USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 782 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 91 THR OG1 : rot 180:sc= 0.447 USER MOD Set 1.2: A 96 THR OG1 : rot 104:sc= 0.306 USER MOD Set 2.1: A 61 THR OG1 : rot 167:sc= -6.13! USER MOD Set 2.2: A 68 SER OG : rot 180:sc= -1.43! USER MOD Set 3.1: A 41 ASN : amide:sc= -0.572 X(o=-0.88,f=-1.1) USER MOD Set 3.2: A 43 THR OG1 : rot -60:sc= -0.304! USER MOD Set 4.1: A 35 TYR OH : rot -39:sc= -7.26! USER MOD Set 4.2: A 39 THR OG1 : rot 41:sc= 1.02 USER MOD Set 4.3: A 60 THR OG1 : rot 86:sc= 0.595 USER MOD Set 4.4: A 69 THR OG1 : rot 68:sc= 0.635 USER MOD Set 5.1: A 15 SER OG : rot 112:sc= 0.0289 USER MOD Set 5.2: A 77 GLN : amide:sc= -0.0317 X(o=-0.0028,f=0.094) USER MOD Single : A 1 SER N :NH3+ -177:sc= -0.229 (180deg=-0.262) USER MOD Single : A 1 SER OG : rot 180:sc= -0.616 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 71:sc= 1.25 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -2.23! X(o=-2.2!,f=-1.8) USER MOD Single : A 14 SER OG : rot 180:sc= -0.0164 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.392 X(o=-0.39,f=-0.37) USER MOD Single : A 25 THR OG1 : rot 73:sc= 0.845! USER MOD Single : A 27 GLN : amide:sc= -0.0451 X(o=-0.045,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -100:sc= -2.96! USER MOD Single : A 49 GLN : amide:sc=-0.00164 K(o=-0.0016,f=-0.96) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -150:sc= -6.61! USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0128 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.0494 X(o=-0.049,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.22 K(o=-0.22,f=-1.9!) USER MOD Single : A 71 SER OG : rot 71:sc= -2.5! USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.408 K(o=-0.41,f=-3.6!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.919 USER MOD Single : A 86 TYR OH : rot 74:sc= -2.86! USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.29 USER MOD Single : A 89 GLN : amide:sc= -1.43 K(o=-1.4,f=-0.56) USER MOD Single : A 92 TYR OH : rot 130:sc= -3.7! USER MOD Single : A 93 GLN : amide:sc= 0.308 K(o=0.31,f=-1.9!) USER MOD Single : A 95 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-0.39) USER MOD Single : A 100 SER OG : rot -107:sc= 0.0822 USER MOD Single : A 101 THR OG1 : rot -144:sc= -0.259! USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 43:sc= 0.709 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.318 26.976 -2.286 1.00 0.00 N ATOM 2 CA SER A 1 2.743 27.559 -1.088 1.00 0.00 C ATOM 3 C SER A 1 1.680 26.626 -0.507 1.00 0.00 C ATOM 4 O SER A 1 1.128 26.893 0.559 1.00 0.00 O ATOM 5 CB SER A 1 2.138 28.934 -1.382 1.00 0.00 C ATOM 6 OG SER A 1 0.880 28.832 -2.044 1.00 0.00 O ATOM 0 H1 SER A 1 4.074 27.594 -2.644 1.00 0.00 H new ATOM 0 H2 SER A 1 3.712 26.040 -2.062 1.00 0.00 H new ATOM 0 H3 SER A 1 2.580 26.876 -3.012 1.00 0.00 H new ATOM 0 HA SER A 1 3.540 27.689 -0.356 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.013 29.483 -0.448 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.828 29.509 -2.000 1.00 0.00 H new ATOM 0 HG SER A 1 0.525 29.730 -2.213 1.00 0.00 H new ATOM 13 N ARG A 2 1.425 25.547 -1.234 1.00 0.00 N ATOM 14 CA ARG A 2 0.439 24.571 -0.803 1.00 0.00 C ATOM 15 C ARG A 2 0.234 23.511 -1.888 1.00 0.00 C ATOM 16 O ARG A 2 -0.854 23.394 -2.451 1.00 0.00 O ATOM 17 CB ARG A 2 -0.903 25.242 -0.497 1.00 0.00 C ATOM 18 CG ARG A 2 -1.197 26.362 -1.498 1.00 0.00 C ATOM 19 CD ARG A 2 -2.680 26.736 -1.480 1.00 0.00 C ATOM 20 NE ARG A 2 -3.212 26.768 -2.861 1.00 0.00 N ATOM 21 CZ ARG A 2 -3.051 27.806 -3.709 1.00 0.00 C ATOM 22 NH1 ARG A 2 -2.372 28.908 -3.324 1.00 0.00 N ATOM 23 NH2 ARG A 2 -3.569 27.727 -4.922 1.00 0.00 N ATOM 0 H ARG A 2 1.884 25.328 -2.118 1.00 0.00 H new ATOM 0 HA ARG A 2 0.813 24.100 0.106 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -1.701 24.500 -0.531 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -0.888 25.648 0.514 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -0.594 27.238 -1.257 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -0.910 26.044 -2.500 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.238 26.014 -0.883 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -2.812 27.710 -1.008 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.732 25.956 -3.192 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -1.976 28.961 -2.386 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -2.255 29.687 -3.972 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -4.081 26.891 -5.205 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -3.457 28.502 -5.576 1.00 0.00 H new ATOM 37 N ASP A 3 1.297 22.763 -2.145 1.00 0.00 N ATOM 38 CA ASP A 3 1.249 21.715 -3.150 1.00 0.00 C ATOM 39 C ASP A 3 2.306 20.657 -2.830 1.00 0.00 C ATOM 40 O ASP A 3 3.030 20.777 -1.844 1.00 0.00 O ATOM 41 CB ASP A 3 1.547 22.274 -4.544 1.00 0.00 C ATOM 42 CG ASP A 3 0.911 21.501 -5.700 1.00 0.00 C ATOM 43 OD1 ASP A 3 1.594 21.113 -6.661 1.00 0.00 O ATOM 44 OD2 ASP A 3 -0.358 21.298 -5.589 1.00 0.00 O ATOM 0 H ASP A 3 2.197 22.862 -1.675 1.00 0.00 H new ATOM 0 HA ASP A 3 0.248 21.285 -3.140 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.204 23.308 -4.585 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.627 22.291 -4.689 1.00 0.00 H new ATOM 50 N PHE A 4 2.360 19.644 -3.682 1.00 0.00 N ATOM 51 CA PHE A 4 3.316 18.565 -3.502 1.00 0.00 C ATOM 52 C PHE A 4 2.759 17.488 -2.571 1.00 0.00 C ATOM 53 O PHE A 4 1.593 17.542 -2.181 1.00 0.00 O ATOM 54 CB PHE A 4 4.566 19.177 -2.865 1.00 0.00 C ATOM 55 CG PHE A 4 4.987 20.513 -3.480 1.00 0.00 C ATOM 56 CD1 PHE A 4 4.610 20.828 -4.747 1.00 0.00 C ATOM 57 CD2 PHE A 4 5.739 21.386 -2.757 1.00 0.00 C ATOM 58 CE1 PHE A 4 5.001 22.068 -5.318 1.00 0.00 C ATOM 59 CE2 PHE A 4 6.129 22.627 -3.327 1.00 0.00 C ATOM 60 CZ PHE A 4 5.752 22.942 -4.596 1.00 0.00 C ATOM 0 H PHE A 4 1.757 19.548 -4.499 1.00 0.00 H new ATOM 0 HA PHE A 4 3.535 18.098 -4.462 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.385 19.320 -1.800 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.391 18.471 -2.957 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.012 20.135 -5.320 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.039 21.136 -1.750 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.702 22.317 -6.325 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.725 23.321 -2.753 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.049 23.886 -5.029 1.00 0.00 H new ATOM 70 N THR A 5 3.617 16.534 -2.239 1.00 0.00 N ATOM 71 CA THR A 5 3.225 15.446 -1.361 1.00 0.00 C ATOM 72 C THR A 5 2.166 14.569 -2.036 1.00 0.00 C ATOM 73 O THR A 5 1.156 14.230 -1.424 1.00 0.00 O ATOM 74 CB THR A 5 2.756 16.053 -0.036 1.00 0.00 C ATOM 75 OG1 THR A 5 3.219 15.134 0.950 1.00 0.00 O ATOM 76 CG2 THR A 5 1.234 16.026 0.114 1.00 0.00 C ATOM 0 H THR A 5 4.583 16.493 -2.563 1.00 0.00 H new ATOM 0 HA THR A 5 4.066 14.784 -1.153 1.00 0.00 H new ATOM 0 HB THR A 5 3.109 17.082 0.037 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.959 15.451 1.840 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.955 16.468 1.070 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.778 16.596 -0.696 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.883 14.995 0.074 1.00 0.00 H new ATOM 84 N PRO A 6 2.443 14.223 -3.322 1.00 0.00 N ATOM 85 CA PRO A 6 1.527 13.393 -4.085 1.00 0.00 C ATOM 86 C PRO A 6 1.605 11.933 -3.636 1.00 0.00 C ATOM 87 O PRO A 6 2.615 11.266 -3.853 1.00 0.00 O ATOM 88 CB PRO A 6 1.935 13.592 -5.536 1.00 0.00 C ATOM 89 CG PRO A 6 3.347 14.152 -5.499 1.00 0.00 C ATOM 90 CD PRO A 6 3.630 14.607 -4.077 1.00 0.00 C ATOM 0 HA PRO A 6 0.483 13.670 -3.936 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.903 12.650 -6.083 1.00 0.00 H new ATOM 0 HB3 PRO A 6 1.256 14.278 -6.042 1.00 0.00 H new ATOM 0 HG2 PRO A 6 4.067 13.394 -5.808 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.445 14.986 -6.194 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.525 14.128 -3.679 1.00 0.00 H new ATOM 0 HD3 PRO A 6 3.797 15.683 -4.031 1.00 0.00 H new ATOM 98 N PRO A 7 0.495 11.466 -3.004 1.00 0.00 N ATOM 99 CA PRO A 7 0.428 10.095 -2.523 1.00 0.00 C ATOM 100 C PRO A 7 0.222 9.117 -3.682 1.00 0.00 C ATOM 101 O PRO A 7 -0.878 9.017 -4.225 1.00 0.00 O ATOM 102 CB PRO A 7 -0.717 10.085 -1.525 1.00 0.00 C ATOM 103 CG PRO A 7 -1.545 11.325 -1.826 1.00 0.00 C ATOM 104 CD PRO A 7 -0.721 12.226 -2.731 1.00 0.00 C ATOM 0 HA PRO A 7 1.354 9.769 -2.049 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.317 9.181 -1.628 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -0.343 10.104 -0.501 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -2.482 11.050 -2.311 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.804 11.844 -0.903 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.257 12.460 -3.651 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -0.494 13.175 -2.245 1.00 0.00 H new ATOM 112 N THR A 8 1.296 8.422 -4.025 1.00 0.00 N ATOM 113 CA THR A 8 1.246 7.456 -5.109 1.00 0.00 C ATOM 114 C THR A 8 1.799 6.106 -4.645 1.00 0.00 C ATOM 115 O THR A 8 2.970 6.003 -4.281 1.00 0.00 O ATOM 116 CB THR A 8 2.000 8.044 -6.302 1.00 0.00 C ATOM 117 OG1 THR A 8 2.620 9.216 -5.778 1.00 0.00 O ATOM 118 CG2 THR A 8 1.061 8.573 -7.387 1.00 0.00 C ATOM 0 H THR A 8 2.206 8.508 -3.572 1.00 0.00 H new ATOM 0 HA THR A 8 0.219 7.262 -5.420 1.00 0.00 H new ATOM 0 HB THR A 8 2.653 7.283 -6.728 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.351 8.959 -5.178 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.649 8.979 -8.210 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.435 7.760 -7.754 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.429 9.358 -6.971 1.00 0.00 H new ATOM 126 N VAL A 9 0.930 5.106 -4.674 1.00 0.00 N ATOM 127 CA VAL A 9 1.317 3.767 -4.263 1.00 0.00 C ATOM 128 C VAL A 9 0.872 2.762 -5.326 1.00 0.00 C ATOM 129 O VAL A 9 -0.161 2.946 -5.965 1.00 0.00 O ATOM 130 CB VAL A 9 0.748 3.462 -2.875 1.00 0.00 C ATOM 131 CG1 VAL A 9 -0.670 2.898 -2.977 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.664 2.509 -2.104 1.00 0.00 C ATOM 0 H VAL A 9 -0.040 5.196 -4.976 1.00 0.00 H new ATOM 0 HA VAL A 9 2.401 3.691 -4.180 1.00 0.00 H new ATOM 0 HB VAL A 9 0.697 4.399 -2.320 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.051 2.690 -1.977 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.316 3.625 -3.468 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.654 1.976 -3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.237 2.309 -1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.762 1.573 -2.655 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.647 2.965 -1.986 1.00 0.00 H new ATOM 142 N LYS A 10 1.675 1.719 -5.482 1.00 0.00 N ATOM 143 CA LYS A 10 1.376 0.685 -6.457 1.00 0.00 C ATOM 144 C LYS A 10 1.576 -0.688 -5.814 1.00 0.00 C ATOM 145 O LYS A 10 2.350 -0.830 -4.869 1.00 0.00 O ATOM 146 CB LYS A 10 2.200 0.893 -7.731 1.00 0.00 C ATOM 147 CG LYS A 10 1.568 1.961 -8.624 1.00 0.00 C ATOM 148 CD LYS A 10 0.164 1.542 -9.069 1.00 0.00 C ATOM 149 CE LYS A 10 -0.220 2.223 -10.385 1.00 0.00 C ATOM 150 NZ LYS A 10 -1.673 2.505 -10.417 1.00 0.00 N ATOM 0 H LYS A 10 2.532 1.569 -4.949 1.00 0.00 H new ATOM 0 HA LYS A 10 0.333 0.745 -6.767 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.215 1.189 -7.467 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.274 -0.047 -8.278 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.516 2.907 -8.085 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.196 2.127 -9.499 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.125 0.460 -9.191 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.559 1.802 -8.296 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.339 3.152 -10.498 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.051 1.584 -11.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.917 2.967 -11.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.202 1.614 -10.