USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 596 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 114 TYR OH : rot 180:sc= -1.15! USER MOD Set 1.2: B 123 ASN : amide:sc= -2.49 K(o=-3.6,f=-8.7!) USER MOD Set 2.1: A 2 LYS NZ :NH3+ 176:sc= 0.387! (180deg=0) USER MOD Set 2.2: B 111 SER OG : rot -6:sc= 0.757 USER MOD Set 3.1: A 14 TYR OH : rot 110:sc= -1.22! USER MOD Set 3.2: A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.3: B 103 GLN : amide:sc= -0.206 K(o=-1.4,f=-3.1!) USER MOD Set 4.1: A 31 THR OG1 : rot 72:sc= 1.72 USER MOD Set 4.2: B 131 THR OG1 : rot -165:sc= 0.753 USER MOD Set 5.1: A 11 SER OG : rot -99:sc= 0.931 USER MOD Set 5.2: A 15 GLN : amide:sc= 0.982 K(o=1.9,f=-0.93!) USER MOD Single : A 3 GLN : amide:sc= -1.91! C(o=-1.9!,f=-2.6!) USER MOD Single : A 6 THR OG1 : rot 62:sc= -7.39! USER MOD Single : A 8 THR OG1 : rot 180:sc= -1.76! USER MOD Single : A 13 SER OG : rot 127:sc= -2.53! USER MOD Single : A 20 TYR OH : rot 150:sc= -1.87 USER MOD Single : A 23 ASN : amide:sc= -0.593 K(o=-0.59,f=-1.5) USER MOD Single : A 25 SER OG : rot 180:sc= -0.428 USER MOD Single : A 29 SER OG : rot 99:sc= -0.62 USER MOD Single : A 30 THR OG1 : rot 97:sc= 1.14 USER MOD Single : A 32 MET CE :methyl -123:sc= -13.1! (180deg=-18.2!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -2.04 X(o=-2,f=-2!) USER MOD Single : B 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 THR OG1 : rot -130:sc= -2.67! USER MOD Single : B 108 THR OG1 : rot 51:sc= 0.3 USER MOD Single : B 113 SER OG : rot 55:sc= 1.14 USER MOD Single : B 115 GLN : amide:sc= 0 X(o=0,f=-0.0054) USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 TYR OH : rot 159:sc= -0.308 USER MOD Single : B 125 SER OG : rot 180:sc= 0 USER MOD Single : B 129 SER OG : rot 168:sc= 0.0285 USER MOD Single : B 130 THR OG1 : rot 66:sc= 1.16 USER MOD Single : B 132 MET CE :methyl 150:sc= -15.9! (180deg=-19.6!) USER MOD Single : B 133 GLN :FLIP amide:sc= -0.198 F(o=-1.5!,f=-0.2) USER MOD Single : B 134 ASN : amide:sc= -1.11 K(o=-1.1,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 4.968 -11.010 12.919 1.00 0.00 N ATOM 21 CA LYS A 2 4.537 -10.189 11.783 1.00 0.00 C ATOM 22 C LYS A 2 3.229 -10.721 11.192 1.00 0.00 C ATOM 23 O LYS A 2 3.016 -11.933 11.109 1.00 0.00 O ATOM 24 CB LYS A 2 5.632 -10.109 10.710 1.00 0.00 C ATOM 25 CG LYS A 2 6.888 -9.380 11.176 1.00 0.00 C ATOM 26 CD LYS A 2 6.574 -7.968 11.658 1.00 0.00 C ATOM 27 CE LYS A 2 7.783 -7.312 12.311 1.00 0.00 C ATOM 28 NZ LYS A 2 7.614 -7.173 13.788 1.00 0.00 N ATOM 0 HA LYS A 2 4.357 -9.178 12.150 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.901 -11.119 10.401 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.232 -9.603 9.831 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.358 -9.944 11.982 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.607 -9.334 10.358 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.242 -7.362 10.815 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.750 -8.002 12.370 1.00 0.00 H new ATOM 0 HE2 LYS A 2 8.674 -7.904 12.102 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.944 -6.328 11.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 8.485 -6.785 14.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 6.820 -6.532 13.