USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 852 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 42 MET CE :methyl -165:sc= -2.94! (180deg=-2.41!) USER MOD Set 1.2: A 78 TYR OH : rot 180:sc= -0.169 USER MOD Set 2.1: A 30 GLN : amide:sc= 0 K(o=-2.1,f=-2.9) USER MOD Set 2.2: A 33 GLN : amide:sc= -2.06! C(o=-2.1!,f=-13!) USER MOD Single : A 2 THR OG1 : rot -31:sc= 0.107 USER MOD Single : A 3 THR OG1 : rot -134:sc= 1.21 USER MOD Single : A 4 HIS : no HD1:sc= -0.147 K(o=-0.15,f=-3.6!) USER MOD Single : A 10 GLN : amide:sc= 0.826 K(o=0.83,f=-1.4) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 23 HIS : no HD1:sc= -0.028 X(o=-0.028,f=0) USER MOD Single : A 26 ASN : amide:sc= -0.0225 X(o=-0.022,f=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.0832 X(o=-0.083,f=0) USER MOD Single : A 35 ASN : amide:sc= -5.35! C(o=-5.4!,f=-5.4!) USER MOD Single : A 36 SER OG : rot -85:sc= -0.298 USER MOD Single : A 37 THR OG1 : rot -10:sc= 0.47 USER MOD Single : A 38 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.25) USER MOD Single : A 44 THR OG1 : rot -160:sc= -2.96! USER MOD Single : A 45 MET CE :methyl -165:sc= -0.0386 (180deg=-0.37) USER MOD Single : A 52 GLN : amide:sc= 0.513 K(o=0.51,f=-4.3!) USER MOD Single : A 59 MET CE :methyl -167:sc= 0 (180deg=-0.0463) USER MOD Single : A 60 HIS : no HD1:sc= -0.834 K(o=-0.83,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.775 K(o=-0.77,f=-0.018) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.954 X(o=-0.95,f=-1.1) USER MOD Single : A 79 TYR OH : rot 13:sc= -0.432 USER MOD Single : A 81 MET CE :methyl -125:sc= -1.7 (180deg=-3.32!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0471 USER MOD Single : A 87 HIS : no HD1:sc= -0.284 X(o=-0.28,f=-0.56) USER MOD Single : A 89 GLN : amide:sc= -0.0171 K(o=-0.017,f=-0.52) USER MOD Single : A 99 LYS NZ :NH3+ -171:sc=-0.00624 (180deg=-0.11) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -17.017 0.572 5.604 1.00 0.00 N ATOM 21 CA THR A 2 -15.970 1.586 5.687 1.00 0.00 C ATOM 22 C THR A 2 -14.567 0.986 5.640 1.00 0.00 C ATOM 23 O THR A 2 -13.606 1.689 5.351 1.00 0.00 O ATOM 24 CB THR A 2 -16.111 2.436 6.967 1.00 0.00 C ATOM 25 OG1 THR A 2 -16.161 1.587 8.123 1.00 0.00 O ATOM 26 CG2 THR A 2 -17.367 3.294 6.911 1.00 0.00 C ATOM 0 HA THR A 2 -16.101 2.220 4.810 1.00 0.00 H new ATOM 0 HB THR A 2 -15.242 3.090 7.036 1.00 0.00 H new ATOM 0 HG1 THR A 2 -16.584 0.736 7.885 1.00 0.00 H new ATOM 0 HG21 THR A 2 -17.445 3.884 7.824 1.00 0.00 H new ATOM 0 HG22 THR A 2 -17.314 3.961 6.051 1.00 0.00 H new ATOM 0 HG23 THR A 2 -18.243 2.652 6.818 1.00 0.00 H new ATOM 34 N THR A 3 -14.448 -0.309 5.913 1.00 0.00 N ATOM 35 CA THR A 3 -13.145 -0.957 5.944 1.00 0.00 C ATOM 36 C THR A 3 -12.449 -0.875 4.585 1.00 0.00 C ATOM 37 O THR A 3 -11.264 -0.552 4.508 1.00 0.00 O ATOM 38 CB THR A 3 -13.259 -2.427 6.376 1.00 0.00 C ATOM 39 OG1 THR A 3 -13.994 -2.513 7.603 1.00 0.00 O ATOM 40 CG2 THR A 3 -11.881 -3.042 6.560 1.00 0.00 C ATOM 0 H THR A 3 -15.234 -0.926 6.115 1.00 0.00 H new ATOM 0 HA THR A 3 -12.544 -0.422 6.679 1.00 0.00 H new ATOM 0 HB THR A 3 -13.783 -2.979 5.596 1.00 0.00 H new ATOM 0 HG1 THR A 3 -13.533 -3.120 8.219 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.985 -4.083 6.866 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.332 -2.993 5.619 1.00 0.00 H new ATOM 0 HG23 THR A 3 -11.336 -2.491 7.327 1.00 0.00 H new ATOM 48 N HIS A 4 -13.191 -1.154 3.514 1.00 0.00 N ATOM 49 CA HIS A 4 -12.634 -1.066 2.163 1.00 0.00 C ATOM 50 C HIS A 4 -12.180 0.360 1.878 1.00 0.00 C ATOM 51 O HIS A 4 -11.067 0.594 1.405 1.00 0.00 O ATOM 52 CB HIS A 4 -13.658 -1.488 1.105 1.00 0.00 C ATOM 53 CG HIS A 4 -14.108 -2.912 1.207 1.00 0.00 C ATOM 54 ND1 HIS A 4 -15.434 -3.279 1.200 1.00 0.00 N ATOM 55 CD2 HIS A 4 -13.403 -4.064 1.306 1.00 0.00 C ATOM 56 CE1 HIS A 4 -15.525 -4.591 1.292 1.00 0.00 C ATOM 57 NE2 HIS A 4 -14.308 -5.095 1.359 1.00 0.00 N ATOM 0 H HIS A 4 -14.169 -1.440 3.553 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.784 -1.746 2.112 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.530 -0.839 1.183 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -13.227 -1.327 0.117 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -12.327 -4.155 1.337 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -16.444 -5.159 1.310 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -14.078 -6.086 1.437 1.00 0.00 H new ATOM 66 N ASP A 5 -13.052 1.307 2.190 1.00 0.00 N ATOM 67 CA ASP A 5 -12.776 2.721 1.977 1.00 0.00 C ATOM 68 C ASP A 5 -11.619 3.193 2.841 1.00 0.00 C ATOM 69 O ASP A 5 -10.881 4.101 2.463 1.00 0.00 O ATOM 70 CB ASP A 5 -14.019 3.551 2.279 1.00 0.00 C ATOM 71 CG ASP A 5 -15.099 3.363 1.229 1.00 0.00 C ATOM 72 OD1 ASP A 5 -15.721 2.279 1.189 1.00 0.00 O ATOM 73 OD2 ASP A 5 -15.318 4.294 0.426 1.00 0.00 O ATOM 0 H ASP A 5 -13.968 1.119 2.597 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.498 2.854 0.932 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -14.412 3.272 3.257 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -13.746 4.605 2.334 1.00 0.00 H new ATOM 78 N ARG A 6 -11.460 2.572 3.999 1.00 0.00 N ATOM 79 CA ARG A 6 -10.375 2.909 4.901 1.00 0.00 C ATOM 80 C ARG A 6 -9.041 2.513 4.275 1.00 0.00 C ATOM 81 O ARG A 6 -8.045 3.221 4.413 1.00 0.00 O ATOM 82 CB ARG A 6 -10.565 2.211 6.246 1.00 0.00 C ATOM 83 CG ARG A 6 -9.904 2.943 7.396 1.00 0.00 C ATOM 84 CD ARG A 6 -10.167 2.246 8.721 1.00 0.00 C ATOM 85 NE ARG A 6 -11.599 2.138 8.996 1.00 0.00 N ATOM 86 CZ ARG A 6 -12.151 1.189 9.750 1.00 0.00 C ATOM 87 NH1 ARG A 6 -11.391 0.297 10.378 1.00 0.00 N ATOM 88 NH2 ARG A 6 -13.469 1.148 9.893 1.00 0.00 N ATOM 0 H ARG A 6 -12.072 1.829 4.336 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.377 3.985 5.073 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -11.631 2.114 6.450 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -10.159 1.201 6.185 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.830 3.003 7.222 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -10.277 3.966 7.441 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -9.723 1.251 8.704 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -9.682 2.798 9.526 1.00 0.00 H new ATOM 0 HE ARG A 6 -12.217 2.836 8.583 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -10.376 0.336 10.285 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -11.823 -0.426 10.953 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -14.054 1.841 9.427 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -13.897 0.423 10.469 1.00 0.00 H new ATOM 102 N VAL A 7 -9.039 1.385 3.568 1.00 0.00 N ATOM 103 CA VAL A 7 -7.868 0.959 2.813 1.00 0.00 C ATOM 104 C VAL A 7 -7.578 1.970 1.708 1.00 0.00 C ATOM 105 O VAL A 7 -6.430 2.339 1.469 1.00 0.00 O ATOM 106 CB VAL A 7 -8.068 -0.441 2.186 1.00 0.00 C ATOM 107 CG1 VAL A 7 -6.828 -0.873 1.418 1.00 0.00 C ATOM 108 CG2 VAL A 7 -8.423 -1.465 3.252 1.00 0.00 C ATOM 0 H VAL A 7 -9.836 0.751 3.504 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.028 0.902 3.505 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.899 -0.380 1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.993 -1.860 0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.626 -0.158 0.621 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.975 -0.911 2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -8.559 -2.442 2.787 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.618 -1.521 3.985 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.347 -1.168 3.749 1.00 0.00 H new ATOM 118 N ARG A 8 -8.644 2.430 1.058 1.00 0.00 N ATOM 119 CA ARG A 8 -8.546 3.447 0.015 1.00 0.00 C ATOM 120 C ARG A 8 -7.907 4.716 0.569 1.00 0.00 C ATOM 121 O ARG A 8 -7.018 5.301 -0.053 1.00 0.00 O ATOM 122 CB ARG A 8 -9.940 3.761 -0.541 1.00 0.00 C ATOM 123 CG ARG A 8 -9.958 4.814 -1.641 1.00 0.00 C ATOM 124 CD ARG A 8 -11.385 5.169 -2.027 1.00 0.00 C ATOM 125 NE ARG A 8 -11.450 6.168 -3.093 1.00 0.00 N ATOM 126 CZ ARG A 8 -12.309 7.188 -3.104 1.00 0.00 C ATOM 127 NH1 ARG A 8 -13.144 7.373 -2.088 1.00 0.00 N ATOM 128 NH2 ARG A 8 -12.325 8.025 -4.131 1.00 0.00 N ATOM 0 H ARG A 8 -9.596 2.110 1.238 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.919 3.064 -0.790 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.379 2.841 -0.928 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.577 4.098 0.277 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.435 5.708 -1.303 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.422 4.443 -2.515 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.905 4.267 -2.348 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.911 5.545 -1.150 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.800 6.079 -3.874 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.130 6.733 -1.294 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.799 8.155 -2.102 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.681 7.888 -4.910 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.981 8.806 -4.142 1.00 0.00 H new ATOM 142 N LEU A 9 -8.357 5.127 1.750 1.00 0.00 N ATOM 143 CA LEU A 9 -7.822 6.314 2.408 1.00 0.00 C ATOM 144 C LEU A 9 -6.364 6.110 2.798 1.00 0.00 C ATOM 145 O LEU A 9 -5.556 7.038 2.728 1.00 0.00 O ATOM 146 CB LEU A 9 -8.646 6.655 3.652 1.00 0.00 C ATOM 147 CG LEU A 9 -10.123 6.961 3.396 1.00 0.00 C ATOM 148 CD1 LEU A 9 -10.839 7.265 4.702 1.00 0.00 C ATOM 149 CD2 LEU A 9 -10.274 8.123 2.425 1.00 0.00 C ATOM 0 H LEU A 9 -9.094 4.654 2.273 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.882 7.142 1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.581 5.821 4.350 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.193 7.517 4.142 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.580 6.079 2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.888 7.480 4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.766 6.403 5.366 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.376 8.130 5.178 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.333 8.322 2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.799 9.011 2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.799 7.869 1.477 1.00 0.00 H new ATOM 161 N GLN A 10 -6.026 4.893 3.204 1.00 0.00 N ATOM 162 CA GLN A 10 -4.662 4.582 3.605 1.00 0.00 C ATOM 163 C GLN A 10 -3.741 4.586 2.393 1.00 0.00 C ATOM 164 O GLN A 10 -2.579 4.973 2.486 1.00 0.00 O ATOM 165 CB GLN A 10 -4.592 3.223 4.295 1.00 0.00 C ATOM 166 CG GLN A 10 -3.500 3.149 5.350 1.00 0.00 C ATOM 167 CD GLN A 10 -3.839 3.971 6.580 1.00 0.00 C ATOM 168 OE1 GLN A 10 -5.006 4.106 6.949 1.00 0.00 O ATOM 169 NE2 GLN A 10 -2.832 4.546 7.208 1.00 0.00 N ATOM 0 H GLN A 10 -6.675 4.109 3.264 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.337 5.348 4.309 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.554 3.008 4.760 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.419 2.450 3.546 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.346 2.110 5.640 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.561 3.503 4.925 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.878 4.411 6.873 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.007 5.126 8.029 1.00 0.00 H new ATOM 178 N LEU A 11 -4.271 4.154 1.254 1.00 0.00 N ATOM 179 CA LEU A 11 -3.533 4.202 -0.002 1.00 0.00 C ATOM 180 C LEU A 11 -3.172 5.640 -0.343 1.00 0.00 C ATOM 181 O LEU A 11 -2.087 5.918 -0.849 1.00 0.00 O ATOM 182 CB LEU A 11 -4.355 3.582 -1.136 1.00 0.00 C ATOM 183 CG LEU A 11 -4.643 2.087 -0.991 1.00 0.00 C ATOM 184 CD1 LEU A 11 -5.576 1.619 -2.094 1.00 0.00 C ATOM 185 CD2 LEU A 11 -3.348 1.289 -1.013 1.00 0.00 C ATOM 0 H LEU A 11 -5.211 3.766 1.175 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.616 3.624 0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.304 4.113 -1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.828 3.744 -2.076 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.132 1.921 -0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.772 0.553 -1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.515 2.169 -2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.112 1.799 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.573 0.228 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.832 1.459 -1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.710 1.608 -0.188 1.00 0.00 H new ATOM 197 N GLN A 12 -4.090 6.554 -0.046 1.00 0.00 N ATOM 198 CA GLN A 12 -3.849 7.977 -0.240 1.00 0.00 C ATOM 199 C GLN A 12 -2.751 8.458 0.701 1.00 0.00 C ATOM 200 O GLN A 12 -1.896 9.253 0.318 1.00 0.00 O ATOM 201 CB GLN A 12 -5.128 8.776 0.007 1.00 0.00 C ATOM 202 CG GLN A 12 -6.291 8.355 -0.873 1.00 0.00 C ATOM 203 CD GLN A 12 -7.545 9.152 -0.587 1.00 0.00 C ATOM 204 OE1 GLN A 12 -7.764 9.605 0.538 1.00 0.00 O ATOM 205 NE2 GLN A 12 -8.375 9.327 -1.600 1.00 0.00 N ATOM 0 H GLN A 12 -5.011 6.332 0.332 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.530 8.134 -1.271 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.417 8.668 1.052 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.923 9.834 -0.159 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.015 