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.922 3.133 -9.626 1.00 0.00 H new ATOM 164 N ILE A 11 0.863 -1.667 -6.352 1.00 0.00 N ATOM 165 CA ILE A 11 0.952 -3.027 -5.843 1.00 0.00 C ATOM 166 C ILE A 11 1.520 -3.939 -6.931 1.00 0.00 C ATOM 167 O ILE A 11 0.929 -4.078 -8.000 1.00 0.00 O ATOM 168 CB ILE A 11 -0.403 -3.485 -5.301 1.00 0.00 C ATOM 169 CG1 ILE A 11 -0.287 -4.848 -4.617 1.00 0.00 C ATOM 170 CG2 ILE A 11 -1.463 -3.484 -6.405 1.00 0.00 C ATOM 171 CD1 ILE A 11 0.283 -4.707 -3.205 1.00 0.00 C ATOM 0 H ILE A 11 0.221 -1.546 -7.135 1.00 0.00 H new ATOM 0 HA ILE A 11 1.640 -3.074 -4.998 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.728 -2.772 -4.543 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.268 -5.320 -4.571 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.354 -5.502 -5.208 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.417 -3.814 -5.994 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.570 -2.476 -6.806 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.158 -4.162 -7.203 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.355 -5.691 -2.742 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.274 -4.257 -3.256 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.373 -4.073 -2.609 1.00 0.00 H new ATOM 183 N LEU A 12 2.660 -4.537 -6.620 1.00 0.00 N ATOM 184 CA LEU A 12 3.317 -5.433 -7.559 1.00 0.00 C ATOM 185 C LEU A 12 3.460 -6.815 -6.922 1.00 0.00 C ATOM 186 O LEU A 12 3.820 -6.929 -5.751 1.00 0.00 O ATOM 187 CB LEU A 12 4.640 -4.833 -8.036 1.00 0.00 C ATOM 188 CG LEU A 12 4.574 -3.408 -8.586 1.00 0.00 C ATOM 189 CD1 LEU A 12 5.977 -2.845 -8.824 1.00 0.00 C ATOM 190 CD2 LEU A 12 3.710 -3.347 -9.848 1.00 0.00 C ATOM 0 H LEU A 12 3.147 -4.419 -5.731 1.00 0.00 H new ATOM 0 HA LEU A 12 2.711 -5.558 -8.456 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.343 -4.847 -7.203 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.051 -5.481 -8.810 1.00 0.00 H new ATOM 0 HG LEU A 12 4.097 -2.775 -7.838 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.900 -1.830 -9.215 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.528 -2.831 -7.883 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.504 -3.472 -9.543 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.680 -2.323 -10.219 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.136 -3.997 -10.612 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.698 -3.678 -9.613 1.00 0.00 H new ATOM 202 N GLN A 13 3.169 -7.832 -7.719 1.00 0.00 N ATOM 203 CA GLN A 13 3.262 -9.203 -7.248 1.00 0.00 C ATOM 204 C GLN A 13 4.455 -9.908 -7.895 1.00 0.00 C ATOM 205 O GLN A 13 4.760 -9.675 -9.064 1.00 0.00 O ATOM 206 CB GLN A 13 1.963 -9.965 -7.521 1.00 0.00 C ATOM 207 CG GLN A 13 0.796 -9.000 -7.740 1.00 0.00 C ATOM 208 CD GLN A 13 0.000 -8.800 -6.448 1.00 0.00 C ATOM 209 OE1 GLN A 13 -0.838 -9.602 -6.074 1.00 0.00 O ATOM 210 NE2 GLN A 13 0.310 -7.686 -5.790 1.00 0.00 N ATOM 0 H GLN A 13 2.868 -7.734 -8.689 1.00 0.00 H new ATOM 0 HA GLN A 13 3.417 -9.185 -6.169 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.086 -10.597 -8.400 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.741 -10.625 -6.682 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.174 -8.040 -8.091 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.140 -9.388 -8.519 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.023 -7.057 -6.160 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.165 -7.461 -4.916 1.00 0.00 H new ATOM 219 N SER A 14 5.100 -10.755 -7.105 1.00 0.00 N ATOM 220 CA SER A 14 6.256 -11.495 -7.587 1.00 0.00 C ATOM 221 C SER A 14 6.167 -12.953 -7.134 1.00 0.00 C ATOM 222 O SER A 14 6.820 -13.348 -6.170 1.00 0.00 O ATOM 223 CB SER A 14 7.558 -10.864 -7.093 1.00 0.00 C ATOM 224 OG SER A 14 8.678 -11.720 -7.299 1.00 0.00 O ATOM 0 H SER A 14 4.845 -10.945 -6.136 1.00 0.00 H new ATOM 0 HA SER A 14 6.257 -11.458 -8.676 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.723 -9.920 -7.612 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.469 -10.633 -6.032 1.00 0.00 H new ATOM 0 HG SER A 14 9.490 -11.280 -6.972 1.00 0.00 H new ATOM 230 N SER A 15 5.355 -13.715 -7.852 1.00 0.00 N ATOM 231 CA SER A 15 5.175 -15.121 -7.537 1.00 0.00 C ATOM 232 C SER A 15 5.454 -15.976 -8.775 1.00 0.00 C ATOM 233 O SER A 15 4.961 -15.679 -9.863 1.00 0.00 O ATOM 234 CB SER A 15 3.761 -15.391 -7.015 1.00 0.00 C ATOM 235 OG SER A 15 3.629 -16.709 -6.487 1.00 0.00 O ATOM 0 H SER A 15 4.814 -13.384 -8.651 1.00 0.00 H new ATOM 0 HA SER A 15 5.882 -15.388 -6.752 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.515 -14.664 -6.241 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.043 -15.251 -7.823 1.00 0.00 H new ATOM 0 HG SER A 15 3.501 -16.661 -5.517 1.00 0.00 H new ATOM 241 N SER A 16 6.243 -17.020 -8.568 1.00 0.00 N ATOM 242 CA SER A 16 6.594 -17.918 -9.655 1.00 0.00 C ATOM 243 C SER A 16 6.947 -19.299 -9.097 1.00 0.00 C ATOM 244 O SER A 16 7.617 -19.407 -8.072 1.00 0.00 O ATOM 245 CB SER A 16 7.763 -17.364 -10.472 1.00 0.00 C ATOM 246 OG SER A 16 7.514 -17.437 -11.874 1.00 0.00 O ATOM 0 H SER A 16 6.649 -17.264 -7.665 1.00 0.00 H new ATOM 0 HA SER A 16 5.733 -18.007 -10.317 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.944 -16.327 -10.189 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.669 -17.922 -10.235 1.00 0.00 H new ATOM 0 HG SER A 16 8.282 -17.073 -12.362 1.00 0.00 H new ATOM 252 N ASP A 17 6.475 -20.322 -9.797 1.00 0.00 N ATOM 253 CA ASP A 17 6.731 -21.692 -9.385 1.00 0.00 C ATOM 254 C ASP A 17 8.175 -21.811 -8.891 1.00 0.00 C ATOM 255 O ASP A 17 9.020 -20.979 -9.223 1.00 0.00 O ATOM 256 CB ASP A 17 6.551 -22.661 -10.553 1.00 0.00 C ATOM 257 CG ASP A 17 6.578 -24.143 -10.175 1.00 0.00 C ATOM 258 OD1 ASP A 17 5.584 -24.693 -9.679 1.00 0.00 O ATOM 259 OD2 ASP A 17 7.693 -24.747 -10.413 1.00 0.00 O ATOM 0 H ASP A 17 5.917 -20.229 -10.646 1.00 0.00 H new ATOM 0 HA ASP A 17 6.023 -21.944 -8.595 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.602 -22.444 -11.042 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.337 -22.474 -11.285 1.00 0.00 H new ATOM 265 N GLY A 18 8.414 -22.850 -8.106 1.00 0.00 N ATOM 266 CA GLY A 18 9.741 -23.089 -7.563 1.00 0.00 C ATOM 267 C GLY A 18 10.464 -24.187 -8.344 1.00 0.00 C ATOM 268 O GLY A 18 11.345 -23.901 -9.153 1.00 0.00 O ATOM 0 H GLY A 18 7.711 -23.537 -7.832 1.00 0.00 H new ATOM 0 HA2 GLY A 18 10.324 -22.168 -7.599 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.662 -23.376 -6.514 1.00 0.00 H new ATOM 272 N GLY A 19 10.064 -25.421 -8.072 1.00 0.00 N ATOM 273 CA GLY A 19 10.663 -26.564 -8.740 1.00 0.00 C ATOM 274 C GLY A 19 10.250 -27.874 -8.063 1.00 0.00 C ATOM 275 O GLY A 19 9.105 -28.304 -8.185 1.00 0.00 O ATOM 0 H GLY A 19 9.334 -25.654 -7.399 1.00 0.00 H new ATOM 0 HA2 GLY A 19 10.358 -26.579 -9.786 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.749 -26.470 -8.726 1.00 0.00 H new ATOM 279 N GLY A 20 11.205 -28.468 -7.364 1.00 0.00 N ATOM 280 CA GLY A 20 10.954 -29.717 -6.666 1.00 0.00 C ATOM 281 C GLY A 20 10.767 -29.482 -5.167 1.00 0.00 C ATOM 282 O GLY A 20 9.638 -29.441 -4.679 1.00 0.00 O ATOM 0 H GLY A 20 12.154 -28.108 -7.266 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.064 -30.194 -7.076 1.00 0.00 H new ATOM 0 HA3 GLY A 20 11.786 -30.402 -6.829 1.00 0.00 H new ATOM 286 N HIS A 21 11.889 -29.333 -4.478 1.00 0.00 N ATOM 287 CA HIS A 21 11.862 -29.102 -3.044 1.00 0.00 C ATOM 288 C HIS A 21 11.644 -27.613 -2.768 1.00 0.00 C ATOM 289 O HIS A 21 11.582 -26.809 -3.696 1.00 0.00 O ATOM 290 CB HIS A 21 13.127 -29.649 -2.382 1.00 0.00 C ATOM 291 CG HIS A 21 14.395 -29.364 -3.149 1.00 0.00 C ATOM 292 ND1 HIS A 21 15.376 -30.318 -3.360 1.00 0.00 N ATOM 293 CD2 HIS A 21 14.833 -28.223 -3.756 1.00 0.00 C ATOM 294 CE1 HIS A 21 16.353 -29.765 -4.062 1.00 0.00 C ATOM 295 NE2 HIS A 21 16.016 -28.467 -4.306 1.00 0.00 N ATOM 0 H HIS A 21 12.823 -29.368 -4.887 1.00 0.00 H new ATOM 0 HA HIS A 21 11.027 -29.644 -2.600 1.00 0.00 H new ATOM 0 HB2 HIS A 21 13.215 -29.222 -1.383 1.00 0.00 H new ATOM 0 HB3 HIS A 21 13.023 -30.727 -2.260 1.00 0.00 H new ATOM 0 HD2 HIS A 21 14.306 -27.281 -3.784 1.00 0.00 H new ATOM 0 HE1 HIS A 21 17.259 -30.257 -4.385 1.00 0.00 H new ATOM 0 HE2 HIS A 21 16.580 -27.794 -4.826 1.00 0.00 H new ATOM 303 N PHE A 22 11.535 -27.291 -1.487 1.00 0.00 N ATOM 304 CA PHE A 22 11.326 -25.913 -1.078 1.00 0.00 C ATOM 305 C PHE A 22 9.929 -25.429 -1.473 1.00 0.00 C ATOM 306 O PHE A 22 9.534 -25.542 -2.633 1.00 0.00 O ATOM 307 CB PHE A 22 12.371 -25.066 -1.805 1.00 0.00 C ATOM 308 CG PHE A 22 13.128 -24.095 -0.898 1.00 0.00 C ATOM 309 CD1 PHE A 22 13.651 -24.532 0.279 1.00 0.00 C ATOM 310 CD2 PHE A 22 13.277 -22.794 -1.266 1.00 0.00 C ATOM 311 CE1 PHE A 22 14.354 -23.632 1.122 1.00 0.00 C ATOM 312 CE2 PHE A 22 13.979 -21.895 -0.424 1.00 0.00 C ATOM 313 CZ PHE A 22 14.504 -22.331 0.753 1.00 0.00 C ATOM 0 H PHE A 22 11.588 -27.961 -0.719 1.00 0.00 H new ATOM 0 HA PHE A 22 11.417 -25.829 0.005 1.00 0.00 H new ATOM 0 HB2 PHE A 22 13.088 -25.729 -2.288 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.878 -24.499 -2.595 1.00 0.00 H new ATOM 0 HD1 PHE A 22 13.531 -25.564 0.572 1.00 0.00 H new ATOM 0 HD2 PHE A 22 12.861 -22.446 -2.200 1.00 0.00 H new ATOM 0 HE1 PHE A 22 14.770 -23.980 2.056 1.00 0.00 H new ATOM 0 HE2 PHE A 22 14.097 -20.862 -0.717 1.00 0.00 H new ATOM 0 HZ PHE A 22 15.039 -21.645 1.393 1.00 0.00 H new ATOM 323 N PRO A 23 9.200 -24.886 -0.462 1.00 0.00 N ATOM 324 CA PRO A 23 7.858 -24.384 -0.691 1.00 0.00 C ATOM 325 C PRO A 23 7.890 -23.045 -1.432 1.00 0.00 C ATOM 326 O PRO A 23 8.871 -22.308 -1.346 1.00 0.00 O ATOM 327 CB PRO A 23 7.232 -24.283 0.692 1.00 0.00 C ATOM 328 CG PRO A 23 8.392 -24.286 1.674 1.00 0.00 C ATOM 329 CD PRO A 23 9.636 -24.735 0.923 1.00 0.00 C ATOM 0 HA PRO A 23 7.269 -25.040 -1.333 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.641 -23.372 0.788 1.00 0.00 H new ATOM 0 HB3 PRO A 23 6.560 -25.120 0.879 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.538 -23.291 2.095 1.00 0.00 H new ATOM 0 HG3 PRO A 23 8.185 -24.958 2.507 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.436 -24.000 1.008 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.021 -25.674 1.321 1.00 0.00 H new ATOM 337 N PRO A 24 6.778 -22.765 -2.164 1.00 0.00 N ATOM 338 CA PRO A 24 6.671 -21.529 -2.918 1.00 0.00 C ATOM 339 C PRO A 24 6.404 -20.342 -1.991 1.00 0.00 C ATOM 340 O PRO A 24 5.999 -20.524 -0.844 1.00 0.00 O ATOM 341 CB PRO A 24 5.549 -21.771 -3.913 1.00 0.00 C ATOM 342 CG PRO A 24 4.762 -22.953 -3.372 1.00 0.00 C ATOM 343 CD PRO A 24 5.598 -23.614 -2.289 1.00 0.00 C ATOM 0 HA PRO A 24 7.595 -21.271 -3.436 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.915 -20.890 -4.008 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.946 -21.987 -4.905 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.806 -22.622 -2.967 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.542 -23.662 -4.170 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.051 -23.674 -1.348 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.870 -24.633 -2.565 1.00 0.00 H new ATOM 351 N THR A 25 6.641 -19.151 -2.522 1.00 0.00 N ATOM 352 CA THR A 25 6.432 -17.934 -1.757 1.00 0.00 C ATOM 353 C THR A 25 5.795 -16.855 -2.636 1.00 0.00 C ATOM 354 O THR A 25 5.495 -17.097 -3.803 1.00 0.00 O ATOM 355 CB THR A 25 7.775 -17.514 -1.156 1.00 0.00 C ATOM 356 OG1 THR A 25 7.515 -16.237 -0.584 1.00 0.00 O ATOM 357 CG2 THR A 25 8.832 -17.236 -2.227 1.00 0.00 C ATOM 0 H THR A 25 6.976 -19.003 -3.474 1.00 0.00 H new ATOM 0 HA THR A 25 5.732 -18.098 -0.938 1.00 0.00 H new ATOM 0 HB THR A 25 8.134 -18.295 -0.485 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.983 -16.346 0.232 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.766 -16.942 -1.749 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.995 -18.136 -2.819 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.488 -16.432 -2.877 1.00 0.00 H new ATOM 365 N ILE A 26 5.608 -15.686 -2.039 1.00 0.00 N ATOM 366 CA ILE A 26 5.014 -14.569 -2.753 1.00 0.00 C ATOM 367 C ILE A 26 5.731 -13.277 -2.359 1.00 0.00 C ATOM 368 O ILE A 26 6.025 -13.057 -1.186 1.00 0.00 O ATOM 369 CB ILE A 26 3.502 -14.527 -2.519 1.00 0.00 C ATOM 370 CG1 ILE A 26 2.795 -13.750 -3.631 1.00 0.00 C ATOM 371 CG2 ILE A 26 3.177 -13.966 -1.133 1.00 0.00 C ATOM 372 CD1 ILE A 26 1.563 -13.021 -3.093 1.00 0.00 C ATOM 0 H ILE A 26 5.857 -15.489 -1.070 1.00 0.00 H new ATOM 0 HA ILE A 26 5.145 -14.692 -3.828 1.00 0.00 H new ATOM 0 HB ILE A 26 3.124 -15.549 -2.550 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.485 -13.030 -4.071 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.499 -14.434 -4.426 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.096 -13.947 -0.992 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.631 -14.597 -0.369 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.572 -12.953 -1.049 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.079 -12.477 -3.904 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.865 -13.746 -2.675 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.866 -12.320 -2.315 1.00 0.00 H new ATOM 384 N GLN A 27 5.995 -12.455 -3.364 1.00 0.00 N ATOM 385 CA GLN A 27 6.674 -11.191 -3.138 1.00 0.00 C ATOM 386 C GLN A 27 5.836 -10.031 -3.685 1.00 0.00 C ATOM 387 O GLN A 27 5.843 -9.770 -4.886 1.00 0.00 O ATOM 388 CB GLN A 27 8.071 -11.199 -3.762 1.00 0.00 C ATOM 389 CG GLN A 27 9.134 -11.566 -2.725 1.00 0.00 C ATOM 390 CD GLN A 27 10.422 -12.038 -3.403 1.00 0.00 C ATOM 391 OE1 GLN A 27 11.458 -11.398 -3.340 1.00 0.00 O ATOM 392 NE2 GLN A 27 10.299 -13.192 -4.053 1.00 0.00 N ATOM 0 H GLN A 27 5.751 -12.640 -4.337 1.00 0.00 H new ATOM 0 HA GLN A 27 6.792 -11.053 -2.063 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.101 -11.912 -4.586 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.291 -10.217 -4.182 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.346 -10.702 -2.095 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.754 -12.351 -2.072 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.402 -13.677 -4.066 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.102 -13.592 -4.538 1.00 0.00 H new ATOM 401 N LEU A 28 5.135 -9.370 -2.776 1.00 0.00 N ATOM 402 CA LEU A 28 4.294 -8.248 -3.151 1.00 0.00 C ATOM 403 C LEU A 28 5.050 -6.942 -2.895 1.00 0.00 C ATOM 404 O LEU A 28 5.065 -6.440 -1.772 1.00 0.00 O ATOM 405 CB LEU A 28 2.943 -8.326 -2.436 1.00 0.00 C ATOM 406 CG LEU A 28 2.291 -9.710 -2.388 1.00 0.00 C ATOM 407 CD1 LEU A 28 1.468 -9.883 -1.109 1.00 0.00 C ATOM 408 CD2 LEU A 28 1.456 -9.965 -3.645 1.00 0.00 C ATOM 0 H LEU A 28 5.133 -9.591 -1.780 1.00 0.00 H new ATOM 0 HA LEU A 28 4.067 -8.283 -4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.074 -7.972 -1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.254 -7.638 -2.926 1.00 0.00 H new ATOM 0 HG LEU A 28 3.081 -10.461 -2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.015 -10.874 -1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.117 -9.772 -0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.685 -9.126 -1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.003 -10.955 -3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.672 -9.211 -3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.097 -9.911 -4.525 1.00 0.00 H new ATOM 420 N LEU A 29 5.658 -6.431 -3.955 1.00 0.00 N ATOM 421 CA LEU A 29 6.415 -5.194 -3.860 1.00 0.00 C ATOM 422 C LEU A 29 5.484 -4.010 -4.131 1.00 0.00 C ATOM 423 O LEU A 29 4.891 -3.916 -5.205 1.00 0.00 O ATOM 424 CB LEU A 29 7.636 -5.239 -4.780 1.00 0.00 C ATOM 425 CG LEU A 29 8.913 -5.824 -4.172 1.00 0.00 C ATOM 426 CD1 LEU A 29 8.669 -7.240 -3.644 1.00 0.00 C ATOM 427 CD2 LEU A 29 10.069 -5.777 -5.173 1.00 0.00 C ATOM 0 H LEU A 29 5.642 -6.851 -4.884 1.00 0.00 H new ATOM 0 HA LEU A 29 6.810 -5.066 -2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.378 -5.822 -5.664 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.849 -4.225 -5.117 1.00 0.00 H new ATOM 0 HG LEU A 29 9.200 -5.207 -3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.592 -7.633 -3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.896 -7.214 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.345 -7.883 -4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.964 -6.199 -4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.807 -6.356 -6.059 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.261 -4.743 -5.459 1.00 0.00 H new ATOM 439 N CYS A 30 5.385 -3.136 -3.140 1.00 0.00 N ATOM 440 CA CYS A 30 4.537 -1.963 -3.260 1.00 0.00 C ATOM 441 C CYS A 30 5.379 -0.815 -3.821 1.00 0.00 C ATOM 442 O CYS A 30 6.483 -0.560 -3.342 1.00 0.00 O ATOM 443 CB CYS A 30 3.890 -1.595 -1.923 1.00 0.00 C ATOM 444 SG CYS A 30 2.168 -0.987 -2.045 1.00 0.00 S ATOM 0 H CYS A 30 5.878 -3.217 -2.251 1.00 0.00 H new ATOM 0 HA CYS A 30 3.714 -2.175 -3.942 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.906 -2.471 -1.274 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.497 -0.830 -1.440 1.00 0.00 H new ATOM 449 N LEU A 31 4.826 -0.156 -4.827 1.00 0.00 N ATOM 450 CA LEU A 31 5.513 0.958 -5.460 1.00 0.00 C ATOM 451 C LEU A 31 4.882 2.272 -4.993 1.00 0.00 C ATOM 452 O LEU A 31 3.811 2.653 -5.466 1.00 0.00 O ATOM 453 CB LEU A 31 5.526 0.788 -6.979 1.00 0.00 C ATOM 454 CG LEU A 31 6.879 0.439 -7.606 1.00 0.00 C ATOM 455 CD1 LEU A 31 7.404 -0.893 -7.068 1.00 0.00 C ATOM 456 CD2 LEU A 31 6.795 0.450 -9.132 1.00 0.00 C ATOM 0 H LEU A 31 3.910 -0.371 -5.220 1.00 0.00 H new ATOM 0 HA LEU A 31 6.560 0.981 -5.157 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.814 0.006 -7.243 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.167 1.713 -7.431 1.00 0.00 H new ATOM 0 HG LEU A 31 7.598 1.207 -7.319 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.366 -1.118 -7.529 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.526 -0.826 -5.987 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.694 -1.686 -7.304 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.769 0.199 -9.552 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.058 -0.283 -9.461 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.498 1.442 -9.473 1.00 0.00 H new ATOM 468 N VAL A 32 5.573 2.929 -4.072 1.00 0.00 N ATOM 469 CA VAL A 32 5.092 4.191 -3.537 1.00 0.00 C ATOM 470 C VAL A 32 6.216 5.228 -3.599 1.00 0.00 C ATOM 471 O VAL A 32 7.287 5.021 -3.030 1.00 0.00 O ATOM 472 CB VAL A 32 4.545 3.986 -2.124 1.00 0.00 C ATOM 473 CG1 VAL A 32 5.680 3.932 -1.099 1.00 0.00 C ATOM 474 CG2 VAL A 32 3.534 5.076 -1.764 1.00 0.00 C ATOM 0 H VAL A 32 6.461 2.611 -3.684 1.00 0.00 H new ATOM 0 HA VAL A 32 4.266 4.571 -4.138 1.00 0.00 H new ATOM 0 HB VAL A 32 4.027 3.027 -2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.264 3.786 -0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.348 3.104 -1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.238 4.868 -1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.160 4.907 -0.754 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.018 6.052 -1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.702 5.048 -2.468 1.00 0.00 H new ATOM 484 N SER A 33 5.936 6.318 -4.297 1.00 0.00 N ATOM 485 CA SER A 33 6.910 7.385 -4.440 1.00 0.00 C ATOM 486 C SER A 33 6.203 8.697 -4.787 1.00 0.00 C ATOM 487 O SER A 33 4.976 8.747 -4.850 1.00 0.00 O ATOM 488 CB SER A 33 7.948 7.044 -5.511 1.00 0.00 C ATOM 489 OG SER A 33 7.344 6.546 -6.701 1.00 0.00 O ATOM 0 H SER A 33 5.048 6.485 -4.770 1.00 0.00 H new ATOM 0 HA SER A 33 7.431 7.500 -3.490 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.532 7.934 -5.746 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.643 6.301 -5.119 1.00 0.00 H new ATOM 0 HG SER A 33 8.040 6.342 -7.360 1.00 0.00 H new ATOM 495 N GLY A 34 7.007 9.728 -5.006 1.00 0.00 N ATOM 496 CA GLY A 34 6.474 11.035 -5.346 1.00 0.00 C ATOM 497 C GLY A 34 5.965 11.760 -4.098 1.00 0.00 C ATOM 498 O GLY A 34 6.227 12.948 -3.915 1.00 0.00 O ATOM 0 H GLY A 34 8.025 9.683 -4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.247 11.633 -5.829 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.661 10.925 -6.064 1.00 0.00 H new ATOM 502 N TYR A 35 5.245 11.016 -3.272 1.00 0.00 N ATOM 503 CA TYR A 35 4.695 11.573 -2.047 1.00 0.00 C ATOM 504 C TYR A 35 5.813 11.992 -1.088 1.00 0.00 C ATOM 505 O TYR A 35 6.914 11.444 -1.133 1.00 0.00 O ATOM 506 CB TYR A 35 3.879 10.452 -1.401 1.00 0.00 C ATOM 507 CG TYR A 35 4.722 9.277 -0.901 1.00 0.00 C ATOM 508 CD1 TYR A 35 5.570 9.447 0.175 1.00 0.00 C ATOM 509 CD2 TYR A 35 4.633 8.048 -1.523 1.00 0.00 C ATOM 510 CE1 TYR A 35 6.364 8.341 0.647 1.00 0.00 C ATOM 511 CE2 TYR A 35 5.427 6.943 -1.051 1.00 0.00 C ATOM 512 CZ TYR A 35 6.251 7.144 0.011 1.00 0.00 C ATOM 513 OH TYR A 35 7.002 6.100 0.458 1.00 0.00 O ATOM 0 H TYR A 35 5.029 10.031 -3.427 1.00 0.00 H new ATOM 0 HA TYR A 35 4.093 12.455 -2.263 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.315 10.863 -0.564 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.152 10.082 -2.124 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.638 10.408 0.663 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.968 7.915 -2.364 1.00 0.00 H new ATOM 0 HE1 TYR A 35 7.033 8.460 1.486 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.369 5.977 -1.530 1.00 0.00 H new ATOM 0 HH TYR A 35 7.892 6.422 0.711 1.00 0.00 H new ATOM 523 N THR A 36 5.491 12.959 -0.242 1.00 0.00 N ATOM 524 CA THR A 36 6.453 13.458 0.727 1.00 0.00 C ATOM 525 C THR A 36 7.785 13.767 0.044 1.00 0.00 C ATOM 526 O THR A 36 8.211 13.043 -0.855 1.00 0.00 O ATOM 527 CB THR A 36 6.571 12.424 1.850 1.00 0.00 C ATOM 528 OG1 THR A 36 5.232 11.982 2.057 1.00 0.00 O ATOM 529 CG2 THR A 36 6.965 13.056 3.186 1.00 0.00 C ATOM 0 H THR A 36 4.577 13.411 -0.207 1.00 0.00 H new ATOM 0 HA THR A 36 6.122 14.400 1.165 1.00 0.00 H new ATOM 0 HB THR A 36 7.307 11.669 1.573 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.854 12.437 2.839 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.035 12.280 3.949 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.930 13.552 3.083 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.211 13.786 3.479 1.00 0.00 H new ATOM 537 N PRO A 37 8.425 14.874 0.509 1.00 0.00 N ATOM 538 CA PRO A 37 9.703 15.289 -0.048 1.00 0.00 C ATOM 539 C PRO A 37 10.834 14.385 0.444 1.00 0.00 C ATOM 540 O PRO A 37 11.952 14.449 -0.070 1.00 0.00 O ATOM 541 CB PRO A 37 9.868 16.737 0.382 1.00 0.00 C ATOM 542 CG PRO A 37 8.909 16.937 1.546 1.00 0.00 C ATOM 543 CD PRO A 37 7.953 15.757 1.571 1.00 0.00 C ATOM 0 HA PRO A 37 9.736 15.205 -1.134 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.896 16.941 0.683 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.635 17.417 -0.437 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.458 17.003 2.485 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.359 17.871 1.431 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.968 15.256 2.539 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.926 16.076 1.393 1.00 0.00 H new ATOM 551 N GLY A 38 10.507 13.566 1.432 1.00 0.00 N ATOM 552 CA GLY A 38 11.483 12.651 1.999 1.00 0.00 C ATOM 553 C GLY A 38 10.970 11.209 1.959 1.00 0.00 C ATOM 554 O GLY A 38 11.641 10.322 1.433 1.00 0.00 O ATOM 0 H GLY A 38 9.580 13.517 1.855 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.419 12.723 1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.699 12.936 3.029 1.00 0.00 H new ATOM 558 N THR A 39 9.786 11.020 2.522 1.00 0.00 N ATOM 559 CA THR A 39 9.176 9.704 2.559 1.00 0.00 C ATOM 560 C THR A 39 8.037 9.671 3.579 1.00 0.00 C ATOM 561 O THR A 39 7.820 10.640 4.305 1.00 0.00 O ATOM 562 CB THR A 39 10.277 8.680 2.845 1.00 0.00 C ATOM 563 OG1 THR A 39 10.622 8.173 1.557 1.00 0.00 O ATOM 564 CG2 THR A 39 9.758 7.456 3.601 1.00 0.00 C ATOM 0 H THR A 39 9.233 11.758 2.957 1.00 0.00 H new ATOM 0 HA THR A 39 8.719 9.454 1.601 1.00 0.00 H new ATOM 0 HB THR A 39 11.071 9.153 3.424 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.643 8.909 0.911 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.580 6.762 3.778 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.336 