 -0.543 0.682 1.00 0.00 H new ATOM 0 HB3 LEU B 85 -0.290 0.970 1.245 1.00 0.00 H new ATOM 0 HG LEU B 85 -2.585 1.051 0.175 1.00 0.00 H new ATOM 0 HD11 LEU B 85 -2.158 3.186 -0.979 1.00 0.00 H new ATOM 0 HD12 LEU B 85 -1.275 3.068 0.562 1.00 0.00 H new ATOM 0 HD13 LEU B 85 -0.415 2.828 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU B 85 -2.646 1.193 -2.297 1.00 0.00 H new ATOM 0 HD22 LEU B 85 -0.930 0.723 -2.355 1.00 0.00 H new ATOM 0 HD23 LEU B 85 -2.146 -0.419 -1.734 1.00 0.00 H new ATOM 1333 N ILE B 86 1.851 1.600 -1.997 1.00 0.00 N ATOM 1334 CA ILE B 86 2.619 2.772 -2.393 1.00 0.00 C ATOM 1335 C ILE B 86 1.746 3.741 -3.181 1.00 0.00 C ATOM 1336 O ILE B 86 1.195 3.384 -4.222 1.00 0.00 O ATOM 1337 CB ILE B 86 3.859 2.409 -3.253 1.00 0.00 C ATOM 1338 CG1 ILE B 86 4.701 1.314 -2.589 1.00 0.00 C ATOM 1339 CG2 ILE B 86 4.720 3.643 -3.488 1.00 0.00 C ATOM 1340 CD1 ILE B 86 4.222 -0.094 -2.876 1.00 0.00 C ATOM 0 H ILE B 86 1.614 0.970 -2.763 1.00 0.00 H new ATOM 0 HA ILE B 86 2.967 3.237 -1.471 1.00 0.00 H new ATOM 0 HB ILE B 86 3.497 2.031 -4.209 1.00 0.00 H new ATOM 0 HG12 ILE B 86 5.733 1.411 -2.925 1.00 0.00 H new ATOM 0 HG13 ILE B 86 4.700 1.474 -1.511 1.00 0.00 H new ATOM 0 HG21 ILE B 86 5.586 3.373 -4.093 1.00 0.00 H new ATOM 0 HG22 ILE B 86 4.135 4.401 -4.010 1.00 0.00 H new ATOM 0 HG23 ILE B 86 5.056 4.040 -2.530 1.00 0.00 H new ATOM 0 HD11 ILE B 86 4.871 -0.809 -2.370 1.00 0.00 H new ATOM 0 HD12 ILE B 86 3.201 -0.212 -2.514 1.00 0.00 H new ATOM 0 HD13 ILE B 86 4.250 -0.276 -3.950 1.00 0.00 H new ATOM 1352 N SER B 87 1.608 4.956 -2.678 1.00 0.00 N ATOM 1353 CA SER B 87 0.851 5.982 -3.372 1.00 0.00 C ATOM 1354 C SER B 87 1.777 6.861 -4.207 1.00 0.00 C ATOM 1355 O SER B 87 2.766 7.396 -3.702 1.00 0.00 O ATOM 1356 CB SER B 87 0.068 6.824 -2.363 1.00 0.00 C ATOM 1357 OG SER B 87 0.886 7.205 -1.274 1.00 0.00 O ATOM 0 H SER B 87 2.011 5.256 -1.790 1.00 0.00 H new ATOM 0 HA SER B 87 0.144 5.501 -4.048 1.00 0.00 H new ATOM 0 HB2 SER B 87 -0.326 7.714 -2.855 1.00 0.00 H new ATOM 0 HB3 SER B 87 -0.788 6.257 -1.998 1.00 0.00 H new ATOM 0 HG SER B 87 0.322 7.499 -0.529 1.00 0.00 H new ATOM 1363 N ILE B 88 1.473 6.977 -5.492 1.00 0.00 N ATOM 1364 CA ILE B 88 2.251 7.818 -6.389 1.00 0.00 C ATOM 1365 C ILE B 88 1.473 9.085 -6.717 1.00 0.00 C ATOM 1366 O ILE B 88 0.443 9.025 -7.388 1.00 0.00 O ATOM 1367 CB ILE B 88 2.588 7.085 -7.706 1.00 0.00 C ATOM 1368 CG1 ILE B 88 3.241 5.728 -7.421 1.00 0.00 C ATOM 1369 CG2 ILE B 88 3.496 7.944 -8.578 1.00 0.00 C ATOM 1370 CD1 ILE B 88 4.547 5.818 -6.661 1.00 0.00 C ATOM 0 H ILE B 88 0.691 6.497 -5.937 1.00 0.00 H new ATOM 0 HA ILE B 88 3.183 8.066 -5.880 1.00 0.00 H new ATOM 0 HB ILE B 88 1.658 6.908 -8.246 1.00 0.00 H new ATOM 0 HG12 ILE B 88 2.543 5.114 -6.852 1.00 0.00 H new ATOM 0 HG13 ILE B 88 3.418 5.216 -8.367 1.00 0.00 H new ATOM 0 HG21 ILE B 88 3.723 7.412 -9.502 1.00 0.00 H new ATOM 0 HG22 ILE B 88 2.993 8.882 -8.814 1.00 0.00 H new ATOM 0 HG23 ILE B 88 4.422 8.154 -8.043 1.00 0.00 H new ATOM 0 HD11 ILE B 88 4.944 4.816 -6.500 1.00 0.00 H new ATOM 0 HD12 ILE B 88 5.263 6.404 -7.237 1.00 0.00 H new ATOM 0 HD13 ILE B 88 4.375 6.299 -5.698 1.00 0.00 H new ATOM 1382 N GLN B 89 1.947 10.223 -6.232 1.00 0.00 N ATOM 1383 CA GLN B 89 1.254 11.485 -6.456 1.00 0.00 C ATOM 1384 C GLN B 89 1.733 12.190 -7.718 1.00 0.00 C ATOM 1385 O GLN B 89 2.623 11.708 -8.418 1.00 0.00 O ATOM 1386 CB GLN B 89 1.438 12.430 -5.276 1.00 0.00 C ATOM 1387 CG GLN B 89 0.913 11.896 -3.956 1.00 0.00 C ATOM 1388 CD GLN B 89 1.051 12.916 -2.850 1.00 0.00 C ATOM 1389 OE1 GLN B 89 1.000 14.120 -3.099 1.00 0.00 O ATOM 1390 NE2 GLN B 89 1.254 12.453 -1.632 1.00 0.00 N ATOM 0 H GLN B 89 2.804 10.300 -5.684 1.00 0.00 H new ATOM 0 HA GLN B 89 0.200 11.233 -6.572 1.00 0.00 H new ATOM 0 HB2 GLN