8.479 -1.920 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.494 7.295 -0.721 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.153 8.934 -2.515 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -9.237 9.855 -1.467 1.00 0.00 H new ATOM 214 N ALA A 13 -2.780 7.960 1.933 1.00 0.00 N ATOM 215 CA ALA A 13 -1.757 8.282 2.920 1.00 0.00 C ATOM 216 C ALA A 13 -0.399 7.760 2.470 1.00 0.00 C ATOM 217 O ALA A 13 0.619 8.441 2.609 1.00 0.00 O ATOM 218 CB ALA A 13 -2.127 7.699 4.276 1.00 0.00 C ATOM 0 H ALA A 13 -3.505 7.328 2.272 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.696 9.366 3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.353 7.948 5.002 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.080 8.115 4.603 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.213 6.615 4.195 1.00 0.00 H new ATOM 224 N LEU A 14 -0.399 6.551 1.923 1.00 0.00 N ATOM 225 CA LEU A 14 0.810 5.941 1.383 1.00 0.00 C ATOM 226 C LEU A 14 1.340 6.793 0.229 1.00 0.00 C ATOM 227 O LEU A 14 2.533 7.100 0.164 1.00 0.00 O ATOM 228 CB LEU A 14 0.498 4.512 0.908 1.00 0.00 C ATOM 229 CG LEU A 14 1.668 3.516 0.927 1.00 0.00 C ATOM 230 CD1 LEU A 14 1.158 2.110 0.663 1.00 0.00 C ATOM 231 CD2 LEU A 14 2.726 3.884 -0.101 1.00 0.00 C ATOM 0 H LEU A 14 -1.232 5.968 1.841 1.00 0.00 H new ATOM 0 HA LEU A 14 1.576 5.889 2.157 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.302 4.112 1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.112 4.567 -0.110 1.00 0.00 H new ATOM 0 HG LEU A 14 2.128 3.557 1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.994 1.411 0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.439 1.833 1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.674 2.076 -0.313 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.539 3.159 -0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.283 3.878 -1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.115 4.879 0.117 1.00 0.00 H new ATOM 243 N GLU A 15 0.438 7.181 -0.670 1.00 0.00 N ATOM 244 CA GLU A 15 0.781 8.067 -1.776 1.00 0.00 C ATOM 245 C GLU A 15 1.377 9.367 -1.249 1.00 0.00 C ATOM 246 O GLU A 15 2.417 9.821 -1.722 1.00 0.00 O ATOM 247 CB GLU A 15 -0.461 8.371 -2.618 1.00 0.00 C ATOM 248 CG GLU A 15 -0.193 9.310 -3.782 1.00 0.00 C ATOM 249 CD GLU A 15 -1.463 9.747 -4.480 1.00 0.00 C ATOM 250 OE1 GLU A 15 -1.897 9.057 -5.423 1.00 0.00 O ATOM 251 OE2 GLU A 15 -2.034 10.785 -4.087 1.00 0.00 O ATOM 0 H GLU A 15 -0.540 6.893 -0.652 1.00 0.00 H new ATOM 0 HA GLU A 15 1.520 7.566 -2.401 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.866 7.435 -3.003 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.226 8.810 -1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.339 10.189 -3.420 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.461 8.815 -4.500 1.00 0.00 H new ATOM 258 N ALA A 16 0.714 9.949 -0.257 1.00 0.00 N ATOM 259 CA ALA A 16 1.164 11.189 0.357 1.00 0.00 C ATOM 260 C ALA A 16 2.568 11.042 0.934 1.00 0.00 C ATOM 261 O ALA A 16 3.409 11.920 0.759 1.00 0.00 O ATOM 262 CB ALA A 16 0.190 11.624 1.440 1.00 0.00 C ATOM 0 H ALA A 16 -0.147 9.575 0.142 1.00 0.00 H new ATOM 0 HA ALA A 16 1.198 11.956 -0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.539 12.553 1.891 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.795 11.781 1.001 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.127 10.850 2.205 1.00 0.00 H new ATOM 268 N LEU A 17 2.816 9.918 1.599 1.00 0.00 N ATOM 269 CA LEU A 17 4.112 9.646 2.212 1.00 0.00 C ATOM 270 C LEU A 17 5.206 9.616 1.145 1.00 0.00 C ATOM 271 O LEU A 17 6.274 10.219 1.308 1.00 0.00 O ATOM 272 CB LEU A 17 4.050 8.312 2.976 1.00 0.00 C ATOM 273 CG LEU A 17 5.212 8.019 3.939 1.00 0.00 C ATOM 274 CD1 LEU A 17 4.801 6.957 4.943 1.00 0.00 C ATOM 275 CD2 LEU A 17 6.455 7.559 3.189 1.00 0.00 C ATOM 0 H LEU A 17 2.130 9.175 1.728 1.00 0.00 H new ATOM 0 HA LEU A 17 4.353 10.441 2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.121 8.288 3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.999 7.503 2.247 1.00 0.00 H new ATOM 0 HG LEU A 17 5.452 8.945 4.461 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.631 6.756 5.621 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.943 7.310 5.515 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.534 6.041 4.415 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.257 7.361 3.900 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.229 6.649 2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.770 8.338 2.495 1.00 0.00 H new ATOM 287 N LEU A 18 4.933 8.922 0.047 1.00 0.00 N ATOM 288 CA LEU A 18 5.884 8.836 -1.053 1.00 0.00 C ATOM 289 C LEU A 18 6.045 10.195 -1.719 1.00 0.00 C ATOM 290 O LEU A 18 7.139 10.563 -2.141 1.00 0.00 O ATOM 291 CB LEU A 18 5.435 7.795 -2.081 1.00 0.00 C ATOM 292 CG LEU A 18 5.366 6.356 -1.568 1.00 0.00 C ATOM 293 CD1 LEU A 18 4.941 5.416 -2.685 1.00 0.00 C ATOM 294 CD2 LEU A 18 6.708 5.926 -0.994 1.00 0.00 C ATOM 0 H LEU A 18 4.063 8.412 -0.105 1.00 0.00 H new ATOM 0 HA LEU A 18 6.847 8.525 -0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.450 8.078 -2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.119 7.828 -2.929 1.00 0.00 H new ATOM 0 HG LEU A 18 4.622 6.310 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.896 4.396 -2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.958 5.709 -3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.664 5.468 -3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.638 4.899 -0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.472 5.988 -1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.977 6.583 -0.167 1.00 0.00 H new ATOM 306 N ARG A 19 4.947 10.937 -1.787 1.00 0.00 N ATOM 307 CA ARG A 19 4.934 12.269 -2.377 1.00 0.00 C ATOM 308 C ARG A 19 5.797 13.232 -1.561 1.00 0.00 C ATOM 309 O ARG A 19 6.574 14.006 -2.121 1.00 0.00 O ATOM 310 CB ARG A 19 3.493 12.784 -2.452 1.00 0.00 C ATOM 311 CG ARG A 19 3.335 14.103 -3.186 1.00 0.00 C ATOM 312 CD ARG A 19 1.878 14.535 -3.218 1.00 0.00 C ATOM 313 NE ARG A 19 1.685 15.753 -3.999 1.00 0.00 N ATOM 314 CZ ARG A 19 0.571 16.038 -4.672 1.00 0.00 C ATOM 315 NH1 ARG A 19 -0.473 15.216 -4.619 1.00 0.00 N ATOM 316 NH2 ARG A 19 0.498 17.158 -5.381 1.00 0.00 N ATOM 0 H ARG A 19 4.040 10.632 -1.434 1.00 0.00 H new ATOM 0 HA ARG A 19 5.349 12.211 -3.383 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.877 12.032 -2.945 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.108 12.898 -1.439 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.935 14.870 -2.697 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.712 14.005 -4.204 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.272 13.734 -3.640 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.526 14.698 -2.199 1.00 0.00 H new ATOM 0 HE ARG A 19 2.450 16.427 -4.032 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.423 14.363 -4.061 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.324 15.438 -5.136 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.293 17.797 -5.409 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.353 17.380 -5.898 1.00 0.00 H new ATOM 330 N GLU A 20 5.667 13.162 -0.237 1.00 0.00 N ATOM 331 CA GLU A 20 6.441 14.014 0.667 1.00 0.00 C ATOM 332 C GLU A 20 7.939 13.844 0.438 1.00 0.00 C ATOM 333 O GLU A 20 8.690 14.818 0.391 1.00 0.00 O ATOM 334 CB GLU A 20 6.122 13.680 2.126 1.00 0.00 C ATOM 335 CG GLU A 20 4.712 14.037 2.557 1.00 0.00 C ATOM 336 CD GLU A 20 4.472 13.729 4.018 1.00 0.00 C ATOM 337 OE1 GLU A 20 4.984 14.478 4.872 1.00 0.00 O ATOM 338 OE2 GLU A 20 3.785 12.732 4.319 1.00 0.00 O ATOM 0 H GLU A 20 5.030 12.521 0.236 1.00 0.00 H new ATOM 0 HA GLU A 20 6.163 15.047 0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.278 12.613 2.284 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.829 14.204 2.769 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.535 15.097 2.376 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.996 13.486 1.948 1.00 0.00 H new ATOM 345 N HIS A 21 8.368 12.601 0.292 1.00 0.00 N ATOM 346 CA HIS A 21 9.784 12.305 0.139 1.00 0.00 C ATOM 347 C HIS A 21 10.154 12.166 -1.332 1.00 0.00 C ATOM 348 O HIS A 21 11.248 11.702 -1.663 1.00 0.00 O ATOM 349 CB HIS A 21 10.157 11.042 0.916 1.00 0.00 C ATOM 350 CG HIS A 21 10.115 11.228 2.405 1.00 0.00 C ATOM 351 ND1 HIS A 21 11.112 11.867 3.108 1.00 0.00 N ATOM 352 CD2 HIS A 21 9.189 10.859 3.322 1.00 0.00 C ATOM 353 CE1 HIS A 21 10.805 11.883 4.391 1.00 0.00 C ATOM 354 NE2 HIS A 21 9.640 11.279 4.552 1.00 0.00 N ATOM 0 H HIS A 21 7.759 11.783 0.276 1.00 0.00 H new ATOM 0 HA HIS A 21 10.352 13.139 0.551 1.00 0.00 H new ATOM 0 HB2 HIS A 21 9.476 10.238 0.638 1.00 0.00 H new ATOM 0 HB3 HIS A 21 11.159 10.727 0.624 1.00 0.00 H new ATOM 0 HD2 HIS A 21 8.267 10.332 3.124 1.00 0.00 H new ATOM 0 HE1 HIS A 21 11.405 12.317 5.178 1.00 0.00 H new ATOM 0 HE2 HIS A 21 9.156 11.146 5.440 1.00 0.00 H new ATOM 363 N GLN A 22 9.231 12.581 -2.199 1.00 0.00 N ATOM 364 CA GLN A 22 9.443 12.603 -3.646 1.00 0.00 C ATOM 365 C GLN A 22 9.965 11.271 -4.175 1.00 0.00 C ATOM 366 O GLN A 22 10.887 11.228 -4.994 1.00 0.00 O ATOM 367 CB GLN A 22 10.386 13.748 -4.015 1.00 0.00 C ATOM 368 CG GLN A 22 9.807 15.112 -3.684 1.00 0.00 C ATOM 369 CD GLN A 22 10.738 16.255 -4.029 1.00 0.00 C ATOM 370 OE1 GLN A 22 11.960 16.114 -3.992 1.00 0.00 O ATOM 371 NE2 GLN A 22 10.162 17.394 -4.367 1.00 0.00 N ATOM 0 H GLN A 22 8.309 12.913 -1.915 1.00 0.00 H new ATOM 0 HA GLN A 22 8.477 12.768 -4.122 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.331 13.620 -3.486 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.609 13.701 -5.081 1.00 0.00 H new ATOM 0 HG2 GLN A 22 8.868 15.241 -4.223 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.572 15.152 -2.620 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.145 17.466 -4.384 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.734 18.202 -4.611 1.00 0.00 H new ATOM 380 N HIS A 23 9.352 10.188 -3.717 1.00 0.00 N ATOM 381 CA HIS A 23 9.681 8.853 -4.201 1.00 0.00 C ATOM 382 C HIS A 23 8.627 8.376 -5.186 1.00 0.00 C ATOM 383 O HIS A 23 8.577 7.200 -5.530 1.00 0.00 O ATOM 384 CB HIS A 23 9.798 7.852 -3.047 1.00 0.00 C ATOM 385 CG HIS A 23 11.146 7.821 -2.397 1.00 0.00 C ATOM 386 ND1 HIS A 23 12.214 7.134 -2.923 1.00 0.00 N ATOM 387 CD2 HIS A 23 11.589 8.373 -1.245 1.00 0.00 C ATOM 388 CE1 HIS A 23 13.254 7.258 -2.122 1.00 0.00 C ATOM 389 NE2 HIS A 23 12.902 8.007 -1.093 1.00 0.00 N ATOM 0 H HIS A 23 8.620 10.208 -3.007 1.00 0.00 H new ATOM 0 HA HIS A 23 10.647 8.912 -4.702 1.00 0.00 H new ATOM 0 HB2 HIS A 23 9.049 8.094 -2.293 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.564 6.855 -3.420 1.00 0.00 H new ATOM 0 HD2 HIS A 23 11.015 8.989 -0.569 1.00 0.00 H new ATOM 0 HE1 HIS A 23 14.229 6.821 -2.281 1.00 0.00 H new ATOM 0 HE2 HIS A 23 13.506 8.270 -0.314 1.00 0.00 H new ATOM 398 N TRP A 24 7.784 9.296 -5.630 1.00 0.00 N ATOM 399 CA TRP A 24 6.761 8.979 -6.610 1.00 0.00 C ATOM 400 C TRP A 24 7.075 9.695 -7.913 1.00 0.00 C ATOM 401 O TRP A 24 7.105 10.926 -7.962 1.00 0.00 O ATOM 402 CB TRP A 24 5.379 9.397 -6.100 1.00 0.00 C ATOM 403 CG TRP A 24 4.243 8.816 -6.892 1.00 0.00 C ATOM 404 CD1 TRP A 24 3.965 9.020 -8.216 1.00 0.00 C ATOM 405 CD2 TRP A 24 3.222 7.940 -6.401 1.00 0.00 C ATOM 406 NE1 TRP A 24 2.842 8.316 -8.576 1.00 0.00 N ATOM 407 CE2 TRP A 24 2.365 7.649 -7.479 1.00 0.00 C ATOM 408 CE3 TRP A 24 2.950 7.373 -5.153 1.00 0.00 C ATOM 409 CZ2 TRP A 24 1.258 6.816 -7.346 1.00 0.00 C ATOM 410 CZ3 TRP A 24 1.852 6.548 -5.022 1.00 0.00 C ATOM 411 CH2 TRP A 24 1.017 6.277 -6.112 1.00 0.00 C ATOM 0 H TRP A 24 7.790 10.269 -5.325 1.00 0.00 H new ATOM 0 HA TRP A 24 6.751 7.902 -6.779 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.278 9.092 -5.059 1.00 0.00 H new ATOM 0 HB3 TRP A 24 5.307 10.484 -6.122 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.544 9.644 -8.881 1.00 0.00 H new ATOM 0 HE1 TRP A 24 2.430 8.294 -9.509 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.588 7.577 -4.306 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 0.613 6.603 -8.