7.770 4.556 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.987 6.962 3.009 1.00 0.00 H new ATOM 572 N ILE A 40 7.339 8.544 3.605 1.00 0.00 N ATOM 573 CA ILE A 40 6.227 8.373 4.525 1.00 0.00 C ATOM 574 C ILE A 40 6.507 7.179 5.439 1.00 0.00 C ATOM 575 O ILE A 40 7.632 7.000 5.905 1.00 0.00 O ATOM 576 CB ILE A 40 4.908 8.264 3.758 1.00 0.00 C ATOM 577 CG1 ILE A 40 4.912 7.048 2.829 1.00 0.00 C ATOM 578 CG2 ILE A 40 4.603 9.559 3.003 1.00 0.00 C ATOM 579 CD1 ILE A 40 3.928 7.235 1.673 1.00 0.00 C ATOM 0 H ILE A 40 7.522 7.741 3.004 1.00 0.00 H new ATOM 0 HA ILE A 40 6.124 9.249 5.166 1.00 0.00 H new ATOM 0 HB ILE A 40 4.106 8.115 4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.916 6.891 2.434 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.648 6.154 3.394 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.660 9.454 2.467 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.528 10.384 3.711 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.404 9.763 2.292 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.952 6.356 1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.921 7.367 2.070 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.209 8.116 1.095 1.00 0.00 H new ATOM 591 N ASN A 41 5.466 6.394 5.670 1.00 0.00 N ATOM 592 CA ASN A 41 5.585 5.222 6.521 1.00 0.00 C ATOM 593 C ASN A 41 5.219 3.972 5.715 1.00 0.00 C ATOM 594 O ASN A 41 4.553 4.067 4.687 1.00 0.00 O ATOM 595 CB ASN A 41 4.637 5.310 7.717 1.00 0.00 C ATOM 596 CG ASN A 41 4.982 4.254 8.770 1.00 0.00 C ATOM 597 OD1 ASN A 41 4.339 3.224 8.887 1.00 0.00 O ATOM 598 ND2 ASN A 41 6.029 4.569 9.527 1.00 0.00 N ATOM 0 H ASN A 41 4.535 6.546 5.282 1.00 0.00 H new ATOM 0 HA ASN A 41 6.613 5.170 6.881 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.697 6.304 8.161 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.609 5.172 7.382 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.339 3.931 10.260 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.522 5.449 9.375 1.00 0.00 H new ATOM 605 N ILE A 42 5.670 2.832 6.217 1.00 0.00 N ATOM 606 CA ILE A 42 5.397 1.565 5.558 1.00 0.00 C ATOM 607 C ILE A 42 4.569 0.678 6.489 1.00 0.00 C ATOM 608 O ILE A 42 4.923 0.493 7.652 1.00 0.00 O ATOM 609 CB ILE A 42 6.701 0.916 5.086 1.00 0.00 C ATOM 610 CG1 ILE A 42 7.829 1.946 5.006 1.00 0.00 C ATOM 611 CG2 ILE A 42 6.497 0.184 3.760 1.00 0.00 C ATOM 612 CD1 ILE A 42 7.452 3.098 4.071 1.00 0.00 C ATOM 0 H ILE A 42 6.222 2.759 7.071 1.00 0.00 H new ATOM 0 HA ILE A 42 4.802 1.723 4.658 1.00 0.00 H new ATOM 0 HB ILE A 42 7.000 0.171 5.823 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.043 2.335 6.001 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.740 1.466 4.649 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.438 -0.268 3.446 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.744 -0.594 3.886 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.164 0.892 3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.270 3.817 4.031 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.263 2.708 3.071 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.554 3.591 4.444 1.00 0.00 H new ATOM 624 N THR A 43 3.482 0.154 5.942 1.00 0.00 N ATOM 625 CA THR A 43 2.601 -0.710 6.711 1.00 0.00 C ATOM 626 C THR A 43 1.826 -1.643 5.779 1.00 0.00 C ATOM 627 O THR A 43 1.608 -1.321 4.612 1.00 0.00 O ATOM 628 CB THR A 43 1.700 0.179 7.571 1.00 0.00 C ATOM 629 OG1 THR A 43 2.548 1.252 7.967 1.00 0.00 O ATOM 630 CG2 THR A 43 1.303 -0.490 8.889 1.00 0.00 C ATOM 0 H THR A 43 3.191 0.310 4.977 1.00 0.00 H new ATOM 0 HA THR A 43 3.166 -1.363 7.376 1.00 0.00 H new ATOM 0 HB THR A 43 0.801 0.436 7.010 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.304 0.899 8.481 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.664 0.183 9.461 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.762 -1.413 8.680 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.199 -0.717 9.466 1.00 0.00 H new ATOM 638 N TRP A 44 1.427 -2.780 6.330 1.00 0.00 N ATOM 639 CA TRP A 44 0.680 -3.763 5.563 1.00 0.00 C ATOM 640 C TRP A 44 -0.341 -4.415 6.499 1.00 0.00 C ATOM 641 O TRP A 44 0.009 -4.865 7.588 1.00 0.00 O ATOM 642 CB TRP A 44 1.619 -4.774 4.904 1.00 0.00 C ATOM 643 CG TRP A 44 2.678 -4.143 3.999 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.595 -3.221 4.320 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.890 -4.425 2.599 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.381 -2.890 3.235 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.940 -3.646 2.156 1.00 0.00 C ATOM 648 CE3 TRP A 44 2.220 -5.311 1.736 1.00 0.00 C ATOM 649 CZ2 TRP A 44 4.411 -3.673 0.837 1.00 0.00 C ATOM 650 CZ3 TRP A 44 2.703 -5.325 0.424 1.00 0.00 C ATOM 651 CH2 TRP A 44 3.758 -4.547 -0.039 1.00 0.00 C ATOM 0 H TRP A 44 1.607 -3.043 7.299 1.00 0.00 H new ATOM 0 HA TRP A 44 0.145 -3.286 4.741 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.118 -5.351 5.682 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.026 -5.476 4.317 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.705 -2.791 5.304 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.145 -2.214 3.227 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.398 -5.931 2.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.234 -3.053 0.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.222 -5.988 -0.280 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.072 -4.617 -1.070 1.00 0.00 H new ATOM 662 N LEU A 45 -1.583 -4.445 6.037 1.00 0.00 N ATOM 663 CA LEU A 45 -2.656 -5.036 6.818 1.00 0.00 C ATOM 664 C LEU A 45 -2.894 -6.472 6.349 1.00 0.00 C ATOM 665 O LEU A 45 -3.337 -6.697 5.224 1.00 0.00 O ATOM 666 CB LEU A 45 -3.907 -4.155 6.761 1.00 0.00 C ATOM 667 CG LEU A 45 -4.594 -3.876 8.099 1.00 0.00 C ATOM 668 CD1 LEU A 45 -5.681 -2.810 7.946 1.00 0.00 C ATOM 669 CD2 LEU A 45 -5.139 -5.167 8.715 1.00 0.00 C ATOM 0 H LEU A 45 -1.869 -4.070 5.133 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.377 -5.088 7.870 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.635 -3.201 6.309 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.630 -4.628 6.096 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.849 -3.479 8.789 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.153 -2.631 8.912 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.234 -1.884 7.583 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.431 -3.155 7.234 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.622 -4.941 9.665 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.865 -5.616 8.037 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.319 -5.865 8.882 1.00 0.00 H new ATOM 681 N GLU A 46 -2.587 -7.408 7.235 1.00 0.00 N ATOM 682 CA GLU A 46 -2.760 -8.818 6.926 1.00 0.00 C ATOM 683 C GLU A 46 -4.033 -9.353 7.584 1.00 0.00 C ATOM 684 O GLU A 46 -4.363 -8.971 8.706 1.00 0.00 O ATOM 685 CB GLU A 46 -1.537 -9.628 7.359 1.00 0.00 C ATOM 686 CG GLU A 46 -1.723 -11.114 7.041 1.00 0.00 C ATOM 687 CD GLU A 46 -0.867 -11.983 7.963 1.00 0.00 C ATOM 688 OE1 GLU A 46 -1.229 -13.136 8.241 1.00 0.00 O ATOM 689 OE2 GLU A 46 0.212 -11.423 8.393 1.00 0.00 O ATOM 0 H GLU A 46 -2.219 -7.218 8.167 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.861 -8.924 5.846 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.649 -9.252 6.851 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.371 -9.499 8.429 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.773 -11.385 7.152 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.453 -11.304 6.002 1.00 0.00 H new ATOM 697 N ASP A 47 -4.714 -10.227 6.857 1.00 0.00 N ATOM 698 CA ASP A 47 -5.944 -10.817 7.357 1.00 0.00 C ATOM 699 C ASP A 47 -6.037 -12.270 6.884 1.00 0.00 C ATOM 700 O ASP A 47 -6.414 -12.532 5.743 1.00 0.00 O ATOM 701 CB ASP A 47 -7.170 -10.070 6.827 1.00 0.00 C ATOM 702 CG ASP A 47 -7.955 -9.288 7.881 1.00 0.00 C ATOM 703 OD1 ASP A 47 -7.549 -8.193 8.299 1.00 0.00 O ATOM 704 OD2 ASP A 47 -9.043 -9.855 8.283 1.00 0.00 O ATOM 0 H ASP A 47 -4.437 -10.540 5.927 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.927 -10.757 8.445 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.847 -9.378 6.049 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.840 -10.790 6.356 1.00 0.00 H new ATOM 710 N GLY A 48 -5.685 -13.175 7.785 1.00 0.00 N ATOM 711 CA GLY A 48 -5.722 -14.593 7.473 1.00 0.00 C ATOM 712 C GLY A 48 -4.589 -15.341 8.181 1.00 0.00 C ATOM 713 O GLY A 48 -3.631 -15.774 7.540 1.00 0.00 O ATOM 0 H GLY A 48 -5.373 -12.954 8.731 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.682 -15.010 7.775 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.638 -14.734 6.395 1.00 0.00 H new ATOM 717 N GLN A 49 -4.736 -15.469 9.490 1.00 0.00 N ATOM 718 CA GLN A 49 -3.737 -16.157 10.292 1.00 0.00 C ATOM 719 C GLN A 49 -2.724 -15.156 10.850 1.00 0.00 C ATOM 720 O GLN A 49 -1.927 -14.591 10.100 1.00 0.00 O ATOM 721 CB GLN A 49 -3.039 -17.250 9.479 1.00 0.00 C ATOM 722 CG GLN A 49 -2.504 -18.354 10.392 1.00 0.00 C ATOM 723 CD GLN A 49 -3.569 -19.424 10.641 1.00 0.00 C ATOM 724 OE1 GLN A 49 -4.559 -19.206 11.320 1.00 0.00 O ATOM 725 NE2 GLN A 49 -3.312 -20.590 10.054 1.00 0.00 N ATOM 0 H GLN A 49 -5.531 -15.108 10.017 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.240 -16.640 11.130 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.738 -17.675 8.759 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.218 -16.816 8.908 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.624 -18.810 9.939 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.187 -17.923 11.342 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.464 -20.706 9.499 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.963 -21.368 10.159 1.00 0.00 H new ATOM 734 N VAL A 50 -2.787 -14.965 12.159 1.00 0.00 N ATOM 735 CA VAL A 50 -1.883 -14.042 12.825 1.00 0.00 C ATOM 736 C VAL A 50 -0.476 -14.643 12.856 1.00 0.00 C ATOM 737 O VAL A 50 0.222 -14.545 13.863 1.00 0.00 O ATOM 738 CB VAL A 50 -2.417 -13.699 14.217 1.00 0.00 C ATOM 739 CG1 VAL A 50 -2.397 -14.929 15.130 1.00 0.00 C ATOM 740 CG2 VAL A 50 -1.632 -12.543 14.838 1.00 0.00 C ATOM 0 H VAL A 50 -3.450 -15.433 12.777 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.823 -13.104 12.274 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.453 -13.378 14.108 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.781 -14.658 16.113 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.021 -15.712 14.699 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.374 -15.293 15.228 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.033 -12.321 15.827 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.582 -12.822 14.927 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.720 -11.661 14.204 1.00 0.00 H new ATOM 750 N MET A 51 -0.104 -15.254 11.740 1.00 0.00 N ATOM 751 CA MET A 51 1.206 -15.871 11.627 1.00 0.00 C ATOM 752 C MET A 51 2.228 -14.890 11.051 1.00 0.00 C ATOM 753 O MET A 51 2.133 -14.499 9.889 1.00 0.00 O ATOM 754 CB MET A 51 1.114 -17.101 10.721 1.00 0.00 C ATOM 755 CG MET A 51 1.637 -18.349 11.436 1.00 0.00 C ATOM 756 SD MET A 51 3.260 -18.768 10.821 1.00 0.00 S ATOM 757 CE MET A 51 3.960 -19.518 12.283 1.00 0.00 C ATOM 0 H MET A 51 -0.687 -15.335 10.907 1.00 0.00 H new ATOM 0 HA MET A 51 1.535 -16.165 12.624 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.079 -17.258 10.419 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.689 -16.931 9.811 1.00 0.00 H new ATOM 0 HG2 MET A 51 1.681 -18.171 12.511 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.953 -19.183 11.278 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.980 -19.840 12.074 1.00 0.00 H new ATOM 0 HE2 MET A 51 3.968 -18.792 13.096 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.360 -20.380 12.573 1.00 0.00 H new ATOM 767 N ASP A 52 3.180 -14.516 11.894 1.00 0.00 N ATOM 768 CA ASP A 52 4.218 -13.585 11.483 1.00 0.00 C ATOM 769 C ASP A 52 5.079 -14.234 10.399 1.00 0.00 C ATOM 770 O ASP A 52 6.262 -14.497 10.613 1.00 0.00 O ATOM 771 CB ASP A 52 5.132 -13.225 