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.419 -8.106 14.204 1.00 0.00 H new ATOM 42 N GLN A 3 2.344 -9.808 10.804 1.00 0.00 N ATOM 43 CA GLN A 3 1.053 -10.192 10.250 1.00 0.00 C ATOM 44 C GLN A 3 0.940 -9.834 8.785 1.00 0.00 C ATOM 45 O GLN A 3 1.048 -8.675 8.405 1.00 0.00 O ATOM 46 CB GLN A 3 -0.090 -9.532 11.040 1.00 0.00 C ATOM 47 CG GLN A 3 -1.454 -9.745 10.408 1.00 0.00 C ATOM 48 CD GLN A 3 -2.596 -9.240 11.265 1.00 0.00 C ATOM 49 OE1 GLN A 3 -2.415 -8.389 12.134 1.00 0.00 O ATOM 50 NE2 GLN A 3 -3.787 -9.751 11.012 1.00 0.00 N ATOM 0 H GLN A 3 2.497 -8.801 10.863 1.00 0.00 H new ATOM 0 HA GLN A 3 0.973 -11.276 10.337 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.100 -9.931 12.054 1.00 0.00 H new ATOM 0 HB3 GLN A 3 0.103 -8.462 11.121 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.482 -9.240 9.442 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.596 -10.809 10.216 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.895 -10.455 10.282 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -4.599 -9.441 11.546 1.00 0.00 H new ATOM 59 N ARG A 4 0.722 -10.843 7.959 1.00 0.00 N ATOM 60 CA ARG A 4 0.618 -10.621 6.537 1.00 0.00 C ATOM 61 C ARG A 4 -0.735 -10.058 6.153 1.00 0.00 C ATOM 62 O ARG A 4 -1.759 -10.744 6.178 1.00 0.00 O ATOM 63 CB ARG A 4 0.879 -11.907 5.770 1.00 0.00 C ATOM 64 CG ARG A 4 1.880 -11.722 4.653 1.00 0.00 C ATOM 65 CD ARG A 4 2.387 -13.058 4.161 1.00 0.00 C ATOM 66 NE ARG A 4 3.408 -13.616 5.061 1.00 0.00 N ATOM 67 CZ ARG A 4 4.698 -13.758 4.760 1.00 0.00 C ATOM 68 NH1 ARG A 4 5.168 -13.369 3.596 1.00 0.00 N ATOM 69 NH2 ARG A 4 5.524 -14.285 5.643 1.00 0.00 N ATOM 0 H ARG A 4 0.615 -11.815 8.251 1.00 0.00 H new ATOM 0 HA ARG A 4 1.378 -9.886 6.271 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.244 -12.669 6.458 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.059 -12.276 5.355 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.417 -11.178 3.830 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.716 -11.117 5.004 1.00 0.00 H new ATOM 0 HD2 ARG A 4 1.554 -13.756 4.079 1.00 0.00 H new ATOM 0 HD3 ARG A 4 2.806 -12.943 3.162 1.00 0.00 H new ATOM 0 HE ARG A 4 3.105 -13.918 5.987 1.00 0.00 H new ATOM 0 HH11 ARG A 4 4.542 -12.951 2.907 1.00 0.00 H new ATOM 0 HH12 ARG A 4 6.158 -13.485 3.381 1.00 0.00 H new ATOM 0 HH21 ARG A 4 5.175 -14.583 6.554 1.00 0.00 H new ATOM 0 HH22 ARG A 4 6.512 -14.395 5.415 1.00 0.00 H new ATOM 83 N ILE A 5 -0.704 -8.795 5.774 1.00 0.00 N ATOM 84 CA ILE A 5 -1.881 -8.076 5.337 1.00 0.00 C ATOM 85 C ILE A 5 -1.731 -7.823 3.859 1.00 0.00 C ATOM 86 O ILE A 5 -0.773 -7.174 3.433 1.00 0.00 O ATOM 87 CB ILE A 5 -2.044 -6.737 6.093 1.00 0.00 C ATOM 88 CG1 ILE A 5 -1.509 -5.556 5.268 1.00 0.00 C ATOM 89 CG2 ILE A 5 -1.318 -6.817 7.424 1.00 0.00 C ATOM 90 CD1 ILE A 5 -1.989 -4.206 5.725 1.00 0.00 C ATOM 0 H ILE A 5 0.149 -8.235 5.761 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.772 -8.668 5.546 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.107 -6.566 6.263 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.420 -5.570 5.301 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.798 -5.697 4.226 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.432 -5.874 7.958 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.741 -7.625 8.021 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.259 -7.010 7.250 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.562 -3.433 5.086 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.077 -4.167 5.664 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.677 -4.039 6.756 1.00 0.00 H new ATOM 102 