B 89 2.499 12.653 -5.167 1.00 0.00 H new ATOM 0 HB3 GLN B 89 0.936 13.371 -5.499 1.00 0.00 H new ATOM 0 HG2 GLN B 89 -0.135 11.617 -4.066 1.00 0.00 H new ATOM 0 HG3 GLN B 89 1.457 10.991 -3.687 1.00 0.00 H new ATOM 0 HE21 GLN B 89 1.289 11.447 -1.468 1.00 0.00 H new ATOM 0 HE22 GLN B 89 1.376 13.101 -0.854 1.00 0.00 H new ATOM 1399 N GLN B 90 1.142 13.350 -7.974 1.00 0.00 N ATOM 1400 CA GLN B 90 1.474 14.176 -9.130 1.00 0.00 C ATOM 1401 C GLN B 90 2.967 14.510 -9.182 1.00 0.00 C ATOM 1402 O GLN B 90 3.609 14.382 -10.226 1.00 0.00 O ATOM 1403 CB GLN B 90 0.653 15.464 -9.066 1.00 0.00 C ATOM 1404 CG GLN B 90 0.906 16.426 -10.210 1.00 0.00 C ATOM 1405 CD GLN B 90 0.060 17.674 -10.096 1.00 0.00 C ATOM 1406 OE1 GLN B 90 -1.066 17.718 -10.592 1.00 0.00 O ATOM 1407 NE2 GLN B 90 0.598 18.696 -9.446 1.00 0.00 N ATOM 0 H GLN B 90 0.413 13.748 -7.382 1.00 0.00 H new ATOM 0 HA GLN B 90 1.236 13.617 -10.035 1.00 0.00 H new ATOM 0 HB2 GLN B 90 -0.406 15.205 -9.053 1.00 0.00 H new ATOM 0 HB3 GLN B 90 0.869 15.972 -8.126 1.00 0.00 H new ATOM 0 HG2 GLN B 90 1.960 16.702 -10.225 1.00 0.00 H new ATOM 0 HG3 GLN B 90 0.693 15.929 -11.156 1.00 0.00 H new ATOM 0 HE21 GLN B 90 1.535 18.613 -9.052 1.00 0.00 H new ATOM 0 HE22 GLN B 90 0.075 19.565 -9.340 1.00 0.00 H new ATOM 1416 N TYR B 91 3.521 14.900 -8.040 1.00 0.00 N ATOM 1417 CA TYR B 91 4.908 15.363 -7.972 1.00 0.00 C ATOM 1418 C TYR B 91 5.881 14.196 -7.834 1.00 0.00 C ATOM 1419 O TYR B 91 7.052 14.391 -7.517 1.00 0.00 O ATOM 1420 CB TYR B 91 5.093 16.310 -6.779 1.00 0.00 C ATOM 1421 CG TYR B 91 4.145 17.487 -6.762 1.00 0.00 C ATOM 1422 CD1 TYR B 91 2.903 17.393 -6.150 1.00 0.00 C ATOM 1423 CD2 TYR B 91 4.499 18.697 -7.348 1.00 0.00 C ATOM 1424 CE1 TYR B 91 2.038 18.467 -6.122 1.00 0.00 C ATOM 1425 CE2 TYR B 91 3.637 19.778 -7.325 1.00 0.00 C ATOM 1426 CZ TYR B 91 2.409 19.656 -6.711 1.00 0.00 C ATOM 1427 OH TYR B 91 1.548 20.727 -6.679 1.00 0.00 O ATOM 0 H TYR B 91 3.032 14.906 -7.145 1.00 0.00 H new ATOM 0 HA TYR B 91 5.122 15.889 -8.903 1.00 0.00 H new ATOM 0 HB2 TYR B 91 4.965 15.743 -5.857 1.00 0.00 H new ATOM 0 HB3 TYR B 91 6.117 16.684 -6.783 1.00 0.00 H new ATOM 0 HD1 TYR B 91 2.609 16.463 -5.688 1.00 0.00 H new ATOM 0 HD2 TYR B 91 5.461 18.794 -7.828 1.00 0.00 H new ATOM 0 HE1 TYR B 91 1.075 18.376 -5.641 1.00 0.00 H new ATOM 0 HE2 TYR B 91 3.924 20.712 -7.785 1.00 0.00 H new ATOM 0 HH TYR B 91 0.648 20.431 -6.930 1.00 0.00 H new ATOM 1437 N GLY B 92 5.400 12.982 -8.071 1.00 0.00 N ATOM 1438 CA GLY B 92 6.221 11.811 -7.836 1.00 0.00 C ATOM 1439 C GLY B 92 6.375 11.546 -6.354 1.00 0.00 C ATOM 1440 O GLY B 92 7.298 10.858 -5.919 1.00 0.00 O ATOM 0 H GLY B 92 4.461 12.788 -8.420 1.00 0.00 H new ATOM 0 HA2 GLY B 92 5.771 10.944 -8.319 1.00 0.00 H new ATOM 0 HA3 GLY B 92 7.203 11.954 -8.288 1.00 0.00 H new ATOM 1444 N HIS B 93 5.469 12.127 -5.581 1.00 0.00 N ATOM 1445 CA HIS B 93 5.459 11.959 -4.138 1.00 0.00 C ATOM 1446 C HIS B 93 5.030 10.535 -3.817 1.00 0.00 C ATOM 1447 O HIS B 93 3.937 10.119 -4.200 1.00 0.00 O ATOM 1448 CB HIS B 93 4.484 12.962 -3.520 1.00 0.00 C ATOM 1449 CG HIS B 93 4.818 13.393 -2.128 1.00 0.00 C ATOM 1450 ND1 HIS B 93 4.246 12.841 -1.002 1.00 0.00 N ATOM 1451 CD2 HIS B 93 5.635 14.375 -1.684 1.00 0.00 C ATOM 1452 CE1 HIS B 93 4.691 13.470 0.066 1.00 0.00 C ATOM 1453 NE2 HIS B 93 5.533 14.401 -0.321 1.00 0.00 N ATOM 0 H HIS B 93 4.723 12.726 -5.936 1.00 0.00 H new ATOM 0 HA HIS B 93 6.452 12.138 -3.726 1.00 0.00 H new ATOM 0 HB2 HIS B 93 4.442 13.845 -4.157 1.00 0.00 H new ATOM 0 HB3 HIS B 93 3.487 12.523 -3.519 1.00 0.00 H new ATOM 0 HD2 HIS B 93 6.253 15.019 -2.293 1.00 0.00 H new ATOM 0 HE1 HIS B 93 4.411 13.257 1.087 1.00 0.00 H new ATOM 0 HE2 HIS B 93 6.031 15.041 0.297 1.00 0.00 H new ATOM 1462 N GLN B 94 5.887 9.790 -3.141 1.00 