12.658 1.00 0.00 C ATOM 772 CG ASP A 52 6.316 -12.325 12.303 1.00 0.00 C ATOM 773 OD1 ASP A 52 7.478 -12.756 12.336 1.00 0.00 O ATOM 774 OD2 ASP A 52 6.005 -11.116 11.979 1.00 0.00 O ATOM 0 H ASP A 52 3.254 -14.840 12.858 1.00 0.00 H new ATOM 0 HA ASP A 52 3.733 -12.682 11.112 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.536 -12.730 13.424 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.514 -14.146 13.097 1.00 0.00 H new ATOM 780 N VAL A 53 4.453 -14.474 9.257 1.00 0.00 N ATOM 781 CA VAL A 53 5.146 -15.087 8.136 1.00 0.00 C ATOM 782 C VAL A 53 4.788 -14.341 6.849 1.00 0.00 C ATOM 783 O VAL A 53 5.117 -14.792 5.753 1.00 0.00 O ATOM 784 CB VAL A 53 4.819 -16.580 8.072 1.00 0.00 C ATOM 785 CG1 VAL A 53 4.520 -17.014 6.635 1.00 0.00 C ATOM 786 CG2 VAL A 53 5.951 -17.416 8.674 1.00 0.00 C ATOM 0 H VAL A 53 3.472 -14.255 9.083 1.00 0.00 H new ATOM 0 HA VAL A 53 6.225 -15.009 8.266 1.00 0.00 H new ATOM 0 HB VAL A 53 3.923 -16.753 8.668 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.291 -18.079 6.617 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.666 -16.453 6.256 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.390 -16.819 6.008 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.693 -18.473 8.616 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.871 -17.236 8.118 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.096 -17.135 9.717 1.00 0.00 H new ATOM 796 N ASP A 54 4.118 -13.211 7.024 1.00 0.00 N ATOM 797 CA ASP A 54 3.713 -12.398 5.891 1.00 0.00 C ATOM 798 C ASP A 54 3.867 -10.918 6.249 1.00 0.00 C ATOM 799 O ASP A 54 2.926 -10.290 6.731 1.00 0.00 O ATOM 800 CB ASP A 54 2.245 -12.646 5.532 1.00 0.00 C ATOM 801 CG ASP A 54 1.620 -11.600 4.609 1.00 0.00 C ATOM 802 OD1 ASP A 54 1.978 -11.497 3.425 1.00 0.00 O ATOM 803 OD2 ASP A 54 0.715 -10.860 5.155 1.00 0.00 O ATOM 0 H ASP A 54 3.846 -12.840 7.934 1.00 0.00 H new ATOM 0 HA ASP A 54 4.343 -12.665 5.043 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.163 -13.623 5.057 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.664 -12.690 6.453 1.00 0.00 H new ATOM 809 N LEU A 55 5.063 -10.404 6.000 1.00 0.00 N ATOM 810 CA LEU A 55 5.353 -9.010 6.289 1.00 0.00 C ATOM 811 C LEU A 55 6.071 -8.386 5.092 1.00 0.00 C ATOM 812 O LEU A 55 6.818 -9.062 4.386 1.00 0.00 O ATOM 813 CB LEU A 55 6.126 -8.886 7.603 1.00 0.00 C ATOM 814 CG LEU A 55 7.248 -7.847 7.627 1.00 0.00 C ATOM 815 CD1 LEU A 55 8.405 -8.268 6.717 1.00 0.00 C ATOM 816 CD2 LEU A 55 6.716 -6.458 7.270 1.00 0.00 C ATOM 0 H LEU A 55 5.842 -10.928 5.601 1.00 0.00 H new ATOM 0 HA LEU A 55 4.429 -8.450 6.435 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.418 -8.645 8.396 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.554 -9.859 7.843 1.00 0.00 H new ATOM 0 HG LEU A 55 7.640 -7.791 8.642 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.189 -7.512 6.752 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.806 -9.223 7.056 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.045 -8.369 5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.534 -5.738 7.294 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.282 -6.480 6.270 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.953 -6.165 7.991 1.00 0.00 H new ATOM 828 N SER A 56 5.821 -7.097 4.898 1.00 0.00 N ATOM 829 CA SER A 56 6.434 -6.373 3.800 1.00 0.00 C ATOM 830 C SER A 56 7.044 -5.066 4.310 1.00 0.00 C ATOM 831 O SER A 56 6.565 -4.494 5.288 1.00 0.00 O ATOM 832 CB SER A 56 5.418 -6.087 2.692 1.00 0.00 C ATOM 833 OG SER A 56 5.959 -5.252 1.672 1.00 0.00 O ATOM 0 H SER A 56 5.202 -6.538 5.484 1.00 0.00 H new ATOM 0 HA SER A 56 7.224 -6.996 3.380 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.087 -7.028 2.252 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.538 -5.609 3.122 1.00 0.00 H new ATOM 0 HG SER A 56 5.243 -4.711 1.278 1.00 0.00 H new ATOM 839 N THR A 57 8.094 -4.632 3.624 1.00 0.00 N ATOM 840 CA THR A 57 8.773 -3.402 3.997 1.00 0.00 C ATOM 841 C THR A 57 9.141 -2.598 2.748 1.00 0.00 C ATOM 842 O THR A 57 9.330 -3.164 1.674 1.00 0.00 O ATOM 843 CB THR A 57 9.981 -3.775 4.859 1.00 0.00 C ATOM 844 OG1 THR A 57 9.880 -5.188 5.008 1.00 0.00 O ATOM 845 CG2 THR A 57 9.868 -3.239 6.288 1.00 0.00 C ATOM 0 H THR A 57 8.489 -5.110 2.814 1.00 0.00 H new ATOM 0 HA THR A 57 8.125 -2.752 4.584 1.00 0.00 H new ATOM 0 HB THR A 57 10.889 -3.388 4.397 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.626 -5.514 5.553 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.750 -3.532 6.857 1.00 0.00 H new ATOM 0 HG22 THR A 57 9.796 -2.152 6.264 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.977 -3.652 6.762 1.00 0.00 H new ATOM 853 N ALA A 58 9.230 -1.289 2.934 1.00 0.00 N ATOM 854 CA ALA A 58 9.571 -0.400 1.835 1.00 0.00 C ATOM 855 C ALA A 58 10.652 0.579 2.295 1.00 0.00 C ATOM 856 O ALA A 58 10.748 0.892 3.481 1.00 0.00 O ATOM 857 CB ALA A 58 8.309 0.313 1.344 1.00 0.00 C ATOM 0 H ALA A 58 9.072 -0.823 3.827 1.00 0.00 H new ATOM 0 HA ALA A 58 9.973 -0.965 0.994 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.565 0.979 0.520 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.584 -0.425 1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.878 0.893 2.160 1.00 0.00 H new ATOM 863 N SER A 59 11.440 1.037 1.333 1.00 0.00 N ATOM 864 CA SER A 59 12.511 1.974 1.625 1.00 0.00 C ATOM 865 C SER A 59 12.165 3.355 1.062 1.00 0.00 C ATOM 866 O SER A 59 11.157 3.515 0.377 1.00 0.00 O ATOM 867 CB SER A 59 13.842 1.485 1.051 1.00 0.00 C ATOM 868 OG SER A 59 14.504 0.582 1.932 1.00 0.00 O ATOM 0 H SER A 59 11.358 0.776 0.350 1.00 0.00 H new ATOM 0 HA SER A 59 12.618 2.046 2.707 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.665 0.994 0.094 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.489 2.340 0.856 1.00 0.00 H new ATOM 0 HG SER A 59 15.349 0.292 1.529 1.00 0.00 H new ATOM 874 N THR A 60 13.022 4.317 1.375 1.00 0.00 N ATOM 875 CA THR A 60 12.819 5.678 0.909 1.00 0.00 C ATOM 876 C THR A 60 13.798 6.005 -0.221 1.00 0.00 C ATOM 877 O THR A 60 14.924 5.513 -0.234 1.00 0.00 O ATOM 878 CB THR A 60 12.946 6.613 2.113 1.00 0.00 C ATOM 879 OG1 THR A 60 12.983 7.916 1.538 1.00 0.00 O ATOM 880 CG2 THR A 60 14.297 6.477 2.820 1.00 0.00 C ATOM 0 H THR A 60 13.857 4.181 1.945 1.00 0.00 H new ATOM 0 HA THR A 60 11.824 5.807 0.483 1.00 0.00 H new ATOM 0 HB THR A 60 12.144 6.405 2.821 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.068 8.242 1.408 1.00 0.00 H new ATOM 0 HG21 THR A 60 14.335 7.162 3.667 1.00 0.00 H new ATOM 0 HG22 THR A 60 14.420 5.454 3.175 1.00 0.00 H new ATOM 0 HG23 THR A 60 15.099 6.718 2.122 1.00 0.00 H new ATOM 888 N THR A 61 13.331 6.836 -1.143 1.00 0.00 N ATOM 889 CA THR A 61 14.150 7.236 -2.275 1.00 0.00 C ATOM 890 C THR A 61 13.967 8.727 -2.563 1.00 0.00 C ATOM 891 O THR A 61 13.012 9.341 -2.094 1.00 0.00 O ATOM 892 CB THR A 61 13.790 6.337 -3.459 1.00 0.00 C ATOM 893 OG1 THR A 61 12.417 6.018 -3.248 1.00 0.00 O ATOM 894 CG2 THR A 61 14.500 4.983 -3.405 1.00 0.00 C ATOM 0 H THR A 61 12.396 7.243 -1.129 1.00 0.00 H new ATOM 0 HA THR A 61 15.211 7.107 -2.063 1.00 0.00 H new ATOM 0 HB THR A 61 14.046 6.843 -4.389 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.044 5.622 -4.063 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.209 4.385 -4.268 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.579 5.137 -3.418 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.219 4.461 -2.490 1.00 0.00 H new ATOM 902 N GLN A 62 14.901 9.265 -3.336 1.00 0.00 N ATOM 903 CA GLN A 62 14.855 10.672 -3.694 1.00 0.00 C ATOM 904 C GLN A 62 14.495 10.832 -5.173 1.00 0.00 C ATOM 905 O GLN A 62 15.142 10.248 -6.041 1.00 0.00 O ATOM 906 CB GLN A 62 16.183 11.362 -3.376 1.00 0.00 C ATOM 907 CG GLN A 62 16.149 12.002 -1.988 1.00 0.00 C ATOM 908 CD GLN A 62 17.543 12.021 -1.357 1.00 0.00 C ATOM 909 OE1 GLN A 62 18.148 13.062 -1.156 1.00 0.00 O ATOM 910 NE2 GLN A 62 18.018 10.815 -1.059 1.00 0.00 N ATOM 0 H GLN A 62 15.693 8.752 -3.723 1.00 0.00 H new ATOM 0 HA GLN A 62 14.080 11.154 -3.097 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.995 10.637 -3.426 1.00 0.00 H new ATOM 0 HB3 GLN A 62 16.390 12.124 -4.127 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.766 13.020 -2.063 1.00 0.00 H new ATOM 0 HG3 GLN A 62 15.463 11.450 -1.346 1.00 0.00 H new ATOM 0 HE21 GLN A 62 17.459 9.984 -1.254 1.00 0.00 H new ATOM 0 HE22 GLN A 62 18.941 10.721 -0.636 1.00 0.00 H new ATOM 919 N GLU A 63 13.462 11.626 -5.415 1.00 0.00 N ATOM 920 CA GLU A 63 13.008 11.871 -6.773 1.00 0.00 C ATOM 921 C GLU A 63 12.925 13.375 -7.042 1.00 0.00 C ATOM 922 O GLU A 63 11.849 13.899 -7.328 1.00 0.00 O ATOM 923 CB GLU A 63 11.662 11.192 -7.030 1.00 0.00 C ATOM 924 CG GLU A 63 11.848 9.709 -7.357 1.00 0.00 C ATOM 925 CD GLU A 63 12.232 9.516 -8.827 1.00 0.00 C ATOM 926 OE1 GLU A 63 13.411 9.294 -9.136 1.00 0.00 O ATOM 927 OE2 GLU A 63 11.251 9.603 -9.662 1.00 0.00 O ATOM 0 H GLU A 63 12.927 12.108 -4.693 1.00 0.00 H new ATOM 0 HA GLU A 63 13.733 11.439 -7.462 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.024 11.297 -6.152 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.152 11.689 -7.856 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.622 9.286 -6.717 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.926 9.167 -7.144 1.00 0.00 H new ATOM 935 N GLY A 64 14.074 14.026 -6.943 1.00 0.00 N ATOM 936 CA GLY A 64 14.145 15.460 -7.172 1.00 0.00 C ATOM 937 C GLY A 64 13.471 16.231 -6.036 1.00 0.00 C ATOM 938 O GLY A 64 14.027 16.346 -4.944 1.00 0.00 O ATOM 0 H GLY A 64 14.964 13.587 -6.707 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.187 15.767 -7.256 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.663 15.705 -8.118 1.00 0.00 H new ATOM 942 N GLU A 65 12.283 16.737 -6.329 1.00 0.00 N ATOM 943 CA GLU A 65 11.527 17.493 -5.346 1.00 0.00 C ATOM 944 C GLU A 65 10.506 16.590 -4.651 1.00 0.00 C ATOM 945 O GLU A 65 9.785 17.034 -3.759 1.00 0.00 O ATOM 946 CB GLU A 65 10.842 18.701 -5.990 1.00 0.00 C ATOM 947 CG GLU A 65 10.337 19.677 -4.925 1.00 0.00 C ATOM 948 CD GLU A 65 11.502 20.274 -4.134 1.00 0.00 C ATOM 949 OE1 GLU A 65 12.605 20.433 -4.679 1.00 0.00 O ATOM 950 OE2 GLU A 65 11.230 20.578 -2.910 1.00 0.00 O ATOM 0 H GLU A 65 11.825 16.638 -7.235 1.00 0.00 H new ATOM 0 HA GLU A 65 12.221 17.869 -4.594 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.542 19.210 -6.652 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.008 18.365 -6.606 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.767 20.476 -5.399 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.658 19.161 -4.246 1.00 0.00 H new ATOM 958 N LEU A 66 10.478 15.338 -5.085 1.00 0.00 N ATOM 959 CA LEU A 66 9.558 14.368 -4.515 1.00 0.00 C ATOM 960 C LEU A 66 10.351 13.308 -3.748 1.00 0.00 C ATOM 961 O LEU A 66 11.578 13.376 -3.678 1.00 0.00 O ATOM 962 CB LEU A 66 8.649 13.790 -5.601 1.00 0.00 C ATOM 963 CG LEU A 66 7.728 14.788 -6.306 1.00 0.00 C ATOM 964 CD1 LEU A 66 6.737 14.067 -7.223 1.00 0.00 C ATOM 965 CD2 LEU A 66 7.018 15.689 -5.293 1.00 0.00 C ATOM 0 H LEU A 66 11.078 14.973 -5.825 1.00 0.00 H new ATOM 0 HA LEU A 66 8.893 14.849 -3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.275 13.310 -6.353 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.033 13.010 -5.154 1.00 0.00 H new ATOM 0 HG LEU A 66 8.341 15.432 -6.936 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.094 14.799 -7.712 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.284 13.503 -7.978 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.126 13.384 -6.633 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.370 16.389 -5.820 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.419 15.077 -4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.759 16.244 -4.717 1.00 0.00 H new ATOM 977 N ALA A 67 9.618 12.354 -3.193 1.00 0.00 N ATOM 978 CA ALA A 67 10.239 11.282 -2.434 1.00 0.00 C ATOM 979 C ALA A 67 9.607 9.948 -2.837 1.00 0.00 C ATOM 980 O ALA A 67 8.396 9.769 -2.719 1.00 0.00 O ATOM 981 CB ALA A 67 10.096 11.566 -0.938 1.00 0.00 C ATOM 