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.633 6.104 -4.062 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.164 5.628 -5.976 1.00 0.00 H new ATOM 422 N ARG A 25 7.314 8.930 -8.961 1.00 0.00 N ATOM 423 CA ARG A 25 7.648 9.503 -10.255 1.00 0.00 C ATOM 424 C ARG A 25 6.543 9.209 -11.254 1.00 0.00 C ATOM 425 O ARG A 25 6.051 8.085 -11.321 1.00 0.00 O ATOM 426 CB ARG A 25 8.966 8.923 -10.768 1.00 0.00 C ATOM 427 CG ARG A 25 10.121 9.044 -9.787 1.00 0.00 C ATOM 428 CD ARG A 25 11.365 8.353 -10.320 1.00 0.00 C ATOM 429 NE ARG A 25 11.107 6.949 -10.635 1.00 0.00 N ATOM 430 CZ ARG A 25 11.194 6.432 -11.862 1.00 0.00 C ATOM 431 NH1 ARG A 25 11.602 7.185 -12.876 1.00 0.00 N ATOM 432 NH2 ARG A 25 10.890 5.157 -12.066 1.00 0.00 N ATOM 0 H ARG A 25 7.284 7.911 -8.944 1.00 0.00 H new ATOM 0 HA ARG A 25 7.754 10.582 -10.139 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.818 7.871 -11.010 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.236 9.428 -11.695 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.337 10.096 -9.602 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.838 8.604 -8.831 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.714 8.869 -11.215 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.164 8.420 -9.582 1.00 0.00 H new ATOM 0 HE ARG A 25 10.845 6.327 -9.870 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.850 8.162 -12.718 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.667 6.787 -13.813 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.590 4.573 -11.285 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.956 4.761 -13.004 1.00 0.00 H new ATOM 446 N ASN A 26 6.148 10.209 -12.030 1.00 0.00 N ATOM 447 CA ASN A 26 5.136 9.997 -13.055 1.00 0.00 C ATOM 448 C ASN A 26 5.767 9.288 -14.243 1.00 0.00 C ATOM 449 O ASN A 26 6.437 9.912 -15.068 1.00 0.00 O ATOM 450 CB ASN A 26 4.499 11.316 -13.504 1.00 0.00 C ATOM 451 CG ASN A 26 3.263 11.094 -14.359 1.00 0.00 C ATOM 452 OD1 ASN A 26 2.144 11.029 -13.845 1.00 0.00 O ATOM 453 ND2 ASN A 26 3.451 10.968 -15.663 1.00 0.00 N ATOM 0 H ASN A 26 6.507 11.162 -11.971 1.00 0.00 H new ATOM 0 HA ASN A 26 4.343 9.380 -12.632 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.231 11.905 -12.627 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.229 11.897 -14.068 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.654 10.811 -16.280 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.393 11.028 -16.051 1.00 0.00 H new ATOM 460 N ASP A 27 5.584 7.980 -14.303 1.00 0.00 N ATOM 461 CA ASP A 27 6.201 7.165 -15.336 1.00 0.00 C ATOM 462 C ASP A 27 5.189 6.161 -15.867 1.00 0.00 C ATOM 463 O ASP A 27 4.245 5.799 -15.162 1.00 0.00 O ATOM 464 CB ASP A 27 7.417 6.436 -14.757 1.00 0.00 C ATOM 465 CG ASP A 27 8.319 5.855 -15.824 1.00 0.00 C ATOM 466 OD1 ASP A 27 9.120 6.618 -16.408 1.00 0.00 O ATOM 467 OD2 ASP A 27 8.247 4.638 -16.079 1.00 0.00 O ATOM 0 H ASP A 27 5.009 7.456 -13.643 1.00 0.00 H new ATOM 0 HA ASP A 27 6.529 7.803 -16.157 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.991 7.129 -14.142 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.076 5.635 -14.101 1.00 0.00 H new ATOM 472 N GLU A 28 5.363 5.729 -17.105 1.00 0.00 N ATOM 473 CA GLU A 28 4.458 4.757 -17.688 1.00 0.00 C ATOM 474 C GLU A 28 5.140 3.398 -17.824 1.00 0.00 C ATOM 475 O GLU A 28 6.081 3.227 -18.602 1.00 0.00 O ATOM 476 CB GLU A 28 3.923 5.247 -19.041 1.00 0.00 C ATOM 477 CG GLU A 28 4.995 5.521 -20.081 1.00 0.00 C ATOM 478 CD GLU A 28 4.410 5.982 -21.396 1.00 0.00 C ATOM 479 OE1 GLU A 28 3.538 5.272 -21.943 1.00 0.00 O ATOM 480 OE2 GLU A 28 4.798 7.069 -21.877 1.00 0.00 O ATOM 0 H GLU A 28 6.117 6.034 -17.720 1.00 0.00 H new ATOM 0 HA GLU A 28 3.606 4.640 -17.018 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.234 4.501 -19.436 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.348 6.159 -18.881 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.679 6.281 -19.703 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.581 4.616 -20.243 1.00 0.00 H new ATOM 487 N PRO A 29 4.693 2.416 -17.034 1.00 0.00 N ATOM 488 CA PRO A 29 5.217 1.057 -17.100 1.00 0.00 C ATOM 489 C PRO A 29 4.826 0.383 -18.409 1.00 0.00 C ATOM 490 O PRO A 29 3.652 0.098 -18.651 1.00 0.00 O ATOM 491 CB PRO A 29 4.570 0.346 -15.902 1.00 0.00 C ATOM 492 CG PRO A 29 3.976 1.431 -15.066 1.00 0.00 C ATOM 493 CD PRO A 29 3.650 2.551 -16.010 1.00 0.00 C ATOM 0 HA PRO A 29 6.306 1.029 -17.064 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.806 -0.359 -16.230 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.309 -0.224 -15.338 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.081 1.081 -14.552 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.677 1.760 -14.298 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.651 2.448 -16.433 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.689 3.522 -15.517 1.00 0.00 H new ATOM 501 N GLN A 30 5.815 0.163 -19.261 1.00 0.00 N ATOM 502 CA GLN A 30 5.582 -0.440 -20.563 1.00 0.00 C ATOM 503 C GLN A 30 5.198 -1.908 -20.408 1.00 0.00 C ATOM 504 O GLN A 30 5.508 -2.529 -19.391 1.00 0.00 O ATOM 505 CB GLN A 30 6.830 -0.299 -21.437 1.00 0.00 C ATOM 506 CG GLN A 30 7.254 1.143 -21.655 1.00 0.00 C ATOM 507 CD GLN A 30 8.503 1.259 -22.503 1.00 0.00 C ATOM 508 OE1 GLN A 30 9.621 1.260 -21.988 1.00 0.00 O ATOM 509 NE2 GLN A 30 8.321 1.362 -23.811 1.00 0.00 N ATOM 0 H GLN A 30 6.790 0.394 -19.073 1.00 0.00 H new ATOM 0 HA GLN A 30 4.756 0.079 -21.049 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.652 -0.846 -20.975 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.642 -0.765 -22.404 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.441 1.689 -22.135 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.429 1.617 -20.689 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.377 1.357 -24.196 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.125 1.446 -24.433 1.00 0.00 H new ATOM 518 N PRO A 31 4.507 -2.475 -21.411 1.00 0.00 N ATOM 519 CA PRO A 31 4.057 -3.872 -21.388 1.00 0.00 C ATOM 520 C PRO A 31 5.157 -4.858 -20.992 1.00 0.00 C ATOM 521 O PRO A 31 4.907 -5.807 -20.253 1.00 0.00 O ATOM 522 CB PRO A 31 3.619 -4.119 -22.829 1.00 0.00 C ATOM 523 CG PRO A 31 3.197 -2.786 -23.330 1.00 0.00 C ATOM 524 CD PRO A 31 4.089 -1.785 -22.649 1.00 0.00 C ATOM 0 HA PRO A 31 3.274 -4.026 -20.645 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.435 -4.526 -23.426 1.00 0.00 H new ATOM 0 HB3 PRO A 31 2.800 -4.837 -22.876 1.00 0.00 H new ATOM 0 HG2 PRO A 31 3.300 -2.726 -24.414 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.149 -2.596 -23.098 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.945 -1.523 -23.271 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.558 -0.858 -22.431 1.00 0.00 H new ATOM 532 N HIS A 32 6.379 -4.622 -21.467 1.00 0.00 N ATOM 533 CA HIS A 32 7.495 -5.525 -21.188 1.00 0.00 C ATOM 534 C HIS A 32 7.774 -5.602 -19.689 1.00 0.00 C ATOM 535 O HIS A 32 8.169 -6.649 -19.175 1.00 0.00 O ATOM 536 CB HIS A 32 8.758 -5.092 -21.942 1.00 0.00 C ATOM 537 CG HIS A 32 9.841 -6.132 -21.937 1.00 0.00 C ATOM 538 ND1 HIS A 32 10.135 -6.911 -23.033 1.00 0.00 N ATOM 539 CD2 HIS A 32 10.684 -6.536 -20.957 1.00 0.00 C ATOM 540 CE1 HIS A 32 11.106 -7.750 -22.727 1.00 0.00 C ATOM 541 NE2 HIS A 32 11.459 -7.546 -21.472 1.00 0.00 N ATOM 0 H HIS A 32 6.621 -3.817 -22.044 1.00 0.00 H new ATOM 0 HA HIS A 32 7.211 -6.517 -21.538 1.00 0.00 H new ATOM 0 HB2 HIS A 32 8.494 -4.858 -22.973 1.00 0.00 H new ATOM 0 HB3 HIS A 32 9.143 -4.175 -21.495 1.00 0.00 H new ATOM 0 HD2 HIS A 32 10.737 -6.137 -19.955 1.00 0.00 H new ATOM 0 HE1 HIS A 32 11.540 -8.482 -23.393 1.00 0.00 H new ATOM 0 HE2 HIS A 32 12.186 -8.054 -20.968 1.00 0.00 H new ATOM 550 N GLN A 33 7.557 -4.495 -18.995 1.00 0.00 N ATOM 551 CA GLN A 33 7.749 -4.439 -17.553 1.00 0.00 C ATOM 552 C GLN A 33 6.804 -5.412 -16.855 1.00 0.00 C ATOM 553 O GLN A 33 7.170 -6.052 -15.867 1.00 0.00 O ATOM 554 CB GLN A 33 7.518 -3.016 -17.021 1.00 0.00 C ATOM 555 CG GLN A 33 8.706 -2.063 -17.173 1.00 0.00 C ATOM 556 CD GLN A 33 8.896 -1.513 -18.578 1.00 0.00 C ATOM 557 OE1 GLN A 33 8.608 -2.170 -19.574 1.00 0.00 O ATOM 558 NE2 GLN A 33 9.371 -0.280 -18.663 1.00 0.00 N ATOM 0 H GLN A 33 7.246 -3.617 -19.411 1.00 0.00 H new ATOM 0 HA GLN A 33 8.779 -4.724 -17.340 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.660 -2.587 -17.538 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.255 -3.078 -15.965 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.577 -1.228 -16.484 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.615 -2.585 -16.875 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.600 0.238 -17.815 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.508 0.152 -19.577 1.00 0.00 H new ATOM 567 N PHE A 34 5.599 -5.540 -17.395 1.00 0.00 N ATOM 568 CA PHE A 34 4.588 -6.415 -16.815 1.00 0.00 C ATOM 569 C PHE A 34 4.743 -7.848 -17.308 1.00 0.00 C ATOM 570 O PHE A 34 4.170 -8.767 -16.730 1.00 0.00 O ATOM 571 CB PHE A 34 3.184 -5.908 -17.144 1.00 0.00 C ATOM 572 CG PHE A 34 2.838 -4.605 -16.485 1.00 0.00 C ATOM 573 CD1 PHE A 34 2.611 -4.543 -15.120 1.00 0.00 C ATOM 574 CD2 PHE A 34 2.730 -3.444 -17.231 1.00 0.00 C ATOM 575 CE1 PHE A 34 2.281 -3.348 -14.511 1.00 0.00 C ATOM 576 CE2 PHE A 34 2.402 -2.246 -16.627 1.00 0.00 C ATOM 577 CZ PHE A 34 2.176 -2.197 -15.265 1.00 0.00 C ATOM 0 H PHE A 34 5.297 -5.048 -18.236 1.00 0.00 H new ATOM 0 HA PHE A 34 4.730 -6.405 -15.734 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.094 -5.793 -18.224 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.456 -6.661 -16.842 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.693 -5.440 -14.524 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.904 -3.475 -18.296 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.105 -3.314 -13.446 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.322 -1.347 -17.220 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.918 -1.261 -14.792 1.00 0.00 H new ATOM 587 N ASN A 35 5.529 -8.037 -18.366 1.00 0.00 N ATOM 588 CA ASN A 35 5.736 -9.370 -18.939 1.00 0.00 C ATOM 589 C ASN A 35 6.431 -10.289 -17.946 1.00 0.00 C ATOM 590 O ASN A 35 6.419 -11.509 -18.110 1.00 0.00 O ATOM 591 CB ASN A 35 6.556 -9.312 -20.233 1.00 0.00 C ATOM 592 CG ASN A 35 5.831 -8.633 -21.382 1.00 0.00 C ATOM 593 OD1 ASN A 35 6.461 -8.046 -22.263 1.00 0.00 O ATOM 594 ND2 ASN A 35 4.512 -8.708 -21.396 1.00 0.00 N ATOM 0 H ASN A 35 6.032 -7.289 -18.844 1.00 0.00 H new ATOM 0 HA ASN A 35 4.748 -9.768 -19.171 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.489 -8.782 -20.039 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.822 -10.326 -20.531 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.984 -8.272 -22.152 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.021 -9.202 -20.651 1.00 0.00 H new ATOM 601 N SER A 36 7.056 -9.701 -16.932 1.00 0.00 N ATOM 602 CA SER A 36 7.655 -10.476 -15.860 1.00 0.00 C ATOM 603 C SER A 36 6.575 -11.302 -15.162 1.00 0.00 C ATOM 604 O SER A 36 6.777 -12.476 -14.847 1.00 0.00 O ATOM 605 CB SER A 36 8.352 -9.547 -14.866 1.00 0.00 C ATOM 606 OG SER A 36 7.500 -8.483 -14.473 1.00 0.00 O ATOM 0 H SER A 36 7.159 -8.691 -16.833 1.00 0.00 H new ATOM 0 HA SER A 36 8.402 -11.153 -16.275 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.658 -10.115 -13.987 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.259 -9.143 -15.316 1.00 0.00 H new ATOM 0 HG SER A 36 7.567 -7.753 -15.124 1.00 0.00 H new ATOM 612 N THR A 37 5.418 -10.665 -14.970 1.00 0.00 N ATOM 613 CA THR A 37 4.252 -11.289 -14.362 1.00 0.00 C ATOM 614 C THR A 37 4.611 -11.984 -13.045 1.00 0.00 C ATOM 615 O THR A 37 4.526 -13.205 -12.912 1.00 0.00 O ATOM 616 CB THR A 37 3.580 -12.272 -15.344 1.00 0.00 C ATOM 617 OG1 THR A 37 3.419 -11.632 -16.619 1.00 0.00 O ATOM 618 CG2 THR A 37 2.216 -12.718 -14.832 1.00 0.00 C ATOM 0 H THR A 37 5.268 -9.692 -15.237 1.00 0.00 H new ATOM 0 HA THR A 37 3.537 -10.500 -14.130 1.00 0.00 H new ATOM 0 HB THR A 37 4.217 -13.152 -15.438 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.615 -10.676 -16.532 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.768 -13.410 -15.545 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.334 -13.215 -13.869 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.569 -11.848 -14.715 1.00 0.00 H new ATOM 626 N GLN A 38 5.039 -11.184 -12.081 1.00 0.00 N ATOM 627 CA GLN A 38 5.396 -11.681 -10.763 1.00 0.00 C ATOM 628 C GLN A 38 4.692 -10.836 -9.710 1.00 0.00 C ATOM 629 O GLN A 38 4.388 -9.675 -9.973 1.00 0.00 O ATOM 630 CB GLN A 38 6.919 -11.638 -10.572 1.00 0.00 C ATOM 631 CG GLN A 38 7.673 -12.475 -11.594 1.00 0.00 C ATOM 632 CD GLN A 38 9.178 -12.450 -11.402 1.00 0.00 C ATOM 633 OE1 GLN A 38 9.936 -12.557 -12.364 1.00 0.00 O ATOM 634 NE2 GLN A 38 9.620 -12.324 -10.162 1.00 0.00 N ATOM 0 H GLN A 38 5.148 -10.176 -12.190 1.00 0.00 H new ATOM 0 HA GLN A 38 5.078 -12.718 -10.661 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.258 -10.604 -10.637 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.164 -11.991 -9.570 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.324 -13.506 -11.537 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.436 -12.113 -12.595 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.958 -12.238 -9.391 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.623 -12.313 -9.977 1.00 0.00 H new ATOM 643 N PRO A 39 4.423 -11.403 -8.517 1.00 0.00 N ATOM 644 CA PRO A 39 3.653 -10.729 -7.454 1.00 0.00 C ATOM 645 C PRO A 39 4.074 -9.279 -7.224 1.00 0.00 C ATOM 646 O PRO A 39 3.237 -8.378 -7.180 1.00 0.00 O ATOM 647 CB PRO A 39 3.957 -11.575 -6.219 1.00 0.00 C ATOM 648 CG PRO A 39 4.212 -12.941 -6.752 1.00 0.00 C ATOM 649 CD PRO A 39 4.848 -12.757 -8.106 1.00 0.00 C ATOM 0 HA PRO A 39 2.595 -10.664 -7.707 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.823 -11.192 -5.680 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.120 -11.572 -5.521 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.869 -13.501 -6.087 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.283 -13.506 -6.833 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.934 -12.836 -8.051 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.509 -13.514 -8.813 1.00 0.00 H new ATOM 657 N PHE A 40 5.371 -9.068 -7.084 1.00 0.00 N ATOM 658 CA PHE A 40 5.914 -7.728 -6.883 1.00 0.00 C ATOM 659 C PHE A 40 6.708 -7.293 -8.107 1.00 0.00 C ATOM 660 O PHE A 40 7.376 -6.260 -8.085 1.00 0.00 O ATOM 661 CB PHE A 40 6.820 -7.687 -5.649 1.00 0.00 C ATOM 662 CG PHE A 40 6.126 -8.022 -4.359 1.00 0.00 C ATOM 663 CD1 PHE A 40 5.827 -9.336 -4.039 1.00 0.00 C ATOM 664 CD2 PHE A 40 5.789 -7.026 -3.459 1.00 0.00 C ATOM 665 CE1 PHE A 40 5.207 -9.652 -2.852 1.00 0.00 C ATOM 666 CE2 PHE A 40 5.164 -7.336 -2.269 1.00 0.00 C ATOM 667 CZ PHE A 40 4.875 -8.653 -1.965 1.00 0.00 C ATOM 0 H PHE A 40 6.073 -9.808 -7.105 1.00 0.00 H new ATOM 0 HA PHE A 40 5.078 -7.045 -6.730 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.645 -8.384 -5.795 1.00 0.00 H new ATOM 0 HB3 PHE A 40 7.255 -6.691 -5.566 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.084 -10.124 -4.731 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.018 -5.996 -3.691 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.981 -10.682 -2.617 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.901 -6.551 -1.576 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.389 -8.898 -1.032 1.00 0.00 H new ATOM 677 N PHE A 41 6.618 -8.092 -9.172 1.00 0.00 N ATOM 678 CA PHE A 41 7.388 -7.862 -10.395 1.00 0.00 C ATOM 679 C PHE A 41 8.872 -7.692 -10.073 1.00 0.00 C ATOM 680 O PHE A 41 9.573 -6.908 -10.717 1.00 0.00 O ATOM 681 CB PHE A 41 6.849 -6.638 -11.142 1.00 0.00 C ATOM 682 CG PHE A 41 5.423 -6.795 -11.596 1.00 0.00 C ATOM 683 CD1 PHE A 41 5.128 -7.447 -12.782 1.00 0.00 C ATOM 684 CD2 PHE A 41 4.379 -6.295 -10.835 1.00 0.00 C ATOM 685 CE1 PHE A 41 3.820 -7.597 -13.201 1.00 0.00 C ATOM 686 CE2 PHE A 41 3.070 -6.442 -11.248 1.00 0.00 C ATOM 687 CZ PHE A 41 2.790 -7.094 -12.433 1.00 0.00 C ATOM 0 H PHE A 41 6.013 -8.912 -9.211 1.00 0.00 H new ATOM 0 HA PHE A 41 7.280 -8.733 -11.041 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.922 -5.765 -10.494 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.480 -6.444 -12.010 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.930 -7.843 -13.387 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.592 -5.784 -9.908 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.604 -8.107 -14.128 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.266 -6.048 -10.645 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.767 -7.210 -12.758 1.00 0.00 H new ATOM 697 N MET A 42 9.341 -8.478 -9.100 1.00 0.00 N ATOM 698 CA MET A 42 10.699 -8.372 -8.562 1.00 0.00 C ATOM 699 C MET A 42 11.752 -8.912 -9.540 1.00 0.00 C ATOM 700 O MET A 42 12.604 -9.728 -9.178 1.00 0.00 O ATOM 701 CB MET A 42 10.791 -9.128 -7.225 1.00 0.00 C ATOM 702 CG MET A 42 10.466 -10.616 -7.324 1.00 0.00 C ATOM 703 SD MET A 42 8.693 -10.963 -7.393 1.00 0.00 S ATOM 704 CE MET A 42 8.298 -10.997 -5.644 1.00 0.00 C ATOM 0 H MET A 42 8.784 -9.211 -8.661 1.00 0.00 H new ATOM 0 HA MET A 42 10.909 -7.314 -8.405 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.798 -9.013 -6.824 1.00 0.00 H new ATOM 0 HB3 MET A 42 10.109 -8.665 -6.511 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.943 -11.026 -8.214 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.896 -11.132 -6.465 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.319 -11.455 -5.501 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.052 -11.577 -5.112 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.282 -9.979 -5.255 1.00 0.00 H new ATOM 714 N ASP A 43 11.706 -8.427 -10.768 1.00 0.00 N ATOM 715 CA ASP A 43 12.648 -8.842 -11.795 1.00 0.00 C ATOM 716 C ASP A 43 12.859 -7.718 -12.793 1.00 0.00 C ATOM 717 O ASP A 43 13.933 -7.120 -12.856 1.00 0.00 O ATOM 718 CB ASP A 43 12.141 -10.090 -12.525 1.00 0.00 C ATOM 719 CG ASP A 43 13.128 -10.595 -13.560 1.00 0.00 C ATOM 720 OD1 ASP A 43 13.056 -10.162 -14.727 1.00 0.00 O ATOM 721 OD2 ASP A 43 13.982 -11.432 -13.209 1.00 0.00 O ATOM 0 H ASP A 43 11.021 -7.740 -11.081 1.00 0.00 H new ATOM 0 HA ASP A 43 13.596 -9.081 -11.312 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.945 -10.878 -11.798 1.00 0.00 H new ATOM 0 HB3 ASP A 43 11.193 -9.863 -13.012 1.00 0.00 H new ATOM 726 N THR A 44 11.815 -7.417 -13.548 1.00 0.00 N ATOM 727 CA THR A 44 11.884 -6.419 -14.601 1.00 0.00 C ATOM 728 C THR A 44 11.769 -5.000 -14.039 1.00 0.00 C ATOM 729 O THR A 44 12.237 -4.040 -14.653 1.00 0.00 O ATOM 730 CB THR A 44 10.771 -6.675 -15.636 1.00 0.00 C ATOM 731 OG1 THR A 44 10.759 -8.065 -15.982 1.00 0.00 O ATOM 732 CG2 THR A 44 10.977 -5.855 -16.898 1.00 0.00 C ATOM 0 H THR A 44 10.900 -7.856 -13.448 1.00 0.00 H new ATOM 0 HA THR A 44 12.857 -6.504 -15.085 1.00 0.00 H new ATOM 0 HB THR A 44 9.822 -6.380 -15.188 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.298 -8.185 -16.839 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.172 -6.063 -17.603 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.974 -4.794 -16.647 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.933 -6.118 -17.351 1.00 0.00 H new ATOM 740 N MET A 45 11.156 -4.868 -12.867 1.00 0.00 N ATOM 741 CA MET A 45 11.006 -3.564 -12.231 1.00 0.00 C ATOM 742 C MET A 45 11.506 -3.603 -10.795 1.00 0.00 C ATOM 743 O MET A 45 11.669 -4.678 -10.212 1.00 0.00 O ATOM 744 CB MET A 45 9.544 -3.104 -12.255 1.00 0.00 C ATOM 745 CG MET A 45 9.038 -2.731 -13.638 1.00 0.00 C ATOM 746 SD MET A 45 7.353 -2.085 -13.621 1.00 0.00 S ATOM 747 CE MET A 45 6.440 -3.510 -13.032 1.00 0.00 C ATOM 0 H MET A 45 10.757 -5.645 -12.340 1.00 0.00 H new ATOM 0 HA MET A 45 11.606 -2.852 -12.797 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.917 -3.899 -11.852 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.433 -2.244 -11.594 1.00 0.00 H new ATOM 0 HG2 MET A 45 9.703 -1.985 -14.073 1.00 0.00 H new ATOM 0 HG3 MET A 45 9.078 -3.609 -14.283 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.376 -3.363 -13.218 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.780 -4.403 -13.557 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.607 -3.633 -11.962 1.00 0.00 H new ATOM 757 N GLU A 46 11.759 -2.428 -10.239 1.00 0.00 N ATOM 758 CA GLU A 46 12.170 -2.307 -8.850 1.00 0.00 C ATOM 759 C GLU A 46 10.982 -2.530 -7.922 1.00 0.00 C ATOM 760 O GLU A 46 9.895 -2.006 -8.164 1.00 0.00 O ATOM 761 CB GLU A 46 12.775 -0.924 -8.588 1.00 0.00 C ATOM 762 CG GLU A 46 14.171 -0.747 -9.157 1.00 0.00 C ATOM 763 CD GLU A 46 15.199 -1.583 -8.428 1.00 0.00 C ATOM 764 OE1 GLU A 46 15.711 -1.124 -7.384 1.00 0.00 O ATOM 765 OE2 GLU A 46 15.500 -2.700 -8.885 1.00 0.00 O ATOM 0 H GLU A 46 11.686 -1.539 -10.733 1.00 0.00 H new ATOM 0 HA GLU A 46 12.925 -3.068 -8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.120 -0.165 -9.015 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.807 -0.750 -7.513 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.168 -1.019 -10.213 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.454 0.304 -9.099 1.00 0.00 H new ATOM 772 N PRO A 47 11.176 -3.305 -6.844 1.00 0.00 N ATOM 773 CA PRO A 47 10.123 -3.566 -5.856 1.00 0.00 C ATOM 774 C PRO A 47 9.586 -2.278 -5.230 1.00 0.00 C ATOM 775 O PRO A 47 8.470 -2.241 -4.720 1.00 0.00 O ATOM 776 CB PRO A 47 10.823 -4.427 -4.799 1.00 0.00 C ATOM 777 CG PRO A 47 11.991 -5.027 -5.503 1.00 0.00 C ATOM 778 CD PRO A 47 12.429 -4.007 -6.515 1.00 0.00 C ATOM 0 HA PRO A 47 9.255 -4.049 -6.305 1.00 0.00 H new ATOM 0 HB2 PRO A 47 11.142 -3.825 -3.948 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.156 -5.198 -4.413 1.00 0.00 H new ATOM 0 HG2 PRO A 47 12.795 -5.253 -4.803 1.00 0.00 H new ATOM 0 HG3 PRO A 47 11.716 -5.964 -5.987 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.176 -3.328 -6.105 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.872 -4.475 -7.394 1.00 0.00 H new ATOM 786 N LEU A 48 10.385 -1.220 -5.282 1.00 0.00 N ATOM 787 CA LEU A 48 9.985 0.075 -4.745 1.00 0.00 C ATOM 788 C LEU A 48 8.959 0.748 -5.659 1.00 0.00 C ATOM 789 O LEU A 48 8.032 1.409 -5.189 1.00 0.00 O ATOM 790 CB LEU A 48 11.212 0.977 -4.575 1.00 0.00 C ATOM 791 CG LEU A 48 10.936 2.345 -3.949 1.00 0.00 C ATOM 792 CD1 LEU A 48 10.374 2.192 -2.542 1.00 0.00 C ATOM 793 CD2 LEU A 48 12.204 3.182 -3.929 1.00 0.00 C ATOM 0 H LEU A 48 11.319 -1.233 -5.693 1.00 0.00 H new ATOM 0 HA LEU A 48 9.524 -0.085 -3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.944 0.455 -3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.669 1.129 -5.553 1.00 0.00 H new ATOM 0 HG LEU A 48 10.191 2.857 -4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.185 3.178 -2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.441 1.629 -2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.093 1.659 -1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.992 4.153 -3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.968 2.671 -3.343 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.563 3.324 -4.949 1.00 0.00 H new ATOM 805 N GLU A 49 9.117 0.552 -6.964 1.00 0.00 N ATOM 806 CA GLU A 49 8.218 1.145 -7.949 1.00 0.00 C ATOM 807 C GLU A 49 6.851 0.472 -7.881 1.00 0.00 C ATOM 808 O GLU A 49 5.835 1.042 -8.291 1.00 0.00 O ATOM 809 CB GLU A 49 8.797 0.991 -9.356 1.00 0.00 C ATOM 810 CG GLU A 49 10.252 1.417 -9.476 1.00 0.00 C ATOM 811 CD GLU A 49 10.478 2.874 -9.134 1.00 0.00 C ATOM 812 OE1 GLU A 49 10.220 3.734 -9.995 1.00 0.00 O ATOM 813 OE2 GLU A 49 10.936 3.162 -8.010 1.00 0.00 O ATOM 0 H GLU A 49 9.863 -0.016 -7.366 1.00 0.00 H new ATOM 0 HA GLU A 49 8.108 2.206 -7.725 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.708 -0.051 -9.662 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.198 1.580 -10.051 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.861 0.797 -8.817 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.595 1.232 -10.494 1.00 0.00 H new ATOM 820 N TRP A 50 6.842 -0.746 -7.345 1.00 0.00 N ATOM 821 CA TRP A 50 5.626 -1.536 -7.206 1.00 0.00 C ATOM 822 C TRP A 50 4.591 -0.798 -6.357 1.00 0.00 C ATOM 823 O TRP A 50 3.388 -0.905 -6.595 1.00 0.00 O ATOM 824 CB TRP A 50 5.975 -2.890 -6.578 1.00 0.00 C ATOM 825 CG TRP A 50 4.842 -3.872 -6.557 1.00 0.00 C ATOM 826 CD1 TRP A 50 4.377 -4.608 -7.605 1.00 0.00 C ATOM 827 CD2 TRP A 50 4.044 -4.238 -5.426 1.00 0.00 C ATOM 828 NE1 TRP A 50 3.334 -5.404 -7.198 1.00 0.00 N ATOM 829 CE2 TRP A 50 3.110 -5.194 -5.865 1.00 0.00 C ATOM 830 CE3 TRP A 50 4.025 -3.846 -4.088 1.00 0.00 C ATOM 831 CZ2 TRP A 50 2.172 -5.766 -5.012 1.00 0.00 C ATOM 832 CZ3 TRP A 50 3.095 -4.413 -3.241 1.00 0.00 C ATOM 833 CH2 TRP A 50 2.179 -5.364 -3.706 1.00 0.00 C ATOM 0 H TRP A 50 7.679 -1.212 -6.995 1.00 0.00 H new ATOM 0 HA TRP A 50 5.189 -1.697 -8.192 1.00 0.00 H new ATOM 0 HB2 TRP A 50 6.809 -3.327 -7.127 1.00 0.00 H new ATOM 0 HB3 TRP A 50 6.317 -2.726 -5.556 1.00 0.00 H new ATOM 0 HD1 TRP A 50 4.771 -4.571 -8.610 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.812 -6.047 -7.793 1.00 0.00 H new ATOM 0 HE3 TRP A 50 4.726 -3.111 -3.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.465 -6.500 -5.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.073 -4.118 -2.202 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.463 -5.789 -3.018 1.00 0.00 H new ATOM 844 N LEU A 51 5.067 -0.028 -5.385 1.00 0.00 N ATOM 845 CA LEU A 51 4.188 0.744 -4.510 1.00 0.00 C ATOM 846 C LEU A 51 3.425 1.808 -5.288 1.00 0.00 C ATOM 847 O LEU A 51 2.244 2.051 -5.036 1.00 0.00 O ATOM 848 CB LEU A 51 5.001 1.424 -3.403 1.00 0.00 C ATOM 849 CG LEU A 51 5.613 0.491 -2.358 1.00 0.00 C ATOM 850 CD1 LEU A 51 6.550 1.263 -1.444 1.00 0.00 C ATOM 851 CD2 LEU A 51 4.521 -0.185 -1.544 1.00 0.00 C ATOM 0 H LEU A 51 6.061 0.079 -5.181 1.00 0.00 H new ATOM 0 HA LEU A 51 3.473 0.048 -4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.805 1.995 -3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.356 2.139 -2.891 1.00 0.00 H new ATOM 0 HG LEU A 51 6.186 -0.278 -2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.978 0.585 -0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.350 1.708 -2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.995 2.051 -0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.974 -0.846 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.924 0.572 -1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.881 -0.767 -2.207 1.00 0.00 H new ATOM 863 N GLN A 52 4.103 2.420 -6.250 1.00 0.00 N ATOM 864 CA GLN A 52 3.579 3.592 -6.936 1.00 0.00 C ATOM 865 C GLN A 52 2.464 3.234 -7.912 1.00 0.00 C ATOM 866 O GLN A 52 1.290 3.500 -7.661 1.00 0.00 O ATOM 867 CB GLN A 52 4.700 4.308 -7.692 1.00 0.00 C ATOM 868 CG GLN A 52 5.953 4.544 -6.866 1.00 0.00 C ATOM 869 CD GLN A 52 7.036 5.264 -7.643 1.00 0.00 C ATOM 870 OE1 GLN A 52 6.755 6.097 -8.508 1.00 0.00 O ATOM 871 NE2 GLN A 52 8.281 4.928 -7.359 1.00 0.00 N ATOM 0 H GLN A 52 5.023 2.121 -6.574 1.00 0.00 H new ATOM 0 HA GLN A 52 3.163 4.250 -6.173 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.963 3.721 -8.572 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.327 5.268 -8.049 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.696 5.128 -5.982 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.338 3.587 -6.515 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.470 4.234 -6.636 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.054 5.362 -7.863 1.00 0.00 H new ATOM 880 N TRP A 53 2.833 2.609 -9.020 1.00 0.00 N ATOM 881 CA TRP A 53 1.905 2.430 -10.129 1.00 0.00 C ATOM 882 C TRP A 53 1.281 1.042 -10.149 1.00 0.00 C ATOM 883 O TRP A 53 0.540 0.708 -11.072 1.00 0.00 O ATOM 884 CB TRP A 53 2.614 2.712 -11.455 1.00 0.00 C ATOM 885 CG TRP A 53 3.095 4.125 -11.567 1.00 0.00 C ATOM 886 CD1 TRP A 53 4.350 4.589 -11.301 1.00 0.00 C ATOM 887 CD2 TRP A 53 2.321 5.261 -11.962 1.00 0.00 C ATOM 888 NE1 TRP A 53 4.402 5.945 -11.509 1.00 0.00 N ATOM 889 CE2 TRP A 53 3.171 6.380 -11.916 1.00 0.00 C ATOM 890 CE3 TRP A 53 0.990 5.440 -12.353 1.00 0.00 C ATOM 891 CZ2 TRP A 53 2.733 7.659 -12.244 1.00 0.00 C ATOM 892 CZ3 TRP A 53 0.557 6.710 -12.680 1.00 0.00 C ATOM 893 CH2 TRP A 53 1.427 7.806 -12.625 1.00 0.00 C ATOM 0 H TRP A 53 3.762 2.219 -9.176 1.00 0.00 H new ATOM 0 HA TRP A 53 1.092 3.142 -9.989 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.462 2.035 -11.559 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.933 2.499 -12.279 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.180 3.980 -10.975 1.00 0.00 H new ATOM 0 HE1 TRP A 53 5.226 6.533 -11.381 1.00 0.00 H new ATOM 0 HE3 TRP A 53 0.313 4.600 -12.