0.00 N ATOM 1463 CA GLN B 94 5.617 8.384 -2.883 1.00 0.00 C ATOM 1464 C GLN B 94 5.486 8.114 -1.395 1.00 0.00 C ATOM 1465 O GLN B 94 6.425 8.340 -0.627 1.00 0.00 O ATOM 1466 CB GLN B 94 6.743 7.512 -3.442 1.00 0.00 C ATOM 1467 CG GLN B 94 7.042 7.748 -4.909 1.00 0.00 C ATOM 1468 CD GLN B 94 8.207 6.910 -5.397 1.00 0.00 C ATOM 1469 OE1 GLN B 94 9.362 7.335 -5.327 1.00 0.00 O ATOM 1470 NE2 GLN B 94 7.916 5.716 -5.884 1.00 0.00 N ATOM 0 H GLN B 94 6.771 10.131 -2.762 1.00 0.00 H new ATOM 0 HA GLN B 94 4.676 8.138 -3.376 1.00 0.00 H new ATOM 0 HB2 GLN B 94 7.649 7.694 -2.864 1.00 0.00 H new ATOM 0 HB3 GLN B 94 6.480 6.464 -3.300 1.00 0.00 H new ATOM 0 HG2 GLN B 94 6.156 7.516 -5.501 1.00 0.00 H new ATOM 0 HG3 GLN B 94 7.264 8.803 -5.068 1.00 0.00 H new ATOM 0 HE21 GLN B 94 6.946 5.404 -5.923 1.00 0.00 H new ATOM 0 HE22 GLN B 94 8.662 5.107 -6.220 1.00 0.00 H new ATOM 1479 N GLU B 95 4.330 7.614 -0.999 1.00 0.00 N ATOM 1480 CA GLU B 95 4.116 7.167 0.366 1.00 0.00 C ATOM 1481 C GLU B 95 3.968 5.656 0.391 1.00 0.00 C ATOM 1482 O GLU B 95 3.023 5.108 -0.174 1.00 0.00 O ATOM 1483 CB GLU B 95 2.873 7.820 0.974 1.00 0.00 C ATOM 1484 CG GLU B 95 3.133 9.145 1.673 1.00 0.00 C ATOM 1485 CD GLU B 95 3.645 10.227 0.753 1.00 0.00 C ATOM 1486 OE1 GLU B 95 2.842 10.789 -0.023 1.00 0.00 O ATOM 1487 OE2 GLU B 95 4.850 10.548 0.828 1.00 0.00 O ATOM 0 H GLU B 95 3.519 7.507 -1.608 1.00 0.00 H new ATOM 0 HA GLU B 95 4.980 7.462 0.962 1.00 0.00 H new ATOM 0 HB2 GLU B 95 2.139 7.979 0.184 1.00 0.00 H new ATOM 0 HB3 GLU B 95 2.428 7.128 1.689 1.00 0.00 H new ATOM 0 HG2 GLU B 95 2.210 9.486 2.141 1.00 0.00 H new ATOM 0 HG3 GLU B 95 3.857 8.988 2.473 1.00 0.00 H new ATOM 1494 N VAL B 96 4.912 4.983 1.022 1.00 0.00 N ATOM 1495 CA VAL B 96 4.868 3.536 1.112 1.00 0.00 C ATOM 1496 C VAL B 96 4.326 3.107 2.468 1.00 0.00 C ATOM 1497 O VAL B 96 5.010 3.217 3.486 1.00 0.00 O ATOM 1498 CB VAL B 96 6.263 2.914 0.891 1.00 0.00 C ATOM 1499 CG1 VAL B 96 6.201 1.394 0.956 1.00 0.00 C ATOM 1500 CG2 VAL B 96 6.846 3.374 -0.437 1.00 0.00 C ATOM 0 H VAL B 96 5.716 5.414 1.478 1.00 0.00 H new ATOM 0 HA VAL B 96 4.205 3.177 0.325 1.00 0.00 H new ATOM 0 HB VAL B 96 6.918 3.256 1.692 1.00 0.00 H new ATOM 0 HG11 VAL B 96 7.198 0.982 0.797 1.00 0.00 H new ATOM 0 HG12 VAL B 96 5.833 1.086 1.935 1.00 0.00 H new ATOM 0 HG13 VAL B 96 5.528 1.024 0.183 1.00 0.00 H new ATOM 0 HG21 VAL B 96 7.830 2.926 -0.577 1.00 0.00 H new ATOM 0 HG22 VAL B 96 6.188 3.066 -1.249 1.00 0.00 H new ATOM 0 HG23 VAL B 96 6.938 4.460 -0.437 1.00 0.00 H new ATOM 1510 N THR B 97 3.096 2.629 2.471 1.00 0.00 N ATOM 1511 CA THR B 97 2.464 2.152 3.683 1.00 0.00 C ATOM 1512 C THR B 97 2.623 0.640 3.785 1.00 0.00 C ATOM 1513 O THR B 97 2.035 -0.113 3.006 1.00 0.00 O ATOM 1514 CB THR B 97 0.973 2.530 3.706 1.00 0.00 C ATOM 1515 OG1 THR B 97 0.825 3.919 3.387 1.00 0.00 O ATOM 1516 CG2 THR B 97 0.365 2.257 5.072 1.00 0.00 C ATOM 0 H THR B 97 2.511 2.561 1.638 1.00 0.00 H new ATOM 0 HA THR B 97 2.949 2.624 4.538 1.00 0.00 H new ATOM 0 HB THR B 97 0.452 1.922 2.967 1.00 0.00 H new ATOM 0 HG1 THR B 97 0.390 4.382 4.134 1.00 0.00 H new ATOM 0 HG21 THR B 97 -0.690 2.532 5.063 1.00 0.00 H new ATOM 0 HG22 THR B 97 0.461 1.197 5.308 1.00 0.00 H new ATOM 0 HG23 THR B 97 0.887 2.845 5.827 1.00 0.00 H new ATOM 1524 N ARG B 98 3.440 0.202 4.728 1.00 0.00 N ATOM 1525 CA ARG B 98 3.742 -1.210 4.874 1.00 0.00 C ATOM 1526 C ARG B 98 2.788 -1.856 5.867 1.00 0.00 C ATOM 1527 O ARG B 98 2.484 -1.286 6.916 1.00 0.00 O ATOM 1528 CB ARG B 98 5.190 -1.395 5.324 1.00 0.00 C ATOM 1529 CG ARG B 98 6.189 -0.685 4.425 1.00 0.00 C ATOM 1530 CD ARG B 98 7.620 -0.949 4.855 1.00 0.00 C ATOM 1531 NE ARG B 98 8.577 -0.211 4.032 1.00 0.00 N ATOM 1532 CZ ARG B 98 9.473 -0.783 3.228 1.00 0.00 C ATOM 1533 NH1 ARG B 98 9.511 -2.106 3.094 1.00 0.00 N ATOM 1534 NH2 ARG B 98 10.323 -0.031 2.543 1.00 0.00 N ATOM 0 H ARG B 98 3.906 0.806 5.405 1.00 0.00 H new ATOM 0 HA ARG B 98 3.613 -1.697 3.908 1.00 0.00 H new ATOM 0 HB2 ARG B 98 5.298 -1.022 6.343 1.00 0.00 H new ATOM 0 HB3 ARG B 98 5.424 -2.459 5.347 1.00 0.00 H new ATOM 0 HG2 ARG B 98 6.052 -1.017 3.396 1.00 0.00 H new ATOM 0 HG3 ARG B 98 5.996 0.388 4.443 1.00 0.00 H new ATOM 0 HD2 ARG B 98 7.744 -0.665 5.900 1.00 0.00 H new ATOM 0 HD3 ARG B 98 7.829 -2.017 4.787 1.00 0.00 H new ATOM 0 HE ARG B 98 8.558 0.808 4.076 1.00 0.00 H new ATOM 0 HH11 ARG B 98 8.852 -2.690 3.608 1.00 0.00 H new ATOM 0 HH12 ARG B 98 10.200 -2.537 2.477 1.00 0.00 H new ATOM 0 HH21 ARG B 98 10.291 0.985 2.631 1.00 0.00 H new ATOM 0 HH22 ARG B 98 11.009 -0.468 1.928 1.00 0.00 H new ATOM 1548 N PHE B 99 2.315 -3.041 5.522 1.00 0.00 N ATOM 1549 CA PHE B 99 1.356 -3.759 6.346 1.00 0.00 C ATOM 1550 C PHE B 99 1.509 -5.257 6.126 1.00 0.00 C ATOM 1551 O PHE B 99 2.401 -5.694 5.394 1.00 0.00 O ATOM 1552 CB PHE B 99 -0.077 -3.311 6.017 1.00 0.00 C ATOM 1553 CG PHE B 99 -0.515 -3.598 4.604 1.00 0.00 C ATOM 1554 CD1 PHE B 99 -1.328 -4.686 4.326 1.00 0.00 C ATOM 1555 CD2 PHE B 99 -0.120 -2.778 3.558 1.00 0.00 C ATOM 1556 CE1 PHE B 99 -1.739 -4.950 3.033 1.00 0.00 C ATOM 1557 CE2 PHE B 99 -0.527 -3.038 2.265 1.00 0.00 C ATOM 1558 CZ PHE B 99 -1.337 -4.125 2.002 1.00 0.00 C ATOM 0 H PHE B 99 2.582 -3.531 4.668 1.00 0.00 H new ATOM 0 HA PHE B 99 1.551 -3.533 7.394 1.00 0.00 H new ATOM 0 HB2 PHE B 99 -0.765 -3.804 6.704 1.00 0.00 H new ATOM 0 HB3 PHE B 99 -0.159 -2.239 6.198 1.00 0.00 H new ATOM 0 HD1 PHE B 99 -1.644 -5.335 5.129 1.00 0.00 H new ATOM 0 HD2 PHE B 99 0.513 -1.926 3.757 1.00 0.00 H new ATOM 0 HE1 PHE B 99 -2.373 -5.800 2.830 1.00 0.00 H new ATOM 0 HE2 PHE B 99 -0.212 -2.392 1.459 1.00 0.00 H new ATOM 0 HZ PHE B 99 -1.656 -4.329 0.991 1.00 0.00 H new ATOM 1568 N ASP B 100 0.662 -6.040 6.772 1.00 0.00 N ATOM 1569 CA ASP B 100 0.656 -7.479 6.574 1.00 0.00 C ATOM 1570 C ASP B 100 -0.776 -7.974 6.574 1.00 0.00 C ATOM 1571 O ASP B 100 -1.672 -7.291 7.077 1.00 0.00 O ATOM 1572 CB ASP B 100 1.465 -8.205 7.658 1.00 0.00 C ATOM 1573 CG ASP B 100 0.753 -8.272 8.998 1.00 0.00 C ATOM 1574 OD1 ASP B 100 1.016 -7.409 9.863 1.00 0.00 O ATOM 1575 OD2 ASP B 100 -0.050 -9.207 9.206 1.00 0.00 O ATOM 0 H ASP B 100 -0.032 -5.702 7.439 1.00 0.00 H new ATOM 0 HA ASP B 100 1.127 -7.696 5.615 1.00 0.00 H new ATOM 0 HB2 ASP B 100 1.684 -9.218 7.320 1.00 0.00 H new ATOM 0 HB3 ASP B 100 2.421 -7.698 7.788 1.00 0.00 H new ATOM 1580 N PHE B 101 -0.998 -9.144 6.007 1.00 0.00 N ATOM 1581 CA PHE B 101 -2.332 -9.705 5.947 1.00 0.00 C ATOM 1582 C PHE B 101 -2.279 -11.217 5.848 1.00 0.00 C ATOM 1583 O PHE B 101 -1.338 -11.783 5.296 1.00 0.00 O ATOM 1584 CB PHE B 101 -3.127 -9.112 4.775 1.00 0.00 C ATOM 1585 CG PHE B 101 -2.514 -9.324 3.416 1.00 0.00 C ATOM 1586 CD1 PHE B 101 -1.513 -8.485 2.952 1.00 0.00 C ATOM 1587 CD2 PHE B 101 -2.953 -10.352 2.596 1.00 0.00 C ATOM 1588 CE1 PHE B 101 -0.962 -8.666 1.699 1.00 0.00 C ATOM 1589 CE2 PHE B 101 -2.403 -10.539 1.343 1.00 0.00 C ATOM 1590 CZ PHE B 101 -1.408 -9.695 0.894 1.00 0.00 C ATOM 0 H PHE B 101 -0.273 -9.723 5.583 1.00 0.00 H new ATOM 0 HA PHE B 101 -2.846 -9.442 6.871 1.00 0.00 H new ATOM 0 HB2 PHE B 101 -4.127 -9.546 4.777 1.00 0.00 H new ATOM 0 HB3 PHE B 101 -3.244 -8.041 4.941 1.00 0.00 H new ATOM 0 HD1 PHE B 101 -1.160 -7.679 3.579 1.00 0.00 H new ATOM 0 HD2 PHE B 101 -3.734 -11.014 2.941 1.00 0.00 H new ATOM 0 HE1 PHE B 101 -0.184 -8.004 1.349 1.00 0.00 H new ATOM 0 HE2 PHE B 101 -2.752 -11.345 0.715 1.00 0.00 H new ATOM 0 HZ PHE B 101 -0.979 -9.839 -0.086 1.00 0.00 H new ATOM 1600 N THR B 102 -3.287 -11.864 6.394 1.00 0.00 N ATOM 1601 CA THR B 102 -3.350 -13.308 6.392 1.00 