0 H ALA A 67 8.601 12.301 -3.254 1.00 0.00 H new ATOM 0 HA ALA A 67 11.305 11.223 -2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.562 10.762 -0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.585 12.510 -0.699 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.039 11.629 -0.679 1.00 0.00 H new ATOM 987 N SER A 68 10.456 9.044 -3.303 1.00 0.00 N ATOM 988 CA SER A 68 9.998 7.731 -3.723 1.00 0.00 C ATOM 989 C SER A 68 10.105 6.742 -2.562 1.00 0.00 C ATOM 990 O SER A 68 10.546 7.104 -1.472 1.00 0.00 O ATOM 991 CB SER A 68 10.798 7.227 -4.926 1.00 0.00 C ATOM 992 OG SER A 68 10.629 5.826 -5.131 1.00 0.00 O ATOM 0 H SER A 68 11.460 9.196 -3.399 1.00 0.00 H new ATOM 0 HA SER A 68 8.954 7.814 -4.025 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.485 7.765 -5.821 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.855 7.447 -4.776 1.00 0.00 H new ATOM 0 HG SER A 68 11.154 5.543 -5.908 1.00 0.00 H new ATOM 998 N THR A 69 9.692 5.513 -2.833 1.00 0.00 N ATOM 999 CA THR A 69 9.736 4.469 -1.823 1.00 0.00 C ATOM 1000 C THR A 69 9.445 3.105 -2.454 1.00 0.00 C ATOM 1001 O THR A 69 8.486 2.959 -3.209 1.00 0.00 O ATOM 1002 CB THR A 69 8.757 4.846 -0.710 1.00 0.00 C ATOM 1003 OG1 THR A 69 9.558 5.550 0.234 1.00 0.00 O ATOM 1004 CG2 THR A 69 8.252 3.625 0.065 1.00 0.00 C ATOM 0 H THR A 69 9.325 5.216 -3.737 1.00 0.00 H new ATOM 0 HA THR A 69 10.730 4.384 -1.384 1.00 0.00 H new ATOM 0 HB THR A 69 7.909 5.380 -1.139 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.851 6.400 -0.155 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.561 3.948 0.843 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.739 2.947 -0.618 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.097 3.109 0.522 1.00 0.00 H new ATOM 1012 N GLN A 70 10.290 2.142 -2.117 1.00 0.00 N ATOM 1013 CA GLN A 70 10.135 0.794 -2.641 1.00 0.00 C ATOM 1014 C GLN A 70 9.756 -0.171 -1.517 1.00 0.00 C ATOM 1015 O GLN A 70 10.490 -0.311 -0.539 1.00 0.00 O ATOM 1016 CB GLN A 70 11.409 0.334 -3.353 1.00 0.00 C ATOM 1017 CG GLN A 70 11.082 -0.645 -4.482 1.00 0.00 C ATOM 1018 CD GLN A 70 11.144 0.047 -5.845 1.00 0.00 C ATOM 1019 OE1 GLN A 70 11.247 1.258 -5.948 1.00 0.00 O ATOM 1020 NE2 GLN A 70 11.073 -0.785 -6.878 1.00 0.00 N ATOM 0 H GLN A 70 11.084 2.267 -1.488 1.00 0.00 H new ATOM 0 HA GLN A 70 9.329 0.800 -3.375 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.936 1.198 -3.757 1.00 0.00 H new ATOM 0 HB3 GLN A 70 12.079 -0.142 -2.637 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.785 -1.478 -4.461 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.088 -1.064 -4.328 1.00 0.00 H new ATOM 0 HE21 GLN A 70 10.988 -1.789 -6.719 1.00 0.00 H new ATOM 0 HE22 GLN A 70 11.104 -0.420 -7.830 1.00 0.00 H new ATOM 1029 N SER A 71 8.609 -0.812 -1.693 1.00 0.00 N ATOM 1030 CA SER A 71 8.124 -1.761 -0.705 1.00 0.00 C ATOM 1031 C SER A 71 8.190 -3.183 -1.268 1.00 0.00 C ATOM 1032 O SER A 71 7.995 -3.389 -2.465 1.00 0.00 O ATOM 1033 CB SER A 71 6.693 -1.427 -0.278 1.00 0.00 C ATOM 1034 OG SER A 71 6.398 -0.040 -0.438 1.00 0.00 O ATOM 0 H SER A 71 8.002 -0.693 -2.504 1.00 0.00 H new ATOM 0 HA SER A 71 8.763 -1.695 0.175 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.992 -2.017 -0.868 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.550 -1.710 0.765 1.00 0.00 H new ATOM 0 HG SER A 71 6.330 0.172 -1.392 1.00 0.00 H new ATOM 1040 N GLU A 72 8.465 -4.124 -0.378 1.00 0.00 N ATOM 1041 CA GLU A 72 8.560 -5.520 -0.770 1.00 0.00 C ATOM 1042 C GLU A 72 7.830 -6.406 0.239 1.00 0.00 C ATOM 1043 O GLU A 72 8.001 -6.249 1.448 1.00 0.00 O ATOM 1044 CB GLU A 72 10.021 -5.948 -0.921 1.00 0.00 C ATOM 1045 CG GLU A 72 10.969 -4.827 -0.492 1.00 0.00 C ATOM 1046 CD GLU A 72 11.168 -4.828 1.025 1.00 0.00 C ATOM 1047 OE1 GLU A 72 10.588 -5.669 1.727 1.00 0.00 O ATOM 1048 OE2 GLU A 72 11.958 -3.912 1.471 1.00 0.00 O ATOM 0 H GLU A 72 8.625 -3.948 0.614 1.00 0.00 H new ATOM 0 HA GLU A 72 8.079 -5.638 -1.741 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.207 -6.837 -0.318 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.219 -6.219 -1.958 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.931 -4.950 -0.989 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.567 -3.865 -0.809 1.00 0.00 H new ATOM 1056 N LEU A 73 7.029 -7.319 -0.292 1.00 0.00 N ATOM 1057 CA LEU A 73 6.271 -8.231 0.549 1.00 0.00 C ATOM 1058 C LEU A 73 6.847 -9.641 0.413 1.00 0.00 C ATOM 1059 O LEU A 73 7.289 -10.032 -0.666 1.00 0.00 O ATOM 1060 CB LEU A 73 4.778 -8.142 0.225 1.00 0.00 C ATOM 1061 CG LEU A 73 3.888 -9.203 0.874 1.00 0.00 C ATOM 1062 CD1 LEU A 73 4.380 -10.612 0.536 1.00 0.00 C ATOM 1063 CD2 LEU A 73 3.779 -8.980 2.384 1.00 0.00 C ATOM 0 H LEU A 73 6.888 -7.447 -1.294 1.00 0.00 H new ATOM 0 HA LEU A 73 6.364 -7.949 1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.418 -7.159 0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.656 -8.206 -0.856 1.00 0.00 H new ATOM 0 HG LEU A 73 2.884 -9.105 0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.730 -11.348 1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.362 -10.754 -0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.399 -10.739 0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.141 -9.748 2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.771 -9.035 2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.348 -7.998 2.577 1.00 0.00 H new ATOM 1075 N THR A 74 6.825 -10.365 1.522 1.00 0.00 N ATOM 1076 CA THR A 74 7.339 -11.724 1.540 1.00 0.00 C ATOM 1077 C THR A 74 6.490 -12.603 2.459 1.00 0.00 C ATOM 1078 O THR A 74 6.321 -12.295 3.637 1.00 0.00 O ATOM 1079 CB THR A 74 8.813 -11.666 1.945 1.00 0.00 C ATOM 1080 OG1 THR A 74 9.136 -13.013 2.278 1.00 0.00 O ATOM 1081 CG2 THR A 74 9.030 -10.898 3.251 1.00 0.00 C ATOM 0 H THR A 74 6.459 -10.036 2.415 1.00 0.00 H new ATOM 0 HA THR A 74 7.276 -12.184 0.554 1.00 0.00 H new ATOM 0 HB THR A 74 9.390 -11.199 1.147 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.076 -13.066 2.551 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.093 -10.886 3.494 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.673 -9.875 3.135 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.479 -11.385 4.056 1.00 0.00 H new ATOM 1089 N LEU A 75 5.979 -13.682 1.886 1.00 0.00 N ATOM 1090 CA LEU A 75 5.152 -14.610 2.638 1.00 0.00 C ATOM 1091 C LEU A 75 5.198 -15.985 1.972 1.00 0.00 C ATOM 1092 O LEU A 75 5.597 -16.105 0.813 1.00 0.00 O ATOM 1093 CB LEU A 75 3.735 -14.053 2.801 1.00 0.00 C ATOM 1094 CG LEU A 75 2.665 -14.667 1.898 1.00 0.00 C ATOM 1095 CD1 LEU A 75 1.907 -15.781 2.625 1.00 0.00 C ATOM 1096 CD2 LEU A 75 1.720 -13.591 1.357 1.00 0.00 C ATOM 0 H LEU A 75 6.122 -13.935 0.908 1.00 0.00 H new ATOM 0 HA LEU A 75 5.541 -14.733 3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.429 -14.190 3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.765 -12.979 2.617 1.00 0.00 H new ATOM 0 HG LEU A 75 3.162 -15.121 1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.152 -16.201 1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.606 -16.564 2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.423 -15.373 3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.969 -14.055 0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.228 -13.087 2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.290 -12.864 0.779 1.00 0.00 H new ATOM 1108 N SER A 76 4.783 -16.989 2.730 1.00 0.00 N ATOM 1109 CA SER A 76 4.772 -18.352 2.228 1.00 0.00 C ATOM 1110 C SER A 76 3.574 -18.560 1.301 1.00 0.00 C ATOM 1111 O SER A 76 2.458 -18.154 1.625 1.00 0.00 O ATOM 1112 CB SER A 76 4.737 -19.364 3.375 1.00 0.00 C ATOM 1113 OG SER A 76 5.380 -20.588 3.029 1.00 0.00 O ATOM 0 H SER A 76 4.452 -16.885 3.689 1.00 0.00 H new ATOM 0 HA SER A 76 5.691 -18.514 1.665 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.223 -18.935 4.252 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.701 -19.564 3.650 1.00 0.00 H new ATOM 0 HG SER A 76 5.337 -21.206 3.788 1.00 0.00 H new ATOM 1119 N GLN A 77 3.844 -19.189 0.168 1.00 0.00 N ATOM 1120 CA GLN A 77 2.800 -19.454 -0.808 1.00 0.00 C ATOM 1121 C GLN A 77 1.724 -20.359 -0.203 1.00 0.00 C ATOM 1122 O GLN A 77 0.547 -20.240 -0.539 1.00 0.00 O ATOM 1123 CB GLN A 77 3.383 -20.073 -2.081 1.00 0.00 C ATOM 1124 CG GLN A 77 2.287 -20.328 -3.117 1.00 0.00 C ATOM 1125 CD GLN A 77 2.268 -19.226 -4.178 1.00 0.00 C ATOM 1126 OE1 GLN A 77 3.290 -18.816 -4.705 1.00 0.00 O ATOM 1127 NE2 GLN A 77 1.051 -18.770 -4.463 1.00 0.00 N ATOM 0 H GLN A 77 4.771 -19.523 -0.097 1.00 0.00 H new ATOM 0 HA GLN A 77 2.338 -18.506 -1.082 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.138 -19.408 -2.501 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.884 -21.010 -1.838 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.450 -21.294 -3.594 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.317 -20.377 -2.621 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.237 -19.156 -3.985 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.932 -18.034 -5.159 1.00 0.00 H new ATOM 1136 N LYS A 78 2.167 -21.243 0.679 1.00 0.00 N ATOM 1137 CA LYS A 78 1.256 -22.167 1.335 1.00 0.00 C ATOM 1138 C LYS A 78 0.111 -21.381 1.975 1.00 0.00 C ATOM 1139 O LYS A 78 -1.058 -21.662 1.718 1.00 0.00 O ATOM 1140 CB LYS A 78 2.016 -23.057 2.321 1.00 0.00 C ATOM 1141 CG LYS A 78 1.625 -24.527 2.145 1.00 0.00 C ATOM 1142 CD LYS A 78 2.509 -25.436 3.002 1.00 0.00 C ATOM 1143 CE LYS A 78 2.179 -26.910 2.757 1.00 0.00 C ATOM 1144 NZ LYS A 78 3.017 -27.777 3.615 1.00 0.00 N ATOM 0 H LYS A 78 3.144 -21.339 0.955 1.00 0.00 H new ATOM 0 HA LYS A 78 0.810 -22.844 0.606 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.089 -22.941 2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.803 -22.740 3.342 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.580 -24.665 2.422 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.717 -24.808 1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.558 -25.251 2.772 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.367 -25.198 4.056 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.125 -27.092 2.965 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.345 -27.157 1.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.781 -28.774 3.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.021 -27.615 3.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.839 -27.552 4.615 1.00 0.00 H new ATOM 1158 N HIS A 79 0.488 -20.409 2.794 1.00 0.00 N ATOM 1159 CA HIS A 79 -0.495 -19.579 3.471 1.00 0.00 C ATOM 1160 C HIS A 79 -1.461 -18.985 2.444 1.00 0.00 C ATOM 1161 O HIS A 79 -2.666 -18.928 2.682 1.00 0.00 O ATOM 1162 CB HIS A 79 0.193 -18.511 4.324 1.00 0.00 C ATOM 1163 CG HIS A 79 0.799 -19.043 5.602 1.00 0.00 C ATOM 1164 ND1 HIS A 79 0.481 -18.540 6.851 1.00 0.00 N ATOM 1165 CD2 HIS A 79 1.708 -20.040 5.810 1.00 0.00 C ATOM 1166 CE1 HIS A 79 1.172 -19.210 7.761 1.00 0.00 C ATOM 1167 NE2 HIS A 79 1.931 -20.139 7.114 1.00 0.00 N ATOM 0 H HIS A 79 1.459 -20.178 3.004 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.081 -20.190 4.158 1.00 0.00 H new ATOM 0 HB2 HIS A 79 0.976 -18.037 3.732 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -0.532 -17.736 4.573 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.168 -20.646 5.043 1.00 0.00 H new ATOM 0 HE1 HIS A 79 1.140 -19.049 8.828 1.00 0.00 H new ATOM 0 HE2 HIS A 79 2.566 -20.801 7.559 1.00 0.00 H new ATOM 1175 N TRP A 80 -0.895 -18.558 1.325 1.00 0.00 N ATOM 1176 CA TRP A 80 -1.691 -17.970 0.261 1.00 0.00 C ATOM 1177 C TRP A 80 -2.718 -19.011 -0.191 1.00 0.00 C ATOM 1178 O TRP A 80 -3.861 -18.671 -0.494 1.00 0.00 O ATOM 1179 CB TRP A 80 -0.801 -17.474 -0.880 1.00 0.00 C ATOM 1180 CG TRP A 80 -1.572 -16.843 -2.041 1.00 0.00 C ATOM 1181 CD1 TRP A 80 -2.390 -17.446 -2.913 1.00 0.00 C ATOM 1182 CD2 TRP A 80 -1.564 -15.449 -2.423 1.00 0.00 C ATOM 1183 NE1 TRP A 80 -2.907 -16.549 -3.826 1.00 0.00 N ATOM 1184 CE2 TRP A 80 -2.388 -15.297 -3.517 1.00 0.00 C ATOM 1185 CE3 TRP A 80 -0.880 -14.357 -1.860 1.00 0.00 C ATOM 1186 CZ2 TRP A 80 -2.607 -14.064 -4.145 1.00 0.00 C ATOM 1187 CZ3 TRP A 80 -1.110 -13.132 -2.499 1.00 0.00 C ATOM 1188 CH2 TRP A 80 -1.939 -12.962 -3.603 1.00 0.00 C ATOM 0 H TRP A 80 0.105 -18.607 1.132 1.00 0.00 H new ATOM 0 HA TRP A 80 -2.223 -17.088 0.619 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -0.096 -16.742 -0.485 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -0.214 -18.310 -1.259 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -2.617 -18.502 -2.903 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -3.551 -16.765 -4.587 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -0.229 -14.455 -1.