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 3.401 8.507 -12.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.469 6.860 -12.983 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.060 8.787 -12.889 1.00 0.00 H new ATOM 904 N VAL A 54 1.560 0.234 -9.136 1.00 0.00 N ATOM 905 CA VAL A 54 0.968 -1.092 -9.075 1.00 0.00 C ATOM 906 C VAL A 54 0.090 -1.250 -7.839 1.00 0.00 C ATOM 907 O VAL A 54 -1.130 -1.235 -7.947 1.00 0.00 O ATOM 908 CB VAL A 54 2.023 -2.219 -9.096 1.00 0.00 C ATOM 909 CG1 VAL A 54 1.338 -3.578 -9.171 1.00 0.00 C ATOM 910 CG2 VAL A 54 2.992 -2.038 -10.259 1.00 0.00 C ATOM 0 H VAL A 54 2.180 0.468 -8.360 1.00 0.00 H new ATOM 0 HA VAL A 54 0.356 -1.186 -9.972 1.00 0.00 H new ATOM 0 HB VAL A 54 2.599 -2.169 -8.172 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.092 -4.365 -9.185 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.693 -3.709 -8.302 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.738 -3.634 -10.079 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.725 -2.845 -10.251 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.440 -2.058 -11.199 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.505 -1.081 -10.160 1.00 0.00 H new ATOM 920 N LEU A 55 0.717 -1.369 -6.671 1.00 0.00 N ATOM 921 CA LEU A 55 0.008 -1.696 -5.431 1.00 0.00 C ATOM 922 C LEU A 55 -1.201 -0.797 -5.185 1.00 0.00 C ATOM 923 O LEU A 55 -2.326 -1.286 -5.066 1.00 0.00 O ATOM 924 CB LEU A 55 0.952 -1.612 -4.229 1.00 0.00 C ATOM 925 CG LEU A 55 0.286 -1.869 -2.872 1.00 0.00 C ATOM 926 CD1 LEU A 55 -0.332 -3.255 -2.831 1.00 0.00 C ATOM 927 CD2 LEU A 55 1.286 -1.697 -1.740 1.00 0.00 C ATOM 0 H LEU A 55 1.723 -1.243 -6.555 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.355 -2.717 -5.549 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.757 -2.334 -4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.410 -0.623 -4.212 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.509 -1.135 -2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.799 -3.417 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.085 -3.341 -3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.444 -4.004 -2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.792 -1.884 -0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.106 -2.403 -1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.678 -0.680 -1.752 1.00 0.00 H new ATOM 939 N ILE A 56 -0.972 0.505 -5.104 1.00 0.00 N ATOM 940 CA ILE A 56 -2.039 1.439 -4.767 1.00 0.00 C ATOM 941 C ILE A 56 -3.173 1.421 -5.809 1.00 0.00 C ATOM 942 O ILE A 56 -4.333 1.223 -5.438 1.00 0.00 O ATOM 943 CB ILE A 56 -1.495 2.870 -4.550 1.00 0.00 C ATOM 944 CG1 ILE A 56 -0.545 2.885 -3.348 1.00 0.00 C ATOM 945 CG2 ILE A 56 -2.636 3.856 -4.342 1.00 0.00 C ATOM 946 CD1 ILE A 56 0.063 4.241 -3.064 1.00 0.00 C ATOM 0 H ILE A 56 -0.063 0.938 -5.266 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.467 1.103 -3.822 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.946 3.176 -5.441 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.087 2.549 -2.464 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.257 2.167 -3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.230 4.856 -4.191 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.282 3.855 -5.220 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.214 3.564 -3.466 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.723 4.170 -2.199 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.635 4.572 -3.931 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.730 4.959 -2.857 1.00 0.00 H new ATOM 958 N PRO A 57 -2.883 1.609 -7.120 1.00 0.00 N ATOM 959 CA PRO A 57 -3.915 1.511 -8.166 1.00 0.00 C ATOM 960 C PRO A 57 -4.612 0.149 -8.167 1.00 0.00 C ATOM 961 O PRO A 57 -5.827 0.063 -8.351 1.00 0.00 O ATOM 962 CB PRO A 57 -3.136 1.711 -9.470 1.00 0.00 C ATOM 963 CG PRO A 57 -1.907 2.447 -9.070 1.00 0.00 C ATOM 964 CD PRO A 57 -1.565 1.954 -7.693 1.00 0.00 C ATOM 0 HA PRO A 57 -4.710 2.242 -8.017 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.891 0.756 -9.935 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.718 2.279 -10.196 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.092 2.255 -9.768 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.079 3.523 -9.069 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.902 1.089 -7.728 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.059 2.720 -7.105 1.00 0.00 H new ATOM 972 N ARG A 58 -3.833 -0.907 -7.950 1.00 0.00 N ATOM 973 CA ARG A 58 -4.356 -2.269 -7.923 1.00 0.00 C ATOM 974 C ARG A 58 -5.382 -2.430 -6.808 1.00 0.00 C ATOM 975 O ARG A 58 -6.506 -2.876 -7.042 1.00 0.00 O ATOM 976 CB ARG A 58 -3.210 -3.263 -7.722 1.00 0.00 C ATOM 977 CG ARG A 58 -3.610 -4.723 -7.832 1.00 0.00 C ATOM 978 CD ARG A 58 -2.426 -5.630 -7.545 1.00 0.00 C ATOM 979 NE ARG A 58 -2.739 -7.036 -7.779 1.00 0.00 N ATOM 980 CZ ARG A 58 -2.280 -8.037 -7.031 1.00 0.00 C ATOM 981 NH1 ARG A 58 -1.532 -7.785 -5.964 1.00 0.00 N ATOM 982 NH2 ARG A 58 -2.571 -9.292 -7.347 1.00 0.00 N ATOM 0 H ARG A 58 -2.828 -0.844 -7.789 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.846 -2.470 -8.876 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.434 -3.056 -8.459 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.769 -3.094 -6.740 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.416 -4.938 -7.131 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.995 -4.925 -8.832 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.585 -5.337 -8.174 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.111 -5.497 -6.510 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.347 -7.266 -8.565 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.307 -6.822 -5.715 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.182 -8.555 -5.393 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.147 -9.492 -8.164 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.218 -10.057 -6.773 1.00 0.00 H new ATOM 996 N MET A 59 -4.991 -2.044 -5.598 1.00 0.00 N ATOM 997 CA MET A 59 -5.863 -2.170 -4.437 1.00 0.00 C ATOM 998 C MET A 59 -7.066 -1.247 -4.556 1.00 0.00 C ATOM 999 O MET A 59 -8.145 -1.564 -4.062 1.00 0.00 O ATOM 1000 CB MET A 59 -5.097 -1.882 -3.144 1.00 0.00 C ATOM 1001 CG MET A 59 -4.064 -2.944 -2.807 1.00 0.00 C ATOM 1002 SD MET A 59 -4.789 -4.591 -2.683 1.00 0.00 S ATOM 1003 CE MET A 59 -3.338 -5.584 -2.349 1.00 0.00 C ATOM 0 H MET A 59 -4.076 -1.641 -5.396 1.00 0.00 H new ATOM 0 HA MET A 59 -6.222 -3.198 -4.402 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.599 -0.916 -3.232 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.806 -1.801 -2.320 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.288 -2.948 -3.572 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.580 -2.691 -1.864 1.00 0.00 H new ATOM 0 HE1 MET A 59 -3.582 -6.639 -2.475 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.542 -5.310 -3.042 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.004 -5.408 -1.326 1.00 0.00 H new ATOM 1013 N HIS A 60 -6.881 -0.108 -5.219 1.00 0.00 N ATOM 1014 CA HIS A 60 -7.985 0.814 -5.473 1.00 0.00 C ATOM 1015 C HIS A 60 -9.125 0.100 -6.190 1.00 0.00 C ATOM 1016 O HIS A 60 -10.292 0.258 -5.837 1.00 0.00 O ATOM 1017 CB HIS A 60 -7.524 2.008 -6.313 1.00 0.00 C ATOM 1018 CG HIS A 60 -7.243 3.246 -5.519 1.00 0.00 C ATOM 1019 ND1 HIS A 60 -8.216 4.164 -5.197 1.00 0.00 N ATOM 1020 CD2 HIS A 60 -6.091 3.729 -5.001 1.00 0.00 C ATOM 1021 CE1 HIS A 60 -7.676 5.159 -4.522 1.00 0.00 C ATOM 1022 NE2 HIS A 60 -6.386 4.922 -4.386 1.00 0.00 N ATOM 0 H HIS A 60 -5.981 0.198 -5.589 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.338 1.179 -4.508 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -6.623 1.728 -6.859 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.290 2.232 -7.056 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.118 3.263 -5.060 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -8.202 6.023 -4.144 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -5.718 5.524 -3.904 1.00 0.00 H new ATOM 1031 N ASP A 61 -8.772 -0.704 -7.182 1.00 0.00 N ATOM 1032 CA ASP A 61 -9.765 -1.426 -7.964 1.00 0.00 C ATOM 1033 C ASP A 61 -10.296 -2.622 -7.182 1.00 0.00 C ATOM 1034 O ASP A 61 -11.476 -2.951 -7.267 1.00 0.00 O ATOM 1035 CB ASP A 61 -9.169 -1.878 -9.296 1.00 0.00 C ATOM 1036 CG ASP A 61 -10.218 -2.419 -10.246 1.00 0.00 C ATOM 1037 OD1 ASP A 61 -11.088 -1.635 -10.682 1.00 0.00 O ATOM 1038 OD2 ASP A 61 -10.167 -3.620 -10.573 1.00 0.00 O ATOM 0 H ASP A 61 -7.807 -0.873 -7.464 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.598 -0.754 -8.169 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.657 -1.038 -9.765 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.418 -2.647 -9.113 1.00 0.00 H new ATOM 1043 N LEU A 62 -9.421 -3.254 -6.404 1.00 0.00 N ATOM 1044 CA LEU A 62 -9.819 -4.360 -5.530 1.00 0.00 C ATOM 1045 C LEU A 62 -10.931 -3.915 -4.583 1.00 0.00 C ATOM 1046 O LEU A 62 -11.908 -4.637 -4.353 1.00 0.00 O ATOM 1047 CB LEU A 62 -8.620 -4.847 -4.709 1.00 0.00 C ATOM 1048 CG LEU A 62 -8.913 -5.998 -3.741 1.00 0.00 C ATOM 1049 CD1 LEU A 62 -8.912 -7.333 -4.470 1.00 0.00 C ATOM 1050 CD2 LEU A 62 -7.910 -6.006 -2.598 1.00 0.00 C ATOM 0 H LEU A 62 -8.429 -3.020 -6.359 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.183 -5.175 -6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.835 -5.163 -5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.226 -4.006 -4.139 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.907 -5.844 -3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.122 -8.134 -3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.677 -7.324 -5.246 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.936 -7.498 -4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.135 -6.831 -1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.904 -6.129 -2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.971 -5.064 -2.054 1.00 0.00 H new ATOM 1062 N LEU A 63 -10.767 -2.718 -4.036 1.00 0.00 N ATOM 1063 CA LEU A 63 -11.750 -2.133 -3.140 1.00 0.00 C ATOM 1064 C LEU A 63 -13.009 -1.761 -3.909 1.00 0.00 C ATOM 1065 O LEU A 63 -14.123 -1.914 -3.410 1.00 0.00 O ATOM 1066 CB LEU A 63 -11.168 -0.893 -2.466 1.00 0.00 C ATOM 1067 CG LEU A 63 -9.867 -1.132 -1.704 1.00 0.00 C ATOM 1068 CD1 LEU A 63 -9.246 0.188 -1.289 1.00 0.00 C ATOM 1069 CD2 LEU A 63 -10.114 -2.016 -0.493 1.00 0.00 C ATOM 0 H LEU A 63 -9.951 -2.129 -4.201 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.008 -2.867 -2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.993 -0.131 -3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.909 -0.490 -1.775 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.168 -1.646 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.319 -0.000 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.033 0.785 -2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.939 0.730 -0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.176 -2.176 0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.829 -1.531 0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.514 -2.976 -0.819 1.00 0.00 H new ATOM 1081 N ASP A 64 -12.818 -1.283 -5.133 1.00 0.00 N ATOM 1082 CA ASP A 64 -13.929 -0.923 -6.009 1.00 0.00 C ATOM 1083 C ASP A 64 -14.778 -2.147 -6.332 1.00 0.00 C ATOM 1084 O ASP A 64 -16.003 -2.056 -6.446 1.00 0.00 O ATOM 1085 CB ASP A 64 -13.407 -0.294 -7.303 1.00 0.00 C ATOM 1086 CG ASP A 64 -14.517 0.078 -8.267 1.00 0.00 C ATOM 1087 OD1 ASP A 64 -15.074 1.190 -8.137 1.00 0.00 O ATOM 1088 OD2 ASP A 64 -14.830 -0.733 -9.163 1.00 0.00 O ATOM 0 H ASP A 64 -11.897 -1.134 -5.545 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.550 -0.195 -5.488 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.829 0.598 -7.060 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.727 -0.992 -7.792 