0.00 C ATOM 1602 C THR B 102 -4.688 -13.783 5.843 1.00 0.00 C ATOM 1603 O THR B 102 -5.744 -13.233 6.172 1.00 0.00 O ATOM 1604 CB THR B 102 -3.123 -13.880 7.811 1.00 0.00 C ATOM 1605 OG1 THR B 102 -3.256 -15.308 7.804 1.00 0.00 O ATOM 1606 CG2 THR B 102 -4.099 -13.282 8.816 1.00 0.00 C ATOM 0 H THR B 102 -4.079 -11.408 6.848 1.00 0.00 H new ATOM 0 HA THR B 102 -2.553 -13.675 5.746 1.00 0.00 H new ATOM 0 HB THR B 102 -2.111 -13.612 8.113 1.00 0.00 H new ATOM 0 HG1 THR B 102 -4.056 -15.564 8.308 1.00 0.00 H new ATOM 0 HG21 THR B 102 -3.911 -13.706 9.802 1.00 0.00 H new ATOM 0 HG22 THR B 102 -3.965 -12.201 8.854 1.00 0.00 H new ATOM 0 HG23 THR B 102 -5.120 -13.510 8.511 1.00 0.00 H new ATOM 1614 N THR B 103 -4.637 -14.778 4.979 1.00 0.00 N ATOM 1615 CA THR B 103 -5.841 -15.400 4.472 1.00 0.00 C ATOM 1616 C THR B 103 -6.089 -16.691 5.244 1.00 0.00 C ATOM 1617 O THR B 103 -5.897 -17.792 4.729 1.00 0.00 O ATOM 1618 CB THR B 103 -5.723 -15.691 2.962 1.00 0.00 C ATOM 1619 OG1 THR B 103 -5.239 -14.521 2.290 1.00 0.00 O ATOM 1620 CG2 THR B 103 -7.069 -16.089 2.371 1.00 0.00 C ATOM 0 H THR B 103 -3.771 -15.173 4.613 1.00 0.00 H new ATOM 0 HA THR B 103 -6.680 -14.718 4.610 1.00 0.00 H new ATOM 0 HB THR B 103 -5.029 -16.520 2.826 1.00 0.00 H new ATOM 0 HG1 THR B 103 -5.591 -14.500 1.376 1.00 0.00 H new ATOM 0 HG21 THR B 103 -6.954 -16.288 1.305 1.00 0.00 H new ATOM 0 HG22 THR B 103 -7.435 -16.986 2.870 1.00 0.00 H new ATOM 0 HG23 THR B 103 -7.783 -15.278 2.514 1.00 0.00 H new ATOM 1628 N THR B 104 -6.500 -16.545 6.498 1.00 0.00 N ATOM 1629 CA THR B 104 -6.662 -17.680 7.394 1.00 0.00 C ATOM 1630 C THR B 104 -7.994 -18.390 7.144 1.00 0.00 C ATOM 1631 O THR B 104 -8.724 -18.739 8.073 1.00 0.00 O ATOM 1632 CB THR B 104 -6.579 -17.222 8.865 1.00 0.00 C ATOM 1633 OG1 THR B 104 -5.587 -16.192 8.995 1.00 0.00 O ATOM 1634 CG2 THR B 104 -6.215 -18.384 9.779 1.00 0.00 C ATOM 0 H THR B 104 -6.728 -15.644 6.918 1.00 0.00 H new ATOM 0 HA THR B 104 -5.853 -18.383 7.194 1.00 0.00 H new ATOM 0 HB THR B 104 -7.557 -16.840 9.158 1.00 0.00 H new ATOM 0 HG1 THR B 104 -5.537 -15.902 9.930 1.00 0.00 H new ATOM 0 HG21 THR B 104 -6.163 -18.034 10.810 1.00 0.00 H new ATOM 0 HG22 THR B 104 -6.974 -19.162 9.698 1.00 0.00 H new ATOM 0 HG23 THR B 104 -5.247 -18.789 9.484 1.00 0.00 H new ATOM 1642 N SER B 105 -8.302 -18.602 5.877 1.00 0.00 N ATOM 1643 CA SER B 105 -9.517 -19.287 5.490 1.00 0.00 C ATOM 1644 C SER B 105 -9.295 -20.793 5.498 1.00 0.00 C ATOM 1645 O SER B 105 -9.232 -21.435 4.449 1.00 0.00 O ATOM 1646 CB SER B 105 -9.958 -18.810 4.110 1.00 0.00 C ATOM 1647 OG SER B 105 -10.095 -17.398 4.097 1.00 0.00 O ATOM 0 H SER B 105 -7.720 -18.305 5.094 1.00 0.00 H new ATOM 0 HA SER B 105 -10.306 -19.057 6.206 1.00 0.00 H new ATOM 0 HB2 SER B 105 -9.228 -19.118 3.361 1.00 0.00 H new ATOM 0 HB3 SER B 105 -10.906 -19.277 3.842 1.00 0.00 H new ATOM 0 HG SER B 105 -9.930 -17.062 3.191 1.00 0.00 H new ATOM 1653 N THR B 106 -9.164 -21.348 6.692 1.00 0.00 N ATOM 1654 CA THR B 106 -8.908 -22.766 6.856 1.00 0.00 C ATOM 1655 C THR B 106 -10.195 -23.572 6.723 1.00 0.00 C ATOM 1656 O THR B 106 -10.693 -24.141 7.694 1.00 0.00 O ATOM 1657 CB THR B 106 -8.251 -23.042 8.221 1.00 0.00 C ATOM 1658 OG1 THR B 106 -9.021 -22.426 9.266 1.00 0.00 O ATOM 1659 CG2 THR B 106 -6.827 -22.508 8.256 1.00 0.00 C ATOM 0 H THR B 106 -9.232 -20.830 7.568 1.00 0.00 H new ATOM 0 HA THR B 106 -8.224 -23.077 6.066 1.00 0.00 H new ATOM 0 HB THR B 106 -8.221 -24.121 8.374 1.00 0.00 H new ATOM 0 HG1 THR B 106 -9.917 -22.823 9.290 1.00 0.00 H new ATOM 0 HG21 THR B 106 -6.385 -22.715 9.230 1.00 0.00 H new ATOM 0 HG22 THR B 106 -6.237 -22.994 7.479 1.00 0.00 H new ATOM 0 HG23 THR B 106 -6.838 -21.432 8.084 1.00 0.00 H new ATOM 1667 N SER B 107 -10.733 -23.610 5.514 1.00 0.00 N ATOM 