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -3.257 -13.970 -5.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -0.609 -12.259 -2.107 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.066 -11.982 -4.040 1.00 0.00 H new ATOM 1199 N LEU A 81 -2.274 -20.259 -0.223 1.00 0.00 N ATOM 1200 CA LEU A 81 -3.139 -21.351 -0.633 1.00 0.00 C ATOM 1201 C LEU A 81 -4.375 -21.382 0.267 1.00 0.00 C ATOM 1202 O LEU A 81 -5.488 -21.605 -0.207 1.00 0.00 O ATOM 1203 CB LEU A 81 -2.363 -22.670 -0.657 1.00 0.00 C ATOM 1204 CG LEU A 81 -2.729 -23.643 -1.780 1.00 0.00 C ATOM 1205 CD1 LEU A 81 -1.627 -24.684 -1.985 1.00 0.00 C ATOM 1206 CD2 LEU A 81 -4.090 -24.294 -1.519 1.00 0.00 C ATOM 0 H LEU A 81 -1.326 -20.538 0.029 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.490 -21.196 -1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.300 -22.442 -0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.513 -23.175 0.297 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.814 -23.077 -2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.913 -25.363 -2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.696 -24.182 -2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.486 -25.251 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.327 -24.981 -2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.056 -24.843 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.857 -23.522 -1.461 1.00 0.00 H new ATOM 1218 N SER A 82 -4.139 -21.155 1.551 1.00 0.00 N ATOM 1219 CA SER A 82 -5.220 -21.154 2.522 1.00 0.00 C ATOM 1220 C SER A 82 -6.001 -19.842 2.435 1.00 0.00 C ATOM 1221 O SER A 82 -6.883 -19.584 3.254 1.00 0.00 O ATOM 1222 CB SER A 82 -4.687 -21.360 3.941 1.00 0.00 C ATOM 1223 OG SER A 82 -5.612 -22.065 4.764 1.00 0.00 O ATOM 0 H SER A 82 -3.215 -20.970 1.941 1.00 0.00 H new ATOM 0 HA SER A 82 -5.888 -21.984 2.290 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.747 -21.911 3.898 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.468 -20.391 4.390 1.00 0.00 H new ATOM 0 HG SER A 82 -5.233 -22.177 5.661 1.00 0.00 H new ATOM 1229 N ASP A 83 -5.651 -19.047 1.435 1.00 0.00 N ATOM 1230 CA ASP A 83 -6.308 -17.767 1.230 1.00 0.00 C ATOM 1231 C ASP A 83 -5.935 -16.819 2.372 1.00 0.00 C ATOM 1232 O ASP A 83 -5.709 -17.258 3.497 1.00 0.00 O ATOM 1233 CB ASP A 83 -7.829 -17.924 1.222 1.00 0.00 C ATOM 1234 CG ASP A 83 -8.603 -16.766 1.854 1.00 0.00 C ATOM 1235 OD1 ASP A 83 -8.363 -16.394 3.012 1.00 0.00 O ATOM 1236 OD2 ASP A 83 -9.496 -16.228 1.093 1.00 0.00 O ATOM 0 H ASP A 83 -4.920 -19.264 0.757 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.982 -17.370 0.268 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.161 -18.043 0.191 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.087 -18.843 1.748 1.00 0.00 H new ATOM 1242 N ARG A 84 -5.885 -15.538 2.041 1.00 0.00 N ATOM 1243 CA ARG A 84 -5.546 -14.524 3.026 1.00 0.00 C ATOM 1244 C ARG A 84 -5.831 -13.127 2.469 1.00 0.00 C ATOM 1245 O ARG A 84 -6.356 -12.990 1.364 1.00 0.00 O ATOM 1246 CB ARG A 84 -4.070 -14.615 3.423 1.00 0.00 C ATOM 1247 CG ARG A 84 -3.902 -15.400 4.725 1.00 0.00 C ATOM 1248 CD ARG A 84 -2.805 -16.458 4.588 1.00 0.00 C ATOM 1249 NE ARG A 84 -1.968 -16.482 5.809 1.00 0.00 N ATOM 1250 CZ ARG A 84 -0.940 -15.636 6.038 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -0.613 -14.693 5.129 1.00 0.00 N ATOM 1252 NH2 ARG A 84 -0.261 -15.747 7.164 1.00 0.00 N ATOM 0 H ARG A 84 -6.073 -15.178 1.105 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.161 -14.700 3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.504 -15.099 2.627 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -3.659 -13.613 3.543 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.654 -14.716 5.537 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.844 -15.880 4.989 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.252 -17.438 4.425 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.186 -16.241 3.717 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.181 -17.180 6.521 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.144 -14.615 4.261 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.165 -14.058 5.310 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.515 -16.463 7.845 1.00 0.00 H new ATOM 0 HH22 ARG A 84 0.518 -15.117 7.354 1.00 0.00 H new ATOM 1266 N THR A 85 -5.473 -12.125 3.260 1.00 0.00 N ATOM 1267 CA THR A 85 -5.686 -10.745 2.860 1.00 0.00 C ATOM 1268 C THR A 85 -4.411 -9.926 3.075 1.00 0.00 C ATOM 1269 O THR A 85 -4.120 -9.505 4.194 1.00 0.00 O ATOM 1270 CB THR A 85 -6.890 -10.208 3.636 1.00 0.00 C ATOM 1271 OG1 THR A 85 -7.994 -10.436 2.764 1.00 0.00 O ATOM 1272 CG2 THR A 85 -6.852 -8.686 3.798 1.00 0.00 C ATOM 0 H THR A 85 -5.037 -12.242 4.175 1.00 0.00 H new ATOM 0 HA THR A 85 -5.908 -10.671 1.795 1.00 0.00 H new ATOM 0 HB THR A 85 -6.926 -10.677 4.619 1.00 0.00 H new ATOM 0 HG1 THR A 85 -8.818 -10.119 3.189 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.729 -8.357 4.356 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.950 -8.400 4.339 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.850 -8.215 2.815 1.00 0.00 H new ATOM 1280 N TYR A 86 -3.683 -9.726 1.984 1.00 0.00 N ATOM 1281 CA TYR A 86 -2.446 -8.965 2.040 1.00 0.00 C ATOM 1282 C TYR A 86 -2.603 -7.613 1.344 1.00 0.00 C ATOM 1283 O TYR A 86 -2.928 -7.556 0.158 1.00 0.00 O ATOM 1284 CB TYR A 86 -1.406 -9.796 1.287 1.00 0.00 C ATOM 1285 CG TYR A 86 -1.970 -11.068 0.648 1.00 0.00 C ATOM 1286 CD1 TYR A 86 -2.800 -10.979 -0.451 1.00 0.00 C ATOM 1287 CD2 TYR A 86 -1.648 -12.304 1.172 1.00 0.00 C ATOM 1288 CE1 TYR A 86 -3.330 -12.174 -1.052 1.00 0.00 C ATOM 1289 CE2 TYR A 86 -2.178 -13.502 0.570 1.00 0.00 C ATOM 1290 CZ TYR A 86 -2.993 -13.377 -0.511 1.00 0.00 C ATOM 1291 OH TYR A 86 -3.493 -14.507 -1.081 1.00 0.00 O ATOM 0 H TYR A 86 -3.926 -10.078 1.058 1.00 0.00 H new ATOM 0 HA TYR A 86 -2.159 -8.774 3.074 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -0.957 -9.179 0.509 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.607 -10.071 1.976 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.052 -10.012 -0.860 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.999 -12.373 2.033 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.980 -12.118 -1.913 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.933 -14.476 0.968 1.00 0.00 H new ATOM 0 HH TYR A 86 -3.033 -14.676 -1.930 1.00 0.00 H new ATOM 1301 N THR A 87 -2.364 -6.559 2.107 1.00 0.00 N ATOM 1302 CA THR A 87 -2.474 -5.209 1.578 1.00 0.00 C ATOM 1303 C THR A 87 -1.336 -4.334 2.108 1.00 0.00 C ATOM 1304 O THR A 87 -1.059 -4.327 3.305 1.00 0.00 O ATOM 1305 CB THR A 87 -3.864 -4.676 1.930 1.00 0.00 C ATOM 1306 OG1 THR A 87 -4.687 -5.839 1.948 1.00 0.00 O ATOM 1307 CG2 THR A 87 -4.461 -3.814 0.814 1.00 0.00 C ATOM 0 H THR A 87 -2.094 -6.611 3.089 1.00 0.00 H new ATOM 0 HA THR A 87 -2.371 -5.200 0.493 1.00 0.00 H new ATOM 0 HB THR A 87 -3.807 -4.092 2.849 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.607 -5.585 2.170 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.447 -3.461 1.115 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.811 -2.959 0.628 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.550 -4.407 -0.096 1.00 0.00 H new ATOM 1315 N CYS A 88 -0.707 -3.617 1.186 1.00 0.00 N ATOM 1316 CA CYS A 88 0.394 -2.742 1.544 1.00 0.00 C ATOM 1317 C CYS A 88 -0.178 -1.363 1.882 1.00 0.00 C ATOM 1318 O CYS A 88 -0.417 -0.551 0.990 1.00 0.00 O ATOM 1319 CB CYS A 88 1.443 -2.666 0.432 1.00 0.00 C ATOM 1320 SG CYS A 88 0.865 -1.880 -1.116 1.00 0.00 S ATOM 0 H CYS A 88 -0.940 -3.626 0.193 1.00 0.00 H new ATOM 0 HA CYS A 88 0.911 -3.144 2.415 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.306 -2.113 0.803 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.785 -3.676 0.205 1.00 0.00 H new ATOM 1325 N GLN A 89 -0.380 -1.141 3.172 1.00 0.00 N ATOM 1326 CA GLN A 89 -0.919 0.124 3.639 1.00 0.00 C ATOM 1327 C GLN A 89 0.210 1.122 3.892 1.00 0.00 C ATOM 1328 O GLN A 89 0.894 1.046 4.912 1.00 0.00 O ATOM 1329 CB GLN A 89 -1.771 -0.072 4.896 1.00 0.00 C ATOM 1330 CG GLN A 89 -2.204 1.273 5.481 1.00 0.00 C ATOM 1331 CD GLN A 89 -2.030 1.292 7.001 1.00 0.00 C ATOM 1332 OE1 GLN A 89 -2.838 0.768 7.750 1.00 0.00 O ATOM 1333 NE2 GLN A 89 -0.933 1.921 7.413 1.00 0.00 N ATOM 0 H GLN A 89 -0.180 -1.817 3.909 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.567 0.529 2.861 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -2.651 -0.667 4.654 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.204 -0.631 5.641 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.615 2.074 5.034 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -3.247 1.465 5.228 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -0.298 2.338 6.732 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -0.727 1.986 8.410 1.00 0.00 H new ATOM 1342 N VAL A 90 0.373 2.036 2.948 1.00 0.00 N ATOM 1343 CA VAL A 90 1.410 3.049 3.057 1.00 0.00 C ATOM 1344 C VAL A 90 0.821 4.309 3.693 1.00 0.00 C ATOM 1345 O VAL A 90 -0.245 4.772 3.289 1.00 0.00 O ATOM 1346 CB VAL A 90 2.034 3.309 1.683 1.00 0.00 C ATOM 1347 CG1 VAL A 90 2.848 4.603 1.688 1.00 0.00 C ATOM 1348 CG2 VAL A 90 2.892 2.122 1.239 1.00 0.00 C ATOM 0 H VAL A 90 -0.196 2.097 2.103 1.00 0.00 H new ATOM 0 HA VAL A 90 2.215 2.703 3.705 1.00 0.00 H new ATOM 0 HB VAL A 90 1.225 3.426 0.962 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.281 4.765 0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.198 5.441 1.941 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.647 4.528 2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.324 2.331 0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.692 1.961 1.962 1.00 0.00 H new ATOM 0 HG23 VAL A 90 2.272 1.228 1.178 1.00 0.00 H new ATOM 1358 N THR A 91 1.540 4.829 4.678 1.00 0.00 N ATOM 1359 CA THR A 91 1.101 6.025 5.374 1.00 0.00 C ATOM 1360 C THR A 91 1.870 7.248 4.867 1.00 0.00 C ATOM 1361 O THR A 91 2.910 7.109 4.227 1.00 0.00 O ATOM 1362 CB THR A 91 1.265 5.786 6.876 1.00 0.00 C ATOM 1363 OG1 THR A 91 -0.059 5.899 7.391 1.00 0.00 O ATOM 1364 CG2 THR A 91 2.033 6.913 7.570 1.00 0.00 C ATOM 0 H THR A 91 2.424 4.443 5.010 1.00 0.00 H new ATOM 0 HA THR A 91 0.050 6.234 5.176 1.00 0.00 H new ATOM 0 HB THR A 91 1.784 4.841 7.038 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.046 5.756 8.360 1.00 0.00 H new ATOM 0 HG21 THR A 91 2.120 6.692 8.634 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.028 6.997 7.134 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.498 7.853 7.437 1.00 0.00 H new ATOM 1372 N TYR A 92 1.326 8.417 5.175 1.00 0.00 N ATOM 1373 CA TYR A 92 1.947 9.663 4.757 1.00 0.00 C ATOM 1374 C TYR A 92 1.760 10.750 5.818 1.00 0.00 C ATOM 1375 O TYR A 92 0.741 10.783 6.505 1.00 0.00 O ATOM 1376 CB TYR A 92 1.225 10.086 3.476 1.00 0.00 C ATOM 1377 CG TYR A 92 1.303 9.057 2.348 1.00 0.00 C ATOM 1378 CD1 TYR A 92 0.719 7.815 2.505 1.00 0.00 C ATOM 1379 CD2 TYR A 92 1.958 9.368 1.174 1.00 0.00 C ATOM 1380 CE1 TYR A 92 0.791 6.846 1.442 1.00 0.00 C ATOM 1381 CE2 TYR A 92 2.031 8.397 0.112 1.00 0.00 C ATOM 1382 CZ TYR A 92 1.445 7.185 0.299 1.00 0.00 C ATOM 1383 OH TYR A 92 1.514 6.269 -0.704 1.00 0.00 O ATOM 0 H TYR A 92 0.463 8.527 5.708 1.00 0.00 H new ATOM 0 HA TYR A 92 3.018 9.527 4.606 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.177 10.276 3.708 1.00 0.00 H new ATOM 0 HB3 TYR