1.00 0.00 H new ATOM 1093 N ASN A 65 -14.121 -3.296 -6.470 1.00 0.00 N ATOM 1094 CA ASN A 65 -14.815 -4.555 -6.733 1.00 0.00 C ATOM 1095 C ASN A 65 -15.572 -5.021 -5.491 1.00 0.00 C ATOM 1096 O ASN A 65 -16.434 -5.896 -5.576 1.00 0.00 O ATOM 1097 CB ASN A 65 -13.831 -5.651 -7.162 1.00 0.00 C ATOM 1098 CG ASN A 65 -13.038 -5.316 -8.414 1.00 0.00 C ATOM 1099 OD1 ASN A 65 -11.909 -5.781 -8.584 1.00 0.00 O ATOM 1100 ND2 ASN A 65 -13.613 -4.519 -9.302 1.00 0.00 N ATOM 0 H ASN A 65 -13.107 -3.382 -6.404 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.521 -4.375 -7.544 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -13.136 -5.841 -6.344 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.384 -6.575 -7.331 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -13.120 -4.272 -10.160 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -14.549 -4.153 -9.128 1.00 0.00 H new ATOM 1107 N LYS A 66 -15.231 -4.430 -4.343 1.00 0.00 N ATOM 1108 CA LYS A 66 -15.853 -4.762 -3.057 1.00 0.00 C ATOM 1109 C LYS A 66 -15.573 -6.211 -2.670 1.00 0.00 C ATOM 1110 O LYS A 66 -16.416 -6.886 -2.078 1.00 0.00 O ATOM 1111 CB LYS A 66 -17.362 -4.504 -3.094 1.00 0.00 C ATOM 1112 CG LYS A 66 -17.730 -3.043 -3.300 1.00 0.00 C ATOM 1113 CD LYS A 66 -19.235 -2.848 -3.300 1.00 0.00 C ATOM 1114 CE LYS A 66 -19.612 -1.399 -3.555 1.00 0.00 C ATOM 1115 NZ LYS A 66 -21.085 -1.215 -3.630 1.00 0.00 N ATOM 0 H LYS A 66 -14.515 -3.707 -4.278 1.00 0.00 H new ATOM 0 HA LYS A 66 -15.411 -4.113 -2.300 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.803 -5.097 -3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -17.804 -4.852 -2.160 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.283 -2.438 -2.511 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -17.316 -2.691 -4.245 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.684 -3.481 -4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -19.644 -3.167 -2.341 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.208 -0.773 -2.759 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -19.156 -1.064 -4.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.301 -0.213 -3.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -21.468 -1.792 -4.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -21.518 -1.511 -2.732 1.00 0.00 H new ATOM 1129 N GLN A 67 -14.374 -6.673 -2.989 1.00 0.00 N ATOM 1130 CA GLN A 67 -13.962 -8.028 -2.645 1.00 0.00 C ATOM 1131 C GLN A 67 -13.672 -8.133 -1.150 1.00 0.00 C ATOM 1132 O GLN A 67 -13.311 -7.141 -0.517 1.00 0.00 O ATOM 1133 CB GLN A 67 -12.721 -8.425 -3.452 1.00 0.00 C ATOM 1134 CG GLN A 67 -12.950 -8.420 -4.956 1.00 0.00 C ATOM 1135 CD GLN A 67 -14.008 -9.416 -5.394 1.00 0.00 C ATOM 1136 OE1 GLN A 67 -14.737 -9.181 -6.354 1.00 0.00 O ATOM 1137 NE2 GLN A 67 -14.088 -10.547 -4.707 1.00 0.00 N ATOM 0 H GLN A 67 -13.668 -6.130 -3.486 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.775 -8.711 -2.891 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.908 -7.740 -3.214 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -12.400 -9.420 -3.144 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -13.247 -7.420 -5.270 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.012 -8.647 -5.462 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.466 -10.708 -3.915 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -14.772 -11.257 -4.971 1.00 0.00 H new ATOM 1146 N PRO A 68 -13.823 -9.338 -0.565 1.00 0.00 N ATOM 1147 CA PRO A 68 -13.564 -9.584 0.866 1.00 0.00 C ATOM 1148 C PRO A 68 -12.074 -9.554 1.217 1.00 0.00 C ATOM 1149 O PRO A 68 -11.655 -10.155 2.210 1.00 0.00 O ATOM 1150 CB PRO A 68 -14.131 -10.992 1.109 1.00 0.00 C ATOM 1151 CG PRO A 68 -14.915 -11.330 -0.115 1.00 0.00 C ATOM 1152 CD PRO A 68 -14.286 -10.559 -1.237 1.00 0.00 C ATOM 0 HA PRO A 68 -14.019 -8.810 1.484 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.330 -11.713 1.272 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.763 -11.011 1.997 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -14.885 -12.401 -0.313 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.963 -11.057 0.006 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.462 -11.107 -1.694 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.002 -10.339 -2.029 1.00 0.00 H new ATOM 1160 N LEU A 69 -11.293 -8.873 0.374 1.00 0.00 N ATOM 1161 CA LEU A 69 -9.867 -8.638 0.601 1.00 0.00 C ATOM 1162 C LEU A 69 -9.051 -9.935 0.614 1.00 0.00 C ATOM 1163 O LEU A 69 -9.600 -11.035 0.707 1.00 0.00 O ATOM 1164 CB LEU A 69 -9.659 -7.846 1.898 1.00 0.00 C ATOM 1165 CG LEU A 69 -10.312 -6.458 1.917 1.00 0.00 C ATOM 1166 CD1 LEU A 69 -9.866 -5.677 3.139 1.00 0.00 C ATOM 1167 CD2 LEU A 69 -9.981 -5.688 0.646 1.00 0.00 C ATOM 0 H LEU A 69 -11.638 -8.465 -0.495 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.499 -8.049 -0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.054 -8.429 2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.589 -7.731 2.069 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.393 -6.591 1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.339 -4.695 3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.155 -6.216 4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.783 -5.558 3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.454 -4.707 0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.901 -5.567 0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.350 -6.238 -0.219 1.00 0.00 H new ATOM 1179 N PRO A 70 -7.715 -9.823 0.475 1.00 0.00 N ATOM 1180 CA PRO A 70 -6.817 -10.978 0.530 1.00 0.00 C ATOM 1181 C PRO A 70 -6.796 -11.617 1.920 1.00 0.00 C ATOM 1182 O PRO A 70 -6.657 -12.830 2.055 1.00 0.00 O ATOM 1183 CB PRO A 70 -5.440 -10.397 0.173 1.00 0.00 C ATOM 1184 CG PRO A 70 -5.711 -9.054 -0.414 1.00 0.00 C ATOM 1185 CD PRO A 70 -6.982 -8.574 0.222 1.00 0.00 C ATOM 0 HA PRO A 70 -7.131 -11.772 -0.147 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.807 -10.318 1.057 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.917 -11.037 -0.538 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.890 -8.367 -0.212 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.816 -9.115 -1.497 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -6.790 -8.024 1.144 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.537 -7.907 -0.437 1.00 0.00 H new ATOM 1193 N GLY A 71 -6.939 -10.794 2.953 1.00 0.00 N ATOM 1194 CA GLY A 71 -7.038 -11.309 4.306 1.00 0.00 C ATOM 1195 C GLY A 71 -5.863 -10.920 5.178 1.00 0.00 C ATOM 1196 O GLY A 71 -6.044 -10.411 6.279 1.00 0.00 O ATOM 0 H GLY A 71 -6.988 -9.778 2.877 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.958 -10.942 4.761 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.112 -12.396 4.270 1.00 0.00 H new ATOM 1200 N ALA A 72 -4.659 -11.157 4.683 1.00 0.00 N ATOM 1201 CA ALA A 72 -3.452 -10.860 5.436 1.00 0.00 C ATOM 1202 C ALA A 72 -2.367 -10.371 4.496 1.00 0.00 C ATOM 1203 O ALA A 72 -1.432 -11.099 4.161 1.00 0.00 O ATOM 1204 CB ALA A 72 -2.985 -12.084 6.209 1.00 0.00 C ATOM 0 H ALA A 72 -4.492 -11.556 3.759 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.672 -10.073 6.158 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.080 -11.839 6.766 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.765 -12.395 6.904 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.774 -12.896 5.513 1.00 0.00 H new ATOM 1210 N PHE A 73 -2.528 -9.149 4.032 1.00 0.00 N ATOM 1211 CA PHE A 73 -1.603 -8.570 3.080 1.00 0.00 C ATOM 1212 C PHE A 73 -0.565 -7.717 3.799 1.00 0.00 C ATOM 1213 O PHE A 73 -0.769 -6.527 4.027 1.00 0.00 O ATOM 1214 CB PHE A 73 -2.369 -7.742 2.045 1.00 0.00 C ATOM 1215 CG PHE A 73 -1.522 -7.252 0.908 1.00 0.00 C ATOM 1216 CD1 PHE A 73 -1.162 -8.106 -0.123 1.00 0.00 C ATOM 1217 CD2 PHE A 73 -1.090 -5.937 0.867 1.00 0.00 C ATOM 1218 CE1 PHE A 73 -0.390 -7.657 -1.174 1.00 0.00 C ATOM 1219 CE2 PHE A 73 -0.317 -5.483 -0.182 1.00 0.00 C ATOM 1220 CZ PHE A 73 0.034 -6.344 -1.203 1.00 0.00 C ATOM 0 H PHE A 73 -3.296 -8.534 4.301 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.079 -9.372 2.561 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.184 -8.344 1.644 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -2.821 -6.885 2.543 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.490 -9.135 -0.103 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -1.361 -5.260 1.664 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.118 -8.331 -1.972 1.00 0.00 H new ATOM 0 HE2 PHE A 73 0.013 -4.455 -0.205 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.640 -5.990 -2.024 1.00 0.00 H new ATOM 1230 N ALA A 74 0.534 -8.346 4.181 1.00 0.00 N ATOM 1231 CA ALA A 74 1.601 -7.657 4.884 1.00 0.00 C ATOM 1232 C ALA A 74 2.850 -7.582 4.022 1.00 0.00 C ATOM 1233 O ALA A 74 3.558 -8.574 3.847 1.00 0.00 O ATOM 1234 CB ALA A 74 1.906 -8.353 6.201 1.00 0.00 C ATOM 0 H ALA A 74 0.710 -9.337 4.015 1.00 0.00 H new ATOM 0 HA ALA A 74 1.270 -6.641 5.097 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.708 -7.824 6.715 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.013 -8.355 6.827 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.215 -9.380 6.007 1.00 0.00 H new ATOM 1240 N VAL A 75 3.111 -6.411 3.467 1.00 0.00 N ATOM 1241 CA VAL A 75 4.290 -6.212 2.632 1.00 0.00 C ATOM 1242 C VAL A 75 5.431 -5.578 3.422 1.00 0.00 C ATOM 1243 O VAL A 75 6.533 -5.411 2.905 1.00 0.00 O ATOM 1244 CB VAL A 75 3.978 -5.345 1.396 1.00 0.00 C ATOM 1245 CG1 VAL A 75 3.089 -6.102 0.427 1.00 0.00 C ATOM 1246 CG2 VAL A 75 3.323 -4.034 1.806 1.00 0.00 C ATOM 0 H VAL A 75 2.526 -5.583 3.577 1.00 0.00 H new ATOM 0 HA VAL A 75 4.599 -7.201 2.293 1.00 0.00 H new ATOM 0 HB VAL A 75 4.919 -5.114 0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.879 -5.475 -0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.595 -7.011 0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.153 -6.364 0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.112 -3.439 0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.392 -4.242 2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.995 -3.481 2.462 1.00 0.00 H new ATOM 1256 N ALA A 76 5.162 -5.244 4.679 1.00 0.00 N ATOM 1257 CA ALA A 76 6.170 -4.634 5.542 1.00 0.00 C ATOM 1258 C ALA A 76 7.404 -5.536 5.705 1.00 0.00 C ATOM 1259 O ALA A 76 8.526 -5.066 5.524 1.00 0.00 O ATOM 1260 CB ALA A 76 5.575 -4.267 6.895 1.00 0.00 C ATOM 0 H ALA A 76 4.255 -5.385 5.124 1.00 0.00 H new ATOM 0 HA ALA A 76 6.504 -3.717 5.057 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.345 -3.814 7.520 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.759 -3.558 6.753 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.195 -5.165 7.381 1.00 0.00 H new ATOM 1266 N PRO A 77 7.236 -6.843 6.032 1.00 0.00 N ATOM 1267 CA PRO A 77 8.375 -7.765 6.140 1.00 0.00 C ATOM 1268 C PRO A 77 9.116 -7.911 4.814 1.00 0.00 C ATOM 1269 O PRO A 77 10.332 -8.094 4.783 1.00 0.00 O ATOM 1270 CB PRO A 77 7.740 -9.101 6.540 1.00 0.00 C ATOM 1271 CG PRO A 77 6.402 -8.749 7.089 1.00 0.00 C ATOM 1272 CD PRO A 77 5.961 -7.526 6.340 1.00 0.00 C ATOM 0 HA PRO A 77 9.115 -7.408 6.856 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.651 -9.767 5.682 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.347 -9.618 7.283 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.695 -9.568 6.952 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.458 -8.553 8.160 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.413 -7.784 5.434 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.303 -6.899 6.943 1.00 0.00 H new ATOM 1280 N TYR A 78 8.371 -7.807 3.719 1.00 0.00 N ATOM 1281 CA TYR A 78 8.951 -7.933 2.393 1.00 0.00 C ATOM 1282 C TYR A 78 9.836 -6.732 2.080 1.00 0.00 C ATOM 1283 O TYR A 78 10.956 -6.883 1.593 1.00 0.00 O ATOM 1284 CB TYR A 78 7.855 -8.065 1.329 1.00 0.00 C ATOM 1285 CG TYR A 78 8.401 -8.274 -0.067 1.00 0.00 C ATOM 1286 CD1 TYR A 78 8.675 -9.551 -0.538 1.00 0.00 C ATOM 1287 CD2 TYR A 78 8.656 -7.197 -0.909 1.00 0.00 C ATOM 1288 CE1 TYR A 78 9.185 -9.750 -1.805 1.00 0.00 C ATOM 1289 CE2 TYR A 78 9.171 -7.389 -2.176 1.00 0.00 C ATOM 1290 CZ TYR A 78 9.433 -8.668 -2.617 1.00 0.00 C ATOM 1291 OH TYR A 78 9.948 -8.866 -3.876 1.00 0.00 O ATOM 0 H TYR A 78 7.365 -7.636 3.726 1.00 0.00 H new ATOM 0 HA TYR A 78 9.562 -8.836 2.378 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.206 -8.902 1.587 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.237 -7.167 1.340 1.00 0.00 H new ATOM 0 HD1 TYR A 78 8.486 -10.403 0.098 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.448 -6.194 -0.567 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.388 -10.751 -2.157 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.367 -6.542 -2.817 1.00 0.00 H new ATOM 0 HH TYR A 78 10.064 -8.001 -4.322 1.00 0.00 H new ATOM 1301 N TYR A 79 9.335 -5.540 2.372 1.00 0.00 N ATOM 1302 CA TYR A 79 10.068 -4.316 2.081 1.00 0.00 C ATOM 1303 C TYR A 79 11.211 -4.100 3.059 1.00 0.00 C ATOM 1304 O TYR A 79 12.086 -3.272 2.823 1.00 0.00 O ATOM 1305 CB TYR A 79 9.132 -3.107 2.065 1.00 0.00 C ATOM 1306 CG TYR A 79 8.421 -2.945 0.743 1.00 0.00 C ATOM 1307 CD1 TYR A 79 8.989 -2.195 -0.276 1.00 0.00 C ATOM 1308 CD2 TYR A 79 7.196 -3.556 0.507 1.00 0.00 C ATOM 1309 CE1 TYR A 79 8.359 -2.058 -1.495 1.00 0.00 C ATOM 1310 CE2 TYR A 79 6.558 -3.422 -0.709 1.00 0.00 C ATOM 1311 CZ TYR A 79 7.145 -2.671 -1.706 1.00 0.00 C ATOM 1312 OH TYR A 79 6.517 -2.536 -2.920 1.00 0.00 O ATOM 0 H TYR A 79 8.425 -5.394 2.810 1.00 0.00 H new ATOM 0 HA TYR A 79 10.502 -4.426 1.087 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.394 -3.212 2.860 1.00 0.00 H new ATOM 0 HB3 TYR A 79 9.705 -2.205 2.279 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.940 -1.710 -0.112 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.736 -4.145 1.287 1.00 0.00 H new ATOM 0 HE1 TYR A 79 8.816 -1.473 -2.280 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.606 -3.902 -0.879 1.00 0.00 H new ATOM 0 HH TYR A 79 7.144 -2.161 -3.573 1.00 0.00 H new ATOM 1322 N GLU A 80 11.213 -4.859 4.147 1.00 0.00 N ATOM 1323 CA GLU A 80 12.335 -4.842 5.072 1.00 0.00 C ATOM 1324 C GLU A 80 13.519 -5.583 4.450 1.00 0.00 C ATOM 1325 O GLU A 80 14.644 -5.526 4.945 1.00 0.00 O ATOM 1326 CB GLU A 80 11.937 -5.485 6.404 1.00 0.00 C ATOM 1327 CG GLU A 80 12.909 -5.193 7.535 1.00 0.00 C ATOM 1328 CD GLU A 80 12.508 -5.852 8.837 1.00 0.00 C ATOM 1329 OE1 GLU A 80 11.463 -5.470 9.408 1.00 0.00 O ATOM 1330 OE2 GLU A 80 13.248 -6.735 9.316 1.00 0.00 O ATOM 0 H GLU A 80 10.455 -5.490 4.408 1.00 0.00 H new ATOM 0 HA GLU A 80 12.625 -3.809 5.267 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.946 -5.130 6.687 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.863 -6.564 6.269 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.904 -5.536 7.251 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.974 -4.115 7.683 1.00 0.00 H new ATOM 1337 N MET A 81 13.242 -6.286 3.355 1.00 0.00 N ATOM 1338 CA MET A 81 14.270 -7.004 2.613 1.00 0.00 C ATOM 1339 C MET A 81 14.495 -6.346 1.255 1.00 0.00 C ATOM 1340 O MET A 81 15.632 -6.187 0.808 1.00 0.00 O ATOM 1341 CB MET A 81 13.860 -8.462 2.404 1.00 0.00 C ATOM 1342 CG MET A 81 13.457 -9.179 3.680 1.00 0.00 C ATOM 1343 SD MET A 81 12.967 -10.892 3.387 1.00 0.00 S ATOM 1344 CE MET A 81 11.645 -10.666 2.199 1.00 0.00 C ATOM 0 H MET A 81 12.305 -6.373 2.961 1.00 0.00 H new ATOM 0 HA MET A 81 15.193 -6.971 3.191 1.00 0.00 H new ATOM 0 HB2 MET A 81 13.028 -8.497 1.701 1.00 0.00 H new ATOM 0 HB3 MET A 81 14.689 -8.999 1.944 1.00 0.00 H new ATOM 0 HG2 MET A 81 14.290 -9.158 4.383 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.631 -8.643 4.148 1.00 0.00 H new ATOM 0 HE1 MET A 81 10.740 -11.152 2.564 1.00 0.00 H new ATOM 0 HE2 MET A 81 11.456 -9.601 2.064 1.00 0.00 H new ATOM 0 HE3 MET A 81 11.934 -11.107 1.245 1.00 0.00 H new ATOM 1354 N ALA A 82 13.393 -5.978 0.600 1.00 0.00 N ATOM 1355 CA ALA A 82 13.447 -5.331 -0.706 1.00 0.00 C ATOM 1356 C ALA A 82 14.165 -3.989 -0.624 1.00 0.00 C ATOM 1357 O ALA A 82 14.867 -3.589 -1.554 1.00 0.00 O ATOM 1358 CB ALA A 82 12.044 -5.144 -1.260 1.00 0.00 C ATOM 0 H ALA A 82 12.448 -6.119 0.958 1.00 0.00 H new ATOM 0 HA ALA A 82 14.011 -5.976 -1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.099 -4.660 -2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.561 -6.116 -1.364 1.00 0.00 H new ATOM 0 HB3 ALA A 82 11.464 -4.522 -0.579 1.00 0.00 H new ATOM 1364 N LEU A 83 13.975 -3.300 0.491 1.00 0.00 N ATOM 1365 CA LEU A 83 14.663 -2.047 0.747 1.00 0.00 C ATOM 1366 C LEU A 83 15.762 -2.287 1.771 1.00 0.00 C ATOM 1367 O LEU A 83 15.706 -3.258 2.527 1.00 0.00 O ATOM 1368 CB LEU A 83 13.671 -0.990 1.255 1.00 0.00 C ATOM 1369 CG LEU A 83 14.257 0.402 1.516 1.00 0.00 C ATOM 1370 CD1 LEU A 83 14.766 1.026 0.224 1.00 0.00 C ATOM 1371 CD2 LEU A 83 13.218 1.298 2.173 1.00 0.00 C ATOM 0 H LEU A 83 13.344 -3.592 1.238 1.00 0.00 H new ATOM 0 HA LEU A 83 15.106 -1.676 -0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 83 12.866 -0.894 0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.222 -1.354 2.179 1.00 0.00 H new ATOM 0 HG LEU A 83 15.103 0.297 2.195 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.177 2.013 0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 83 15.543 0.393 -0.204 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.943 1.119 -0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 83 13.648 2.283 2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.353 1.394 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 83 12.907 0.860 3.121 1.00 0.00 H new ATOM 1383 N ALA A 84 16.761 -1.418 1.787 1.00 0.00 N ATOM 1384 CA ALA A 84 17.873 -1.558 2.712 1.00 0.00 C ATOM 1385 C ALA A 84 17.413 -1.344 4.150 1.00 0.00 C ATOM 1386 O ALA A 84 16.512 -0.544 4.413 1.00 0.00 O ATOM 1387 CB ALA A 84 18.983 -0.578 2.359 1.00 0.00 C ATOM 0 H ALA A 84 16.824 -0.609 1.170 1.00 0.00 H new ATOM 0 HA ALA A 84 18.262 -2.573 2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 84 19.809 -0.695 3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 84 19.336 -0.777 1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 84 18.600 0.441 2.416 1.00 0.00 H new ATOM 1393 N THR A 85 18.036 -2.060 5.074 1.00 0.00 N ATOM 1394 CA THR A 85 17.722 -1.936 6.485 1.00 0.00 C ATOM 1395 C THR A 85 18.361 -0.681 7.073 1.00 0.00 C ATOM 1396 O THR A 85 18.115 -0.313 8.223 1.00 0.00 O ATOM 1397 CB THR A 85 18.191 -3.182 7.253 1.00 0.00 C ATOM 1398 OG1 THR A 85 19.477 -3.599 6.769 1.00 0.00 O ATOM 1399 CG2 THR A 85 17.189 -4.319 7.106 1.00 0.00 C ATOM 0 H THR A 85 18.769 -2.739 4.866 1.00 0.00 H new ATOM 0 HA THR A 85 16.640 -1.851 6.586 1.00 0.00 H new ATOM 0 HB THR A 85 18.268 -2.926 8.310 1.00 0.00 H new ATOM 0 HG1 THR A 85 19.771 -4.392 7.263 1.00 0.00 H new ATOM 0 HG21 THR A 85 17.543 -5.190 7.658 1.00 0.00 H new ATOM 0 HG22 THR A 85 16.223 -4.006 7.502 1.00 0.00 H new ATOM 0 HG23 THR A 85 17.083 -4.576 6.052 1.00 0.00 H new ATOM 1407 N ASP A 86 19.183 -0.028 6.266 1.00 0.00 N ATOM 1408 CA ASP A 86 19.787 1.240 6.639 1.00 0.00 C ATOM 1409 C ASP A 86 18.780 2.360 6.393 1.00 0.00 C ATOM 1410 O ASP A 86 17.743 2.125 5.770 1.00 0.00 O ATOM 1411 CB ASP A 86 21.054 1.472 5.808 1.00 0.00 C ATOM 1412 CG ASP A 86 21.991 2.490 6.424 1.00 0.00 C ATOM 1413 OD1 ASP A 86 21.795 3.706 6.211 1.00 0.00 O ATOM 1414 OD2 ASP A 86 22.941 2.076 7.119 1.00 0.00 O ATOM 0 H ASP A 86 19.449 -0.361 5.339 1.00 0.00 H new ATOM 0 HA ASP A 86 20.061 1.226 7.694 1.00 0.00 H new ATOM 0 HB2 ASP A 86 21.582 0.526 5.690 1.00 0.00 H new ATOM 0 HB3 ASP A 86 20.770 1.805 4.810 1.00 0.00 H new ATOM 1419 N HIS A 87 19.077 3.562 6.887 1.00 0.00 N ATOM 1420 CA HIS A 87 18.221 4.729 6.673 1.00 0.00 C ATOM 1421 C HIS A 87 16.904 4.571 7.442 1.00 0.00 C ATOM 1422 O HIS A 87 15.910 4.076 6.906 1.00 0.00 O ATOM 1423 CB HIS A 87 17.976 4.936 5.168 1.00 0.00 C ATOM 1424 CG HIS A 87 17.334 6.237 4.801 1.00 0.00 C ATOM 1425 ND1 HIS A 87 17.884 7.462 5.105 1.00 0.00 N ATOM 1426 CD2 HIS A 87 16.198 6.501 4.113 1.00 0.00 C ATOM 1427 CE1 HIS A 87 17.120 8.417 4.621 1.00 0.00 C ATOM 1428 NE2 HIS A 87 16.088 7.865 4.010 1.00 0.00 N ATOM 0 H HIS A 87 19.911 3.754 7.442 1.00 0.00 H new ATOM 0 HA HIS A 87 18.723 5.617 7.056 1.00 0.00 H new ATOM 0 HB2 HIS A 87 18.930 4.860 4.647 1.00 0.00 H new ATOM 0 HB3 HIS A 87 17.348 4.123 4.803 1.00 0.00 H new ATOM 0 HD2 HIS A 87 15.506 5.772 3.718 1.00 0.00 H new ATOM 0 HE1 HIS A 87 17.306 9.477 4.709 1.00 0.00 H new ATOM 0 HE2 HIS A 87 15.335 8.368 3.540 1.00 0.00 H new ATOM 1437 N PRO A 88 16.896 4.998 8.721 1.00 0.00 N ATOM 1438 CA PRO A 88 15.765 4.796 9.651 1.00 0.00 C ATOM 1439 C PRO A 88 14.436 5.365 9.153 1.00 0.00 C ATOM 1440 O PRO A 88 13.373 5.015 9.669 1.00 0.00 O ATOM 1441 CB PRO A 88 16.207 5.537 10.918 1.00 0.00 C ATOM 1442 CG PRO A 88 17.691 5.580 10.832 1.00 0.00 C ATOM 1443 CD PRO A 88 18.008 5.714 9.373 1.00 0.00 C ATOM 0 HA PRO A 88 15.567 3.733 9.788 1.00 0.00 H new ATOM 0 HB2 PRO A 88 15.783 6.541 10.958 1.00 0.00 H new ATOM 0 HB3 PRO A 88 15.877 5.016 11.817 1.00 0.00 H new ATOM 0 HG2 PRO A 88 18.092 6.420 11.399 1.00 0.00 H new ATOM 0 HG3 PRO A 88 18.134 4.675 11.248 1.00 0.00 H new ATOM 0 HD2 PRO A 88 18.051 6.758 9.064 1.00 0.00 H new ATOM 0 HD3 PRO A 88 18.972 5.269 9.128 1.00 0.00 H new ATOM 1451 N GLN A 89 14.492 6.235 8.149 1.00 0.00 N ATOM 1452 CA GLN A 89 13.285 6.828 7.575 1.00 0.00 C ATOM 1453 C GLN A 89 12.375 5.755 6.979 1.00 0.00 C ATOM 1454 O GLN A 89 11.184 5.983 6.768 1.00 0.00 O ATOM 1455 CB GLN A 89 13.652 7.850 6.499 1.00 0.00 C ATOM 1456 CG GLN A 89 14.595 8.937 6.987 1.00 0.00 C ATOM 1457 CD GLN A 89 14.025 9.758 8.126 1.00 0.00 C ATOM 1458 OE1 GLN A 89 12.814 9.945 8.236 1.00 0.00 O ATOM 1459 NE2 GLN A 89 14.900 10.241 8.992 1.00 0.00 N ATOM 0 H GLN A 89 15.361 6.546 7.715 1.00 0.00 H new ATOM 0 HA GLN A 89 12.747 7.331 8.378 1.00 0.00 H new ATOM 0 HB2 GLN A 89 14.114 7.331 5.659 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.740 8.314 6.124 1.00 0.00 H new ATOM 0 HG2 GLN A 89 15.530 8.479 7.311 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.836 9.600 6.156 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.896 10.063 8.864 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.579 10.792 9.788 1.00 0.00 H new ATOM 1468 N ARG A 90 12.943 4.577 6.721 1.00 0.00 N ATOM 1469 CA ARG A 90 12.180 3.449 6.191 1.00 0.00 C ATOM 1470 C ARG A 90 11.075 3.028 7.161 1.00 0.00 C ATOM 1471 O ARG A 90 10.084 2.418 6.759 1.00 0.00 O ATOM 1472 CB ARG A 90 13.107 2.258 5.919 1.00 0.00 C ATOM 1473 CG ARG A 90 13.811 1.744 7.165 1.00 0.00 C ATOM 1474 CD ARG A 90 14.605 0.477 6.892 1.00 0.00 C ATOM 1475 NE ARG A 90 15.282 0.003 8.099 1.00 0.00 N ATOM 1476 CZ ARG A 90 14.746 -0.856 8.968 1.00 0.00 C ATOM 1477 NH1 ARG A 90 13.557 -1.394 8.727 1.00 0.00 N ATOM 1478 NH2 ARG A 90 15.411 -1.192 10.067 1.00 0.00 N ATOM 0 H ARG A 90 13.932 4.380 6.871 1.00 0.00 H new ATOM 0 HA ARG A 90 11.719 3.768 5.256 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.526 1.448 5.479 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.855 2.550 5.182 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.480 2.515 7.547 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.073 1.548 7.943 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.938 -0.299 6.518 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.341 0.668 6.111 1.00 0.00 H new ATOM 0 HE ARG A 90 16.222 0.351 8.288 1.00 0.00 H new ATOM 0 HH11 ARG A 90 13.050 -1.151 7.876 1.00 0.00 H new ATOM 0 HH12 ARG A 90 13.150 -2.050 9.393 1.00 0.00 H new ATOM 0 HH21 ARG A 90 16.332 -0.793 10.248 1.00 0.00 H new ATOM 0 HH22 ARG A 90 15.000 -1.849 10.731 1.00 0.00 H new ATOM 1492 N ALA A 91 11.247 3.365 8.438 1.00 0.00 N ATOM 1493 CA ALA A 91 10.279 3.003 9.466 1.00 0.00 C ATOM 1494 C ALA A 91 8.920 3.643 9.197 1.00 0.00 C ATOM 1495 O ALA A 91 7.883 3.049 9.480 1.00 0.00 O ATOM 1496 CB ALA A 91 10.792 3.402 10.840 1.00 0.00 C ATOM 0 H ALA A 91 12.051 3.890 8.784 1.00 0.00 H new ATOM 0 HA ALA A 91 10.150 1.921 9.440 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.058 3.125 11.597 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.732 2.888 11.041 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.954 4.479 10.869 1.00 0.00 H new ATOM 1502 N LEU A 92 8.936 4.846 8.629 1.00 0.00 N ATOM 1503 CA LEU A 92 7.701 5.549 8.298 1.00 0.00 C ATOM 1504 C LEU A 92 6.927 4.781 7.234 1.00 0.00 C ATOM 1505 O LEU A 92 5.709 4.639 7.318 1.00 0.00 O ATOM 1506 CB LEU A 92 7.985 6.976 7.802 1.00 0.00 C ATOM 1507 CG LEU A 92 8.390 7.996 8.876 1.00 0.00 C ATOM 1508 CD1 LEU A 92 9.780 7.703 9.422 1.00 0.00 C ATOM 1509 CD2 LEU A 92 8.330 9.407 8.308 1.00 0.00 C ATOM 0 H LEU A 92 9.788 5.353 8.389 1.00 0.00 H new ATOM 0 HA LEU A 92 7.103 5.615 9.207 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.779 6.929 7.057 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.094 7.347 7.295 1.00 0.00 H new ATOM 0 HG LEU A 92 7.684 7.915 9.702 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.037 8.443 10.180 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.794 6.708 9.867 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.507 7.748 8.611 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.619 10.122 9.078 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.013 9.488 7.463 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.315 9.623 7.976 1.00 0.00 H new ATOM 1521 N ILE A 93 7.651 4.275 6.245 1.00 0.00 N ATOM 1522 CA ILE A 93 7.045 3.514 5.163 1.00 0.00 C ATOM 1523 C ILE A 93 6.485 2.196 5.689 1.00 0.00 C ATOM 1524 O ILE A 93 5.359 1.814 5.373 1.00 0.00 O ATOM 1525 CB ILE A 93 8.069 3.220 4.044 1.00 0.00 C ATOM 1526 CG1 ILE A 93 8.729 4.520 3.574 1.00 0.00 C ATOM 1527 CG2 ILE A 93 7.393 2.512 2.876 1.00 0.00 C ATOM 1528 CD1 ILE A 93 9.827 4.313 2.551 1.00 0.00 C ATOM 0 H ILE A 93 8.663 4.379 6.170 1.00 0.00 H new ATOM 0 HA ILE A 93 6.237 4.117 4.750 1.00 0.00 H new ATOM 0 HB ILE A 93 8.842 2.563 4.443 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.966 5.170 3.147 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.143 5.039 4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.128 2.312 2.097 1.00 0.00 H new ATOM 0 HG22 ILE A 93 6.964 1.571 3.220 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.602 