1668 CA SER B 107 -11.970 -24.320 5.248 1.00 0.00 C ATOM 1669 C SER B 107 -11.664 -25.641 4.542 1.00 0.00 C ATOM 1670 O SER B 107 -12.564 -26.349 4.084 1.00 0.00 O ATOM 1671 CB SER B 107 -12.899 -23.447 4.398 1.00 0.00 C ATOM 1672 OG SER B 107 -14.239 -23.907 4.459 1.00 0.00 O ATOM 0 H SER B 107 -10.327 -23.153 4.697 1.00 0.00 H new ATOM 0 HA SER B 107 -12.474 -24.540 6.189 1.00 0.00 H new ATOM 0 HB2 SER B 107 -12.851 -22.415 4.746 1.00 0.00 H new ATOM 0 HB3 SER B 107 -12.558 -23.451 3.363 1.00 0.00 H new ATOM 0 HG SER B 107 -14.258 -24.878 4.330 1.00 0.00 H new ATOM 1678 N THR B 108 -10.375 -25.959 4.460 1.00 0.00 N ATOM 1679 CA THR B 108 -9.918 -27.210 3.873 1.00 0.00 C ATOM 1680 C THR B 108 -10.592 -28.428 4.528 1.00 0.00 C ATOM 1681 O THR B 108 -11.158 -29.262 3.823 1.00 0.00 O ATOM 1682 CB THR B 108 -8.386 -27.342 3.986 1.00 0.00 C ATOM 1683 OG1 THR B 108 -7.760 -26.136 3.529 1.00 0.00 O ATOM 1684 CG2 THR B 108 -7.878 -28.519 3.171 1.00 0.00 C ATOM 0 H THR B 108 -9.623 -25.358 4.798 1.00 0.00 H new ATOM 0 HA THR B 108 -10.200 -27.189 2.820 1.00 0.00 H new ATOM 0 HB THR B 108 -8.135 -27.513 5.033 1.00 0.00 H new ATOM 0 HG1 THR B 108 -6.787 -26.224 3.604 1.00 0.00 H new ATOM 0 HG21 THR B 108 -6.795 -28.589 3.269 1.00 0.00 H new ATOM 0 HG22 THR B 108 -8.335 -29.439 3.536 1.00 0.00 H new ATOM 0 HG23 THR B 108 -8.139 -28.375 2.123 1.00 0.00 H new ATOM 1692 N PRO B 109 -10.570 -28.545 5.881 1.00 0.00 N ATOM 1693 CA PRO B 109 -11.225 -29.659 6.587 1.00 0.00 C ATOM 1694 C PRO B 109 -12.751 -29.654 6.445 1.00 0.00 C ATOM 1695 O PRO B 109 -13.434 -30.507 7.013 1.00 0.00 O ATOM 1696 CB PRO B 109 -10.830 -29.449 8.054 1.00 0.00 C ATOM 1697 CG PRO B 109 -10.477 -28.008 8.155 1.00 0.00 C ATOM 1698 CD PRO B 109 -9.884 -27.639 6.829 1.00 0.00 C ATOM 0 HA PRO B 109 -10.911 -30.618 6.176 1.00 0.00 H new ATOM 0 HB2 PRO B 109 -11.652 -29.702 8.724 1.00 0.00 H new ATOM 0 HB3 PRO B 109 -9.987 -30.082 8.330 1.00 0.00 H new ATOM 0 HG2 PRO B 109 -11.358 -27.404 8.371 1.00 0.00 H new ATOM 0 HG3 PRO B 109 -9.766 -27.835 8.963 1.00 0.00 H new ATOM 0 HD2 PRO B 109 -10.064 -26.592 6.586 1.00 0.00 H new ATOM 0 HD3 PRO B 109 -8.804 -27.788 6.817 1.00 0.00 H new ATOM 1706 N GLY B 110 -13.282 -28.702 5.685 1.00 0.00 N ATOM 1707 CA GLY B 110 -14.713 -28.647 5.451 1.00 0.00 C ATOM 1708 C GLY B 110 -15.198 -29.805 4.598 1.00 0.00 C ATOM 1709 O GLY B 110 -16.378 -30.158 4.625 1.00 0.00 O ATOM 0 H GLY B 110 -12.745 -27.966 5.226 1.00 0.00 H new ATOM 0 HA2 GLY B 110 -15.237 -28.657 6.407 1.00 0.00 H new ATOM 0 HA3 GLY B 110 -14.964 -27.706 4.961 1.00 0.00 H new ATOM 1713 N SER B 111 -14.285 -30.403 3.846 1.00 0.00 N ATOM 1714 CA SER B 111 -14.613 -31.538 2.997 1.00 0.00 C ATOM 1715 C SER B 111 -13.932 -32.801 3.532 1.00 0.00 C ATOM 1716 O SER B 111 -13.708 -33.770 2.805 1.00 0.00 O ATOM 1717 CB SER B 111 -14.177 -31.251 1.553 1.00 0.00 C ATOM 1718 OG SER B 111 -14.672 -32.224 0.648 1.00 0.00 O ATOM 0 H SER B 111 -13.306 -30.119 3.807 1.00 0.00 H new ATOM 0 HA SER B 111 -15.691 -31.699 3.006 1.00 0.00 H new ATOM 0 HB2 SER B 111 -14.533 -30.264 1.256 1.00 0.00 H new ATOM 0 HB3 SER B 111 -13.089 -31.227 1.500 1.00 0.00 H new ATOM 0 HG SER B 111 -14.610 -33.112 1.057 1.00 0.00 H new ATOM 1724 N ARG B 112 -13.603 -32.777 4.819 1.00 0.00 N ATOM 1725 CA ARG B 112 -12.941 -33.903 5.465 1.00 0.00 C ATOM 1726 C ARG B 112 -13.945 -35.010 5.754 1.00 0.00 C ATOM 1727 O ARG B 112 -13.826 -36.127 5.246 1.00 0.00 O ATOM 1728 CB ARG B 112 -12.276 -33.441 6.763 1.00 0.00 C ATOM 1729 CG ARG B 112 -11.540 -34.540 7.508 1.00 0.00 C ATOM 1730 CD ARG B 112 -10.948 -34.015 8.804 1.00 0.00 C ATOM 1731 NE ARG B 112 -10.167 -35.030 9.506 1.00 0.00 N ATOM 1732 CZ ARG B 112 -9.060 -34.767 10.199 1.00 0.00 C ATOM 1733 NH1 ARG B 112 -8.611 -33.521 10.297 1.00 