A 92 1.650 11.027 3.126 1.00 0.00 H new ATOM 0 HD1 TYR A 92 0.208 7.571 3.425 1.00 0.00 H new ATOM 0 HD2 TYR A 92 2.416 10.339 1.051 1.00 0.00 H new ATOM 0 HE1 TYR A 92 0.336 5.872 1.550 1.00 0.00 H new ATOM 0 HE2 TYR A 92 2.540 8.627 -0.812 1.00 0.00 H new ATOM 0 HH TYR A 92 1.234 6.685 -1.546 1.00 0.00 H new ATOM 1393 N GLN A 93 2.761 11.614 5.917 1.00 0.00 N ATOM 1394 CA GLN A 93 2.719 12.699 6.882 1.00 0.00 C ATOM 1395 C GLN A 93 1.583 13.666 6.545 1.00 0.00 C ATOM 1396 O GLN A 93 1.303 14.591 7.305 1.00 0.00 O ATOM 1397 CB GLN A 93 4.061 13.430 6.943 1.00 0.00 C ATOM 1398 CG GLN A 93 5.203 12.518 6.487 1.00 0.00 C ATOM 1399 CD GLN A 93 6.519 12.908 7.164 1.00 0.00 C ATOM 1400 OE1 GLN A 93 6.593 13.847 7.941 1.00 0.00 O ATOM 1401 NE2 GLN A 93 7.549 12.135 6.830 1.00 0.00 N ATOM 0 H GLN A 93 3.605 11.584 5.345 1.00 0.00 H new ATOM 0 HA GLN A 93 2.528 12.275 7.868 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.025 14.317 6.311 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.248 13.771 7.961 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.962 11.481 6.723 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.314 12.581 5.405 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.417 11.366 6.173 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.470 12.312 7.231 1.00 0.00 H new ATOM 1410 N GLY A 94 0.958 13.420 5.402 1.00 0.00 N ATOM 1411 CA GLY A 94 -0.142 14.256 4.956 1.00 0.00 C ATOM 1412 C GLY A 94 -1.453 13.469 4.924 1.00 0.00 C ATOM 1413 O GLY A 94 -2.534 14.054 4.952 1.00 0.00 O ATOM 0 H GLY A 94 1.193 12.653 4.772 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.245 15.113 5.622 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.075 14.648 3.962 1.00 0.00 H new ATOM 1417 N HIS A 95 -1.315 12.152 4.867 1.00 0.00 N ATOM 1418 CA HIS A 95 -2.476 11.278 4.833 1.00 0.00 C ATOM 1419 C HIS A 95 -2.020 9.818 4.891 1.00 0.00 C ATOM 1420 O HIS A 95 -0.916 9.526 5.348 1.00 0.00 O ATOM 1421 CB HIS A 95 -3.346 11.580 3.611 1.00 0.00 C ATOM 1422 CG HIS A 95 -4.825 11.394 3.851 1.00 0.00 C ATOM 1423 ND1 HIS A 95 -5.570 12.252 4.640 1.00 0.00 N ATOM 1424 CD2 HIS A 95 -5.690 10.443 3.394 1.00 0.00 C ATOM 1425 CE1 HIS A 95 -6.824 11.828 4.654 1.00 0.00 C ATOM 1426 NE2 HIS A 95 -6.897 10.706 3.881 1.00 0.00 N ATOM 0 H HIS A 95 -0.417 11.669 4.844 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.102 11.462 5.706 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -3.166 12.607 3.294 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -3.037 10.934 2.789 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -5.436 9.617 2.746 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -7.645 12.289 5.184 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -7.740 10.159 3.706 1.00 0.00 H new ATOM 1434 N THR A 96 -2.895 8.940 4.422 1.00 0.00 N ATOM 1435 CA THR A 96 -2.597 7.518 4.417 1.00 0.00 C ATOM 1436 C THR A 96 -3.312 6.828 3.253 1.00 0.00 C ATOM 1437 O THR A 96 -4.225 7.397 2.656 1.00 0.00 O ATOM 1438 CB THR A 96 -2.976 6.950 5.786 1.00 0.00 C ATOM 1439 OG1 THR A 96 -2.513 5.602 5.742 1.00 0.00 O ATOM 1440 CG2 THR A 96 -4.490 6.818 5.966 1.00 0.00 C ATOM 0 H THR A 96 -3.810 9.186 4.043 1.00 0.00 H new ATOM 0 HA THR A 96 -1.534 7.337 4.258 1.00 0.00 H new ATOM 0 HB THR A 96 -2.572 7.590 6.570 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.690 5.522 6.267 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.705 6.410 6.954 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.955 7.799 5.869 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.890 6.150 5.203 1.00 0.00 H new ATOM 1448 N PHE A 97 -2.870 5.614 2.965 1.00 0.00 N ATOM 1449 CA PHE A 97 -3.457 4.842 1.884 1.00 0.00 C ATOM 1450 C PHE A 97 -2.988 3.384 1.934 1.00 0.00 C ATOM 1451 O PHE A 97 -2.021 3.064 2.621 1.00 0.00 O ATOM 1452 CB PHE A 97 -2.982 5.473 0.573 1.00 0.00 C ATOM 1453 CG PHE A 97 -3.553 4.806 -0.681 1.00 0.00 C ATOM 1454 CD1 PHE A 97 -2.957 3.696 -1.193 1.00 0.00 C ATOM 1455 CD2 PHE A 97 -4.655 5.327 -1.284 1.00 0.00 C ATOM 1456 CE1 PHE A 97 -3.487 3.079 -2.357 1.00 0.00 C ATOM 1457 CE2 PHE A 97 -5.184 4.709 -2.447 1.00 0.00 C ATOM 1458 CZ PHE A 97 -4.589 3.599 -2.959 1.00 0.00 C ATOM 0 H PHE A 97 -2.112 5.145 3.461 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.544 4.850 1.969 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.257 6.528 0.569 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.894 5.427 0.533 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.081 3.284 -0.714 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -5.127 6.210 -0.878 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.015 2.197 -2.764 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -6.060 5.121 -2.926 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.992 3.130 -3.844 1.00 0.00 H new ATOM 1468 N GLU A 98 -3.697 2.542 1.195 1.00 0.00 N ATOM 1469 CA GLU A 98 -3.365 1.129 1.145 1.00 0.00 C ATOM 1470 C GLU A 98 -3.894 0.503 -0.147 1.00 0.00 C ATOM 1471 O GLU A 98 -4.942 0.904 -0.649 1.00 0.00 O ATOM 1472 CB GLU A 98 -3.911 0.396 2.373 1.00 0.00 C ATOM 1473 CG GLU A 98 -3.586 -1.098 2.308 1.00 0.00 C ATOM 1474 CD GLU A 98 -4.432 -1.887 3.310 1.00 0.00 C ATOM 1475 OE1 GLU A 98 -3.891 -2.441 4.279 1.00 0.00 O ATOM 1476 OE2 GLU A 98 -5.695 -1.913 3.054 1.00 0.00 O ATOM 0 H GLU A 98 -4.500 2.812 0.626 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.280 1.030 1.154 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.483 0.826 3.278 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.990 0.535 2.434 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.769 -1.470 1.300 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -2.528 -1.253 2.518 1.00 0.00 H new ATOM 1484 N ASP A 99 -3.144 -0.467 -0.646 1.00 0.00 N ATOM 1485 CA ASP A 99 -3.524 -1.151 -1.872 1.00 0.00 C ATOM 1486 C ASP A 99 -2.801 -2.496 -1.945 1.00 0.00 C ATOM 1487 O ASP A 99 -1.585 -2.562 -1.769 1.00 0.00 O ATOM 1488 CB ASP A 99 -3.130 -0.334 -3.104 1.00 0.00 C ATOM 1489 CG ASP A 99 -4.262 0.489 -3.722 1.00 0.00 C ATOM 1490 OD1 ASP A 99 -5.406 0.465 -3.242 1.00 0.00 O ATOM 1491 OD2 ASP A 99 -3.925 1.190 -4.753 1.00 0.00 O ATOM 0 H ASP A 99 -2.275 -0.796 -0.225 1.00 0.00 H new ATOM 0 HA ASP A 99 -4.605 -1.287 -1.861 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -2.318 0.340 -2.830 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -2.739 -1.013 -3.862 1.00 0.00 H new ATOM 1497 N SER A 100 -3.579 -3.537 -2.206 1.00 0.00 N ATOM 1498 CA SER A 100 -3.026 -4.877 -2.305 1.00 0.00 C ATOM 1499 C SER A 100 -4.086 -5.843 -2.837 1.00 0.00 C ATOM 1500 O SER A 100 -4.957 -5.448 -3.610 1.00 0.00 O ATOM 1501 CB SER A 100 -2.502 -5.358 -0.951 1.00 0.00 C ATOM 1502 OG SER A 100 -1.494 -6.358 -1.090 1.00 0.00 O ATOM 0 H SER A 100 -4.587 -3.479 -2.352 1.00 0.00 H new ATOM 0 HA SER A 100 -2.187 -4.850 -3.000 1.00 0.00 H new ATOM 0 HB2 SER A 100 -2.097 -4.511 -0.398 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.329 -5.757 -0.364 1.00 0.00 H new ATOM 0 HG SER A 100 -1.860 -7.230 -0.831 1.00 0.00 H new ATOM 1508 N THR A 101 -3.978 -7.089 -2.401 1.00 0.00 N ATOM 1509 CA THR A 101 -4.918 -8.114 -2.825 1.00 0.00 C ATOM 1510 C THR A 101 -5.405 -8.922 -1.620 1.00 0.00 C ATOM 1511 O THR A 101 -5.027 -8.637 -0.485 1.00 0.00 O ATOM 1512 CB THR A 101 -4.235 -8.969 -3.893 1.00 0.00 C ATOM 1513 OG1 THR A 101 -5.182 -9.997 -4.174 1.00 0.00 O ATOM 1514 CG2 THR A 101 -3.017 -9.721 -3.352 1.00 0.00 C ATOM 0 H THR A 101 -3.255 -7.413 -1.759 1.00 0.00 H new ATOM 0 HA THR A 101 -5.813 -7.673 -3.264 1.00 0.00 H new ATOM 0 HB THR A 101 -3.929 -8.334 -4.724 1.00 0.00 H new ATOM 0 HG1 THR A 101 -4.710 -10.837 -4.351 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.570 -10.312 -4.151 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.285 -9.006 -2.977 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.327 -10.381 -2.542 1.00 0.00 H new ATOM 1522 N LYS A 102 -6.235 -9.913 -1.909 1.00 0.00 N ATOM 1523 CA LYS A 102 -6.778 -10.763 -0.863 1.00 0.00 C ATOM 1524 C LYS A 102 -7.077 -12.148 -1.442 1.00 0.00 C ATOM 1525 O LYS A 102 -6.641 -12.471 -2.545 1.00 0.00 O ATOM 1526 CB LYS A 102 -7.987 -10.098 -0.204 1.00 0.00 C ATOM 1527 CG LYS A 102 -9.073 -9.789 -1.236 1.00 0.00 C ATOM 1528 CD LYS A 102 -9.303 -8.282 -1.358 1.00 0.00 C ATOM 1529 CE LYS A 102 -9.822 -7.917 -2.750 1.00 0.00 C ATOM 1530 NZ LYS A 102 -10.633 -6.680 -2.693 1.00 0.00 N ATOM 0 H LYS A 102 -6.545 -10.147 -2.852 1.00 0.00 H new ATOM 0 HA LYS A 102 -6.047 -10.900 -0.066 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -8.390 -10.753 0.569 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.676 -9.177 0.289 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.784 -10.196 -2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -10.003 -10.280 -0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.019 -7.958 -0.603 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -8.371 -7.751 -1.163 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -8.983 -7.778 -3.432 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.423 -8.735 -3.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -10.977 -6.446 -3.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.444 -6.825 -2.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -10.048 -5.898 -2.335 1.00 0.00 H new ATOM 1544 N LYS A 103 -7.822 -12.927 -0.673 1.00 0.00 N ATOM 1545 CA LYS A 103 -8.188 -14.268 -1.096 1.00 0.00 C ATOM 1546 C LYS A 103 -6.915 -15.074 -1.375 1.00 0.00 C ATOM 1547 O LYS A 103 -5.807 -14.580 -1.172 1.00 0.00 O ATOM 1548 CB LYS A 103 -9.151 -14.214 -2.282 1.00 0.00 C ATOM 1549 CG LYS A 103 -8.616 -15.029 -3.461 1.00 0.00 C ATOM 1550 CD LYS A 103 -8.219 -14.116 -4.624 1.00 0.00 C ATOM 1551 CE LYS A 103 -9.423 -13.315 -5.126 1.00 0.00 C ATOM 1552 NZ LYS A 103 -9.741 -13.682 -6.525 1.00 0.00 N ATOM 0 H LYS A 103 -8.183 -12.655 0.242 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.728 -14.783 -0.301 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -10.125 -14.599 -1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -9.298 -13.178 -2.588 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.753 -15.613 -3.142 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -9.375 -15.737 -3.793 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.432 -13.434 -4.304 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.810 -14.715 -5.438 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -10.286 -13.506 -4.488 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -9.210 -12.248 -5.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -10.560 -13.130 -6.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.922 -13.478 -7.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -9.965 -14.696 -6.575 1.00 0.00 H new ATOM 1566 N SER A 104 -7.116 -16.300 -1.832 1.00 0.00 N ATOM 1567 CA SER A 104 -6.002 -17.178 -2.141 1.00 0.00 C ATOM 1568 C SER A 104 -5.551 -16.965 -3.586 1.00 0.00 C ATOM 1569 O SER A 104 -5.070 -17.893 -4.235 1.00 0.00 O ATOM 1570 CB SER A 104 -6.376 -18.644 -1.912 1.00 0.00 C ATOM 1571 OG SER A 104 -5.286 -19.522 -2.188 1.00 0.00 O ATOM 0 H SER A 104 -8.037 -16.707 -1.996 1.00 0.00 H new ATOM 0 HA SER A 104 -5.178 -16.932 -1.471 1.00 0.00 H new ATOM 0 HB2 SER A 104 -6.698 -18.779 -0.879 1.00 0.00 H new ATOM 0 HB3 SER A 104 -7.222 -18.906 -2.547 1.00 0.00 H new ATOM 0 HG SER A 104 -4.461 -19.146 -1.817 1.00 0.00 H new ATOM 1577 N ALA A 105 -5.720 -15.734 -4.049 1.00 0.00 N ATOM 1578 CA ALA A 105 -5.336 -15.386 -5.405 1.00 0.00 C ATOM 1579 C ALA A 105 -5.605 -13.898 -5.643 1.00 0.00 C ATOM 1580 O ALA A 105 -5.302 -13.067 -4.789 1.00 0.00 O ATOM 1581 CB ALA A 105 -6.090 -16.279 -6.395 1.00 0.00 C ATOM 0 H ALA A 105 -6.118 -14.966 -3.508 1.00 0.00 H new ATOM 0 HA ALA A 105 -4.270 -15.557 -5.556 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -5.802 -16.018 -7.413 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -5.843 -17.323 -6.204 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.163 -16.132 -6.273 1.00 0.00 H new TER 1588 ALA A 105