3.146 2.475 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.246 5.278 2.267 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.611 3.689 2.980 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.415 3.823 1.669 1.00 0.00 H new ATOM 1540 N LEU A 94 7.278 1.518 6.510 1.00 0.00 N ATOM 1541 CA LEU A 94 6.874 0.239 7.080 1.00 0.00 C ATOM 1542 C LEU A 94 5.644 0.399 7.963 1.00 0.00 C ATOM 1543 O LEU A 94 4.720 -0.407 7.892 1.00 0.00 O ATOM 1544 CB LEU A 94 8.018 -0.383 7.883 1.00 0.00 C ATOM 1545 CG LEU A 94 9.266 -0.736 7.071 1.00 0.00 C ATOM 1546 CD1 LEU A 94 10.318 -1.368 7.966 1.00 0.00 C ATOM 1547 CD2 LEU A 94 8.911 -1.671 5.926 1.00 0.00 C ATOM 0 H LEU A 94 8.205 1.833 6.796 1.00 0.00 H new ATOM 0 HA LEU A 94 6.623 -0.427 6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.303 0.309 8.675 1.00 0.00 H new ATOM 0 HB3 LEU A 94 7.651 -1.288 8.367 1.00 0.00 H new ATOM 0 HG LEU A 94 9.675 0.182 6.650 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.200 -1.613 7.374 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.594 -0.667 8.754 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.917 -2.277 8.413 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.811 -1.911 5.360 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.479 -2.588 6.326 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.189 -1.185 5.270 1.00 0.00 H new ATOM 1559 N ALA A 95 5.631 1.450 8.779 1.00 0.00 N ATOM 1560 CA ALA A 95 4.504 1.719 9.664 1.00 0.00 C ATOM 1561 C ALA A 95 3.223 1.926 8.864 1.00 0.00 C ATOM 1562 O ALA A 95 2.147 1.480 9.267 1.00 0.00 O ATOM 1563 CB ALA A 95 4.789 2.937 10.529 1.00 0.00 C ATOM 0 H ALA A 95 6.389 2.129 8.845 1.00 0.00 H new ATOM 0 HA ALA A 95 4.366 0.853 10.312 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.938 3.125 11.184 1.00 0.00 H new ATOM 0 HB2 ALA A 95 5.678 2.755 11.132 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.955 3.805 9.891 1.00 0.00 H new ATOM 1569 N GLU A 96 3.349 2.593 7.723 1.00 0.00 N ATOM 1570 CA GLU A 96 2.216 2.825 6.838 1.00 0.00 C ATOM 1571 C GLU A 96 1.717 1.494 6.276 1.00 0.00 C ATOM 1572 O GLU A 96 0.512 1.241 6.202 1.00 0.00 O ATOM 1573 CB GLU A 96 2.631 3.761 5.700 1.00 0.00 C ATOM 1574 CG GLU A 96 1.462 4.415 4.982 1.00 0.00 C ATOM 1575 CD GLU A 96 0.676 5.336 5.892 1.00 0.00 C ATOM 1576 OE1 GLU A 96 1.066 6.515 6.032 1.00 0.00 O ATOM 1577 OE2 GLU A 96 -0.327 4.884 6.482 1.00 0.00 O ATOM 0 H GLU A 96 4.230 2.984 7.388 1.00 0.00 H new ATOM 0 HA GLU A 96 1.408 3.293 7.401 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.279 4.540 6.102 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.220 3.198 4.976 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.833 4.981 4.127 1.00 0.00 H new ATOM 0 HG3 GLU A 96 0.800 3.643 4.590 1.00 0.00 H new ATOM 1584 N LEU A 97 2.662 0.635 5.906 1.00 0.00 N ATOM 1585 CA LEU A 97 2.343 -0.682 5.369 1.00 0.00 C ATOM 1586 C LEU A 97 1.689 -1.562 6.430 1.00 0.00 C ATOM 1587 O LEU A 97 0.805 -2.362 6.125 1.00 0.00 O ATOM 1588 CB LEU A 97 3.610 -1.363 4.839 1.00 0.00 C ATOM 1589 CG LEU A 97 4.350 -0.603 3.736 1.00 0.00 C ATOM 1590 CD1 LEU A 97 5.609 -1.348 3.326 1.00 0.00 C ATOM 1591 CD2 LEU A 97 3.443 -0.385 2.530 1.00 0.00 C ATOM 0 H LEU A 97 3.661 0.830 5.969 1.00 0.00 H new ATOM 0 HA LEU A 97 1.638 -0.548 4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.295 -1.518 5.673 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.341 -2.349 4.460 1.00 0.00 H new ATOM 0 HG LEU A 97 4.639 0.372 4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.121 -0.792 2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.268 -1.450 4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.342 -2.337 2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.989 0.157 1.758 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.121 -1.350 2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.570 0.194 2.831 1.00 0.00 H new ATOM 1603 N GLU A 98 2.128 -1.411 7.675 1.00 0.00 N ATOM 1604 CA GLU A 98 1.552 -2.161 8.785 1.00 0.00 C ATOM 1605 C GLU A 98 0.099 -1.758 9.020 1.00 0.00 C ATOM 1606 O GLU A 98 -0.742 -2.597 9.355 1.00 0.00 O ATOM 1607 CB GLU A 98 2.368 -1.953 10.061 1.00 0.00 C ATOM 1608 CG GLU A 98 3.781 -2.508 9.981 1.00 0.00 C ATOM 1609 CD GLU A 98 4.508 -2.427 11.304 1.00 0.00 C ATOM 1610 OE1 GLU A 98 5.092 -1.368 11.605 1.00 0.00 O ATOM 1611 OE2 GLU A 98 4.484 -3.422 12.063 1.00 0.00 O ATOM 0 H GLU A 98 2.881 -0.776 7.941 1.00 0.00 H new ATOM 0 HA GLU A 98 1.579 -3.218 8.522 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.418 -0.886 10.280 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.848 -2.425 10.895 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.742 -3.547 9.654 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.343 -1.957 9.227 1.00 0.00 H new ATOM 1618 N LYS A 99 -0.194 -0.475 8.840 1.00 0.00 N ATOM 1619 CA LYS A 99 -1.564 0.015 8.930 1.00 0.00 C ATOM 1620 C LYS A 99 -2.416 -0.629 7.851 1.00 0.00 C ATOM 1621 O LYS A 99 -3.525 -1.093 8.115 1.00 0.00 O ATOM 1622 CB LYS A 99 -1.597 1.533 8.784 1.00 0.00 C ATOM 1623 CG LYS A 99 -0.948 2.257 9.943 1.00 0.00 C ATOM 1624 CD LYS A 99 -0.795 3.740 9.660 1.00 0.00 C ATOM 1625 CE LYS A 99 -0.044 4.445 10.775 1.00 0.00 C ATOM 1626 NZ LYS A 99 -0.759 4.356 12.077 1.00 0.00 N ATOM 0 H LYS A 99 0.499 0.244 8.631 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.966 -0.250 9.908 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -1.092 1.814 7.860 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.633 1.860 8.693 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -1.548 2.118 10.842 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.031 1.821 10.143 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.264 3.879 8.718 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -1.780 4.192 9.541 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.949 4.006 10.877 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.097 5.493 10.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.294 4.975 12.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.747 4.657 11.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -0.737 3.374 12.419 1.00 0.00 H new ATOM 1640 N LEU A 100 -1.871 -0.667 6.642 1.00 0.00 N ATOM 1641 CA LEU A 100 -2.540 -1.282 5.508 1.00 0.00 C ATOM 1642 C LEU A 100 -2.838 -2.753 5.805 1.00 0.00 C ATOM 1643 O LEU A 100 -3.938 -3.242 5.538 1.00 0.00 O ATOM 1644 CB LEU A 100 -1.663 -1.153 4.260 1.00 0.00 C ATOM 1645 CG LEU A 100 -2.362 -1.440 2.932 1.00 0.00 C ATOM 1646 CD1 LEU A 100 -3.467 -0.423 2.678 1.00 0.00 C ATOM 1647 CD2 LEU A 100 -1.357 -1.437 1.790 1.00 0.00 C ATOM 0 H LEU A 100 -0.956 -0.273 6.422 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.485 -0.770 5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.257 -0.142 4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.817 -1.833 4.360 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.815 -2.430 2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.953 -0.644 1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.201 -0.475 3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.038 0.579 2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.872 -1.643 0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.875 -0.461 1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.603 -2.205 1.966 1.00 0.00 H new ATOM 1659 N ASP A 101 -1.854 -3.439 6.382 1.00 0.00 N ATOM 1660 CA ASP A 101 -1.999 -4.839 6.788 1.00 0.00 C ATOM 1661 C ASP A 101 -3.188 -5.030 7.726 1.00 0.00 C ATOM 1662 O ASP A 101 -4.004 -5.938 7.538 1.00 0.00 O ATOM 1663 CB ASP A 101 -0.716 -5.319 7.474 1.00 0.00 C ATOM 1664 CG ASP A 101 -0.929 -6.560 8.328 1.00 0.00 C ATOM 1665 OD1 ASP A 101 -0.944 -7.679 7.775 1.00 0.00 O ATOM 1666 OD2 ASP A 101 -1.079 -6.417 9.563 1.00 0.00 O ATOM 0 H ASP A 101 -0.935 -3.043 6.582 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.179 -5.430 5.890 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.038 -5.531 6.716 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.323 -4.517 8.099 1.00 0.00 H new ATOM 1671 N ALA A 102 -3.288 -4.161 8.726 1.00 0.00 N ATOM 1672 CA ALA A 102 -4.359 -4.239 9.712 1.00 0.00 C ATOM 1673 C ALA A 102 -5.722 -4.046 9.059 1.00 0.00 C ATOM 1674 O ALA A 102 -6.712 -4.653 9.469 1.00 0.00 O ATOM 1675 CB ALA A 102 -4.146 -3.201 10.803 1.00 0.00 C ATOM 0 H ALA A 102 -2.636 -3.391 8.875 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.336 -5.233 10.159 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.953 -3.270 11.533 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -3.192 -3.384 11.298 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.140 -2.205 10.361 1.00 0.00 H new ATOM 1681 N LEU A 103 -5.760 -3.208 8.032 1.00 0.00 N ATOM 1682 CA LEU A 103 -7.000 -2.903 7.337 1.00 0.00 C ATOM 1683 C LEU A 103 -7.485 -4.110 6.539 1.00 0.00 C ATOM 1684 O LEU A 103 -8.681 -4.401 6.504 1.00 0.00 O ATOM 1685 CB LEU A 103 -6.799 -1.701 6.414 1.00 0.00 C ATOM 1686 CG LEU A 103 -6.223 -0.457 7.093 1.00 0.00 C ATOM 1687 CD1 LEU A 103 -5.989 0.644 6.078 1.00 0.00 C ATOM 1688 CD2 LEU A 103 -7.144 0.029 8.201 1.00 0.00 C ATOM 0 H LEU A 103 -4.941 -2.726 7.661 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.761 -2.658 8.078 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -6.135 -1.993 5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.758 -1.441 5.966 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.265 -0.726 7.538 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.579 1.520 6.580 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.286 0.297 5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.934 0.907 5.602 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.714 0.914 8.669 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.119 0.278 7.781 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.261 -0.756 8.948 1.00 0.00 H new ATOM 1700 N PHE A 104 -6.551 -4.825 5.919 1.00 0.00 N ATOM 1701 CA PHE A 104 -6.891 -6.010 5.140 1.00 0.00 C ATOM 1702 C PHE A 104 -7.336 -7.155 6.041 1.00 0.00 C ATOM 1703 O PHE A 104 -7.979 -8.097 5.586 1.00 0.00 O ATOM 1704 CB PHE A 104 -5.708 -6.461 4.277 1.00 0.00 C ATOM 1705 CG PHE A 104 -5.469 -5.591 3.077 1.00 0.00 C ATOM 1706 CD1 PHE A 104 -6.388 -5.552 2.043 1.00 0.00 C ATOM 1707 CD2 PHE A 104 -4.323 -4.822 2.979 1.00 0.00 C ATOM 1708 CE1 PHE A 104 -6.170 -4.761 0.933 1.00 0.00 C ATOM 1709 CE2 PHE A 104 -4.100 -4.029 1.872 1.00 0.00 C ATOM 1710 CZ PHE A 104 -5.024 -3.998 0.848 1.00 0.00 C ATOM 0 H PHE A 104 -5.555 -4.605 5.941 1.00 0.00 H new ATOM 0 HA PHE A 104 -7.720 -5.739 4.486 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.807 -6.474 4.890 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -5.882 -7.484 3.944 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -7.287 -6.148 2.105 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.596 -4.843 3.777 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -6.895 -4.740 0.133 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.202 -3.433 1.807 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.850 -3.377 -0.019 1.00 0.00 H new ATOM 1720 N ALA A 105 -6.995 -7.063 7.319 1.00 0.00 N ATOM 1721 CA ALA A 105 -7.343 -8.104 8.274 1.00 0.00 C ATOM 1722 C ALA A 105 -8.678 -7.819 8.951 1.00 0.00 C ATOM 1723 O ALA A 105 -9.195 -8.649 9.704 1.00 0.00 O ATOM 1724 CB ALA A 105 -6.244 -8.244 9.314 1.00 0.00 C ATOM 0 H ALA A 105 -6.478 -6.279 7.717 1.00 0.00 H new ATOM 0 HA ALA A 105 -7.443 -9.042 7.727 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.513 -9.025 10.025 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -5.308 -8.508 8.821 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -6.121 -7.299 9.843 1.00 0.00 H new ATOM 1730 N ASP A 106 -9.236 -6.644 8.691 1.00 0.00 N ATOM 1731 CA ASP A 106 -10.494 -6.254 9.316 1.00 0.00 C ATOM 1732 C ASP A 106 -11.687 -6.720 8.492 1.00 0.00 C ATOM 1733 O ASP A 106 -12.681 -7.198 9.041 1.00 0.00 O ATOM 1734 CB ASP A 106 -10.565 -4.738 9.514 1.00 0.00 C ATOM 1735 CG ASP A 106 -11.861 -4.306 10.180 1.00 0.00 C ATOM 1736 OD1 ASP A 106 -11.933 -4.337 11.430 1.00 0.00 O ATOM 1737 OD2 ASP A 106 -12.811 -3.932 9.466 1.00 0.00 O ATOM 0 H ASP A 106 -8.842 -5.949 8.057 1.00 0.00 H new ATOM 0 HA ASP A 106 -10.533 -6.738 10.292 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -9.720 -4.413 10.121 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -10.472 -4.242 8.548 1.00 0.00 H new ATOM 1742 N ASP A 107 -11.589 -6.591 7.177 1.00 0.00 N ATOM 1743 CA ASP A 107 -12.698 -6.954 6.304 1.00 0.00 C ATOM 1744 C ASP A 107 -12.619 -8.419 5.920 1.00 0.00 C ATOM 1745 O ASP A 107 -11.678 -8.850 5.255 1.00 0.00 O ATOM 1746 CB ASP A 107 -12.715 -6.087 5.047 1.00 0.00 C ATOM 1747 CG ASP A 107 -13.972 -6.287 4.226 1.00 0.00 C ATOM 1748 OD1 ASP A 107 -15.027 -5.736 4.612 1.00 0.00 O ATOM 1749 OD2 ASP A 107 -13.913 -6.967 3.179 1.00 0.00 O ATOM 0 H ASP A 107 -10.762 -6.241 6.694 1.00 0.00 H new ATOM 0 HA ASP A 107 -13.623 -6.782 6.854 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -12.633 -5.038 5.331 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -11.844 -6.321 4.435 1.00 0.00 H new