0.00 N ATOM 1734 NH2 ARG B 112 -8.405 -35.751 10.796 1.00 0.00 N ATOM 0 H ARG B 112 -13.785 -31.986 5.437 1.00 0.00 H new ATOM 0 HA ARG B 112 -12.176 -34.294 4.795 1.00 0.00 H new ATOM 0 HB2 ARG B 112 -11.574 -32.639 6.534 1.00 0.00 H new ATOM 0 HB3 ARG B 112 -13.038 -33.020 7.419 1.00 0.00 H new ATOM 0 HG2 ARG B 112 -12.225 -35.361 7.723 1.00 0.00 H new ATOM 0 HG3 ARG B 112 -10.747 -34.943 6.878 1.00 0.00 H new ATOM 0 HD2 ARG B 112 -10.313 -33.155 8.589 1.00 0.00 H new ATOM 0 HD3 ARG B 112 -11.751 -33.664 9.452 1.00 0.00 H new ATOM 0 HE ARG B 112 -10.488 -35.997 9.463 1.00 0.00 H new ATOM 0 HH11 ARG B 112 -9.114 -32.760 9.841 1.00 0.00 H new ATOM 0 HH12 ARG B 112 -7.763 -33.325 10.829 1.00 0.00 H new ATOM 0 HH21 ARG B 112 -8.748 -36.709 10.725 1.00 0.00 H new ATOM 0 HH22 ARG B 112 -7.557 -35.551 11.327 1.00 0.00 H new ATOM 1748 N SER B 113 -14.940 -34.684 6.560 1.00 0.00 N ATOM 1749 CA SER B 113 -15.984 -35.627 6.908 1.00 0.00 C ATOM 1750 C SER B 113 -17.150 -35.479 5.939 1.00 0.00 C ATOM 1751 O SER B 113 -17.670 -34.381 5.747 1.00 0.00 O ATOM 1752 CB SER B 113 -16.449 -35.381 8.344 1.00 0.00 C ATOM 1753 OG SER B 113 -15.346 -35.373 9.240 1.00 0.00 O ATOM 0 H SER B 113 -15.046 -33.764 6.988 1.00 0.00 H new ATOM 0 HA SER B 113 -15.594 -36.642 6.838 1.00 0.00 H new ATOM 0 HB2 SER B 113 -16.976 -34.429 8.402 1.00 0.00 H new ATOM 0 HB3 SER B 113 -17.157 -36.156 8.639 1.00 0.00 H new ATOM 0 HG SER B 113 -15.667 -35.212 10.152 1.00 0.00 H new ATOM 1759 N HIS B 114 -17.551 -36.576 5.324 1.00 0.00 N ATOM 1760 CA HIS B 114 -18.624 -36.542 4.340 1.00 0.00 C ATOM 1761 C HIS B 114 -19.961 -36.888 4.981 1.00 0.00 C ATOM 1762 O HIS B 114 -20.973 -37.007 4.293 1.00 0.00 O ATOM 1763 CB HIS B 114 -18.325 -37.496 3.179 1.00 0.00 C ATOM 1764 CG HIS B 114 -17.177 -37.058 2.321 1.00 0.00 C ATOM 1765 ND1 HIS B 114 -17.341 -36.332 1.161 1.00 0.00 N ATOM 1766 CD2 HIS B 114 -15.842 -37.237 2.462 1.00 0.00 C ATOM 1767 CE1 HIS B 114 -16.161 -36.084 0.627 1.00 0.00 C ATOM 1768 NE2 HIS B 114 -15.234 -36.623 1.395 1.00 0.00 N ATOM 0 H HIS B 114 -17.153 -37.501 5.486 1.00 0.00 H new ATOM 0 HA HIS B 114 -18.687 -35.528 3.946 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -18.110 -38.487 3.580 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -19.216 -37.590 2.558 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -15.348 -37.765 3.264 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -15.984 -35.533 -0.285 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -14.229 -36.589 1.224 1.00 0.00 H new ATOM 1777 N HIS B 115 -19.957 -37.050 6.300 1.00 0.00 N ATOM 1778 CA HIS B 115 -21.182 -37.339 7.034 1.00 0.00 C ATOM 1779 C HIS B 115 -22.141 -36.152 6.967 1.00 0.00 C ATOM 1780 O HIS B 115 -23.349 -36.335 6.823 1.00 0.00 O ATOM 1781 CB HIS B 115 -20.872 -37.695 8.491 1.00 0.00 C ATOM 1782 CG HIS B 115 -22.079 -38.103 9.283 1.00 0.00 C ATOM 1783 ND1 HIS B 115 -22.342 -37.632 10.548 1.00 0.00 N ATOM 1784 CD2 HIS B 115 -23.089 -38.954 8.984 1.00 0.00 C ATOM 1785 CE1 HIS B 115 -23.457 -38.176 10.994 1.00 0.00 C ATOM 1786 NE2 HIS B 115 -23.934 -38.981 10.065 1.00 0.00 N ATOM 0 H HIS B 115 -19.121 -36.986 6.881 1.00 0.00 H new ATOM 0 HA HIS B 115 -21.663 -38.199 6.567 1.00 0.00 H new ATOM 0 HB2 HIS B 115 -20.145 -38.507 8.510 1.00 0.00 H new ATOM 0 HB3 HIS B 115 -20.405 -36.837 8.974 1.00 0.00 H new ATOM 0 HD2 HIS B 115 -23.208 -39.509 8.065 1.00 0.00 H new ATOM 0 HE1 HIS B 115 -23.905 -37.993 11.959 1.00 0.00 H new ATOM 0 HE2 HIS B 115 -24.789 -39.532 10.138 1.00 0.00 H new ATOM 1795 N HIS B 116 -21.610 -34.941 7.085 1.00 0.00 N ATOM 1796 CA HIS B 116 -22.433 -33.751 6.912 1.00 0.00 C ATOM 1797 C HIS B 116 -22.604 -33.472 5.422 1.00 0.00 C ATOM 1798 O HIS B 116 -21.625 -33.266 4.702 1.00 0.00 O ATOM 1799 CB HIS B 116 -21.848 -32.526 7.648 1.00 0.00 C ATOM 1800 CG HIS B 116 -20.598 -31.946 7.048 1.00 0.00 C ATOM 1801 ND1 HIS B 116 -20.609 -30.855 6.206 1.00 0.00 N ATOM 1802 CD2 HIS B 116 -19.297 -32.298 7.181 1.00 0.00 C ATOM 1803 CE1 HIS B 116 -19.374 -30.562 5.847 1.00 0.00 C ATOM 1804 NE2 HIS B 116 -18.558 -31.422 6.425 1.00 0.00 N ATOM 0 H HIS B 116 -20.629 -34.758 7.296 1.00 0.00 H new ATOM 0 HA HIS B 116 -23.409 -33.938 7.360 1.00 0.00 H new ATOM 0 HB2 HIS B 116 -22.609 -31.747 7.682 1.00 0.00 H new ATOM 0 HB3 HIS B 116 -21.637 -32.810 8.679 1.00 0.00 H new ATOM 0 HD2 HIS B 116 -18.912 -33.116 7.772 1.00 0.00 H new ATOM 0 HE1 HIS B 116 -19.081 -29.755 5.191 1.00 0.00 H new ATOM 0 HE2 HIS B 116 -17.543 -31.434 6.326 1.00 0.00 H new ATOM 1813 N HIS B 117 -23.841 -33.507 4.956 1.00 0.00 N ATOM 1814 CA HIS B 117 -24.120 -33.324 3.541 1.00 0.00 C ATOM 1815 C HIS B 117 -25.550 -32.842 3.339 1.00 0.00 C ATOM 1816 O HIS B 117 -26.463 -33.255 4.057 1.00 0.00 O ATOM 1817 CB HIS B 117 -23.898 -34.641 2.785 1.00 0.00 C ATOM 1818 CG HIS B 117 -23.933 -34.502 1.292 1.00 0.00 C ATOM 1819 ND1 HIS B 117 -25.013 -34.881 0.522 1.00 0.00 N ATOM 1820 CD2 HIS B 117 -23.005 -34.032 0.425 1.00 0.00 C ATOM 1821 CE1 HIS B 117 -24.743 -34.651 -0.750 1.00 0.00 C ATOM 1822 NE2 HIS B 117 -23.534 -34.136 -0.837 1.00 0.00 N ATOM 0 H HIS B 117 -24.667 -33.660 5.535 1.00 0.00 H new ATOM 0 HA HIS B 117 -23.439 -32.570 3.148 1.00 0.00 H new ATOM 0 HB2 HIS B 117 -22.935 -35.058 3.078 1.00 0.00 H new ATOM 0 HB3 HIS B 117 -24.661 -35.356 3.091 1.00 0.00 H new ATOM 0 HD2 HIS B 117 -22.029 -33.646 0.680 1.00 0.00 H new ATOM 0 HE1 HIS B 117 -25.404 -34.852 -1.581 1.00 0.00 H new ATOM 0 HE2 HIS B 117 -23.067 -33.860 -1.701 1.00 0.00 H new ATOM 1831 N HIS B 118 -25.735 -31.968 2.366 1.00 0.00 N ATOM 1832 CA HIS B 118 -27.054 -31.459 2.027 1.00 0.00 C ATOM 1833 C HIS B 118 -27.257 -31.517 0.521 1.00 0.00 C ATOM 1834 O HIS B 118 -26.288 -31.578 -0.236 1.00 0.00 O ATOM 1835 CB HIS B 118 -27.233 -30.015 2.524 1.00 0.00 C ATOM 1836 CG HIS B 118 -26.298 -29.024 1.889 1.00 0.00 C ATOM 1837 ND1 HIS B 118 -26.567 -28.387 0.695 1.00 0.00 N ATOM 1838 CD2 HIS B 118 -25.092 -28.563 2.291 1.00 0.00 C ATOM 1839 CE1 HIS B 118 -25.566 -27.583 0.391 1.00 0.00 C ATOM 1840 NE2 HIS B 118 -24.660 -27.671 1.344 1.00 0.00 N ATOM 0 H HIS B 118 -24.981 -31.592 1.791 1.00 0.00 H new ATOM 0 HA HIS B 118 -27.799 -32.084 2.519 1.00 0.00 H new ATOM 0 HB2 HIS B 118 -28.260 -29.702 2.334 1.00 0.00 H new ATOM 0 HB3 HIS B 118 -27.088 -29.994 3.604 1.00 0.00 H new ATOM 0 HD1 HIS B 118 -27.409 -28.517 0.134 1.00 0.00 H new ATOM 0 HD2 HIS B 118 -24.567 -28.845 3.191 1.00 0.00 H new ATOM 0 HE1 HIS B 118 -25.500 -26.959 -0.488 1.00 0.00 H new ATOM 1849 N HIS B 119 -28.506 -31.502 0.092 1.00 0.00 N ATOM 1850 CA HIS B 119 -28.811 -31.483 -1.328 1.00 0.00 C ATOM 1851 C HIS B 119 -29.102 -30.052 -1.768 1.00 0.00 C ATOM 1852 O HIS B 119 -28.139 -29.267 -1.905 1.00 0.00 O ATOM 1853 CB HIS B 119 -30.002 -32.397 -1.636 1.00 0.00 C ATOM 1854 CG HIS B 119 -30.257 -32.586 -3.103 1.00 0.00 C ATOM 1855 ND1 HIS B 119 -29.551 -33.477 -3.879 1.00 0.00 N ATOM 1856 CD2 HIS B 119 -31.152 -31.996 -3.932 1.00 0.00 C ATOM 1857 CE1 HIS B 119 -29.996 -33.426 -5.120 1.00 0.00 C ATOM 1858 NE2 HIS B 119 -30.967 -32.536 -5.179 1.00 0.00 N ATOM 1859 OXT HIS B 119 -30.285 -29.708 -1.953 1.00 0.00 O ATOM 0 H HIS B 119 -29.323 -31.503 0.703 1.00 0.00 H new ATOM 0 HA HIS B 119 -27.950 -31.856 -1.882 1.00 0.00 H new ATOM 0 HB2 HIS B 119 -29.828 -33.371 -1.178 1.00 0.00 H new ATOM 0 HB3 HIS B 119 -30.896 -31.982 -1.172 1.00 0.00 H new ATOM 0 HD2 HIS B 119 -31.876 -31.241 -3.661 1.00 0.00 H new ATOM 0 HE1 HIS B 119 -29.627 -34.014 -5.948 1.00 0.00 H new ATOM 0 HE2 HIS B 119 -31.495 -32.289 -6.016 1.00 0.00 H new TER 1868 HIS B 119