N THR A 6 -2.609 -8.367 3.055 1.00 0.00 N ATOM 103 CA THR A 6 -2.447 -8.173 1.635 1.00 0.00 C ATOM 104 C THR A 6 -3.724 -7.764 0.902 1.00 0.00 C ATOM 105 O THR A 6 -4.776 -8.389 1.062 1.00 0.00 O ATOM 106 CB THR A 6 -1.788 -9.408 1.014 1.00 0.00 C ATOM 107 OG1 THR A 6 -2.310 -9.661 -0.257 1.00 0.00 O ATOM 108 CG2 THR A 6 -1.909 -10.681 1.835 1.00 0.00 C ATOM 0 H THR A 6 -3.413 -8.926 3.342 1.00 0.00 H new ATOM 0 HA THR A 6 -1.787 -7.315 1.508 1.00 0.00 H new ATOM 0 HB THR A 6 -0.729 -9.154 0.971 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.118 -8.902 -0.847 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.412 -11.499 1.313 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.440 -10.533 2.808 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.962 -10.926 1.974 1.00 0.00 H new ATOM 116 N VAL A 7 -3.597 -6.753 0.027 1.00 0.00 N ATOM 117 CA VAL A 7 -4.706 -6.285 -0.819 1.00 0.00 C ATOM 118 C VAL A 7 -4.538 -6.893 -2.217 1.00 0.00 C ATOM 119 O VAL A 7 -3.588 -6.562 -2.928 1.00 0.00 O ATOM 120 CB VAL A 7 -4.782 -4.713 -0.919 1.00 0.00 C ATOM 121 CG1 VAL A 7 -3.727 -4.052 -0.053 1.00 0.00 C ATOM 122 CG2 VAL A 7 -4.662 -4.196 -2.366 1.00 0.00 C ATOM 0 H VAL A 7 -2.727 -6.240 -0.113 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.640 -6.609 -0.361 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.772 -4.441 -0.552 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.807 -2.969 -0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.878 -4.340 0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.737 -4.372 -0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.721 -3.108 -2.370 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.706 -4.509 -2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.474 -4.606 -2.967 1.00 0.00 H new ATOM 132 N THR A 8 -5.429 -7.800 -2.608 1.00 0.00 N ATOM 133 CA THR A 8 -5.326 -8.433 -3.932 1.00 0.00 C ATOM 134 C THR A 8 -5.681 -7.463 -5.059 1.00 0.00 C ATOM 135 O THR A 8 -6.691 -7.646 -5.743 1.00 0.00 O ATOM 136 CB THR A 8 -6.213 -9.673 -4.043 1.00 0.00 C ATOM 137 OG1 THR A 8 -7.247 -9.657 -3.079 1.00 0.00 O ATOM 138 CG2 THR A 8 -5.465 -10.973 -3.893 1.00 0.00 C ATOM 0 H THR A 8 -6.219 -8.113 -2.044 1.00 0.00 H new ATOM 0 HA THR A 8 -4.283 -8.733 -4.039 1.00 0.00 H new ATOM 0 HB THR A 8 -6.621 -9.626 -5.053 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.798 -10.462 -3.177 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.162 -11.806 -3.984 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.706 -11.048 -4.672 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.985 -11.006 -2.915 1.00 0.00 H new ATOM 146 N VAL A 9 -4.852 -6.449 -5.275 1.00 0.00 N ATOM 147 CA VAL A 9 -5.118 -5.498 -6.354 1.00 0.00 C ATOM 148 C VAL A 9 -4.280 -5.835 -7.593 1.00 0.00 C ATOM 149 O VAL A 9 -4.429 -6.915 -8.166 1.00 0.00 O ATOM 150 CB VAL A 9 -4.914 -4.011 -5.939 1.00 0.00 C ATOM 151 CG1 VAL A 9 -6.096 -3.515 -5.124 1.00 0.00 C ATOM 152 CG2 VAL A 9 -3.594 -3.791 -5.196 1.00 0.00 C ATOM 0 H VAL A 9 -4.008 -6.263 -4.733 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.176 -5.603 -6.595 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.857 -3.423 -6.855 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.934 -2.474 -4.844 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.006 -3.593 -5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.197 -4.121 -4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.498 -2.739 -4.928 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.580 -4.399 -4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.762 -4.079 -5.839 1.00 0.00 H new ATOM 162 N ASP A 10 -3.443 -4.891 -8.019 1.00 0.00 N ATOM 163 CA ASP A 10 -2.610 -5.016 -9.194 1.00 0.00 C ATOM 164 C ASP A 10 -2.284 -3.597 -9.613 1.00 0.00 C ATOM 165 O ASP A 10 -1.259 -3.050 -9.211 1.00 0.00 O ATOM 166 CB ASP A 10 -3.332 -5.789 -10.314 1.00 0.00 C ATOM 167 CG ASP A 10 -2.684 -5.616 -11.670 1.00 0.00 C ATOM 168 OD1 ASP A 10 -1.571 -6.142 -11.868 1.00 0.00 O ATOM 169 OD2 ASP A 10 -3.294 -4.954 -12.534 1.00 0.00 O ATOM 0 H ASP A 10 -3.329 -3.999 -7.538 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.704 -5.585 -8.986 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.352 -6.849 -10.061 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.368 -5.454 -10.368 1.00 0.00 H new ATOM 174 N SER A 11 -3.175 -2.988 -10.384 1.00 0.00 N ATOM 175 CA SER A 11 -2.983 -1.619 -10.810 1.00 0.00 C ATOM 176 C SER A 11 -3.838 -0.635 -9.996 1.00 0.00 C ATOM 177 O SER A 11 -3.941 0.534 -10.379 1.00 0.00 O ATOM 178 CB SER A 11 -3.285 -1.480 -12.304 1.00 0.00 C ATOM 179 OG SER A 11 -2.157 -0.968 -13.003 1.00 0.00 O ATOM 0 H SER A 11 -4.033 -3.423 -10.723 1.00 0.00 H new ATOM 0 HA SER A 11 -1.938 -1.365 -10.631 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.563 -2.450 -12.715 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.138 -0.817 -12.447 1.00 0.00 H new ATOM 0 HG SER A 11 -2.272 -0.006 -13.149 1.00 0.00 H new ATOM 185 N ASP A 12 -4.447 -1.064 -8.859 1.00 0.00 N ATOM 186 CA ASP A 12 -5.244 -0.136 -8.061 1.00 0.00 C ATOM 187 C ASP A 12 -4.295 0.814 -7.332 1.00 0.00 C ATOM 188 O ASP A 12 -4.243 0.846 -6.105 1.00 0.00 O ATOM 189 CB ASP A 12 -6.121 -0.911 -7.067 1.00 0.00 C ATOM 190 CG ASP A 12 -7.593 -0.589 -7.202 1.00 0.00 C ATOM 191 OD1 ASP A 12 -8.224 -1.102 -8.147 1.00 0.00 O ATOM 192 OD2 ASP A 12 -8.113 0.170 -6.357 1.00 0.00 O ATOM 0 H ASP A 12 -4.397 -2.016 -8.496 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.907 0.441 -8.705 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.973 -1.980 -7.218 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.797 -0.684 -6.051 1.00 0.00 H new ATOM 197 N SER A 13 -3.511 1.560 -8.111 1.00 0.00 N ATOM 198 CA SER A 13 -2.512 2.503 -7.577 1.00 0.00 C ATOM 199 C SER A 13 -1.418 1.810 -6.729 1.00 0.00 C ATOM 200 O SER A 13 -0.312 2.345 -6.594 1.00 0.00 O ATOM 201 CB SER A 13 -3.201 3.586 -6.752 1.00 0.00 C ATOM 202 OG SER A 13 -4.131 4.302 -7.544 1.00 0.00 O ATOM 0 H SER A 13 -3.546 1.532 -9.130 1.00 0.00 H new ATOM 0 HA SER A 13 -2.012 2.950 -8.436 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.712 3.133 -5.902 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.456 4.271 -6.348 1.00 0.00 H new ATOM 0 HG SER A 13 -5.005 4.302 -7.102 1.00 0.00 H new ATOM 208 N TYR A 14 -1.729 0.622 -6.176 1.00 0.00 N ATOM 209 CA TYR A 14 -0.796 -0.147 -5.358 1.00 0.00 C ATOM 210 C TYR A 14 0.565 -0.266 -6.042 1.00 0.00 C ATOM 211 O TYR A 14 1.592 0.133 -5.485 1.00 0.00 O ATOM 212 CB TYR A 14 -1.338 -1.561 -5.108 1.00 0.00 C ATOM 213 CG TYR A 14 -0.273 -2.633 -5.250 1.00 0.00 C ATOM 214 CD1 TYR A 14 0.759 -2.733 -4.328 1.00 0.00 C ATOM 215 CD2 TYR A 14 -0.283 -3.522 -6.319 1.00 0.00 C ATOM 216 CE1 TYR A 14 1.746 -3.686 -4.457 1.00 0.00 C ATOM 217 CE2 TYR A 14 0.700 -4.483 -6.455 1.00 0.00 C ATOM 218 CZ TYR A 14 1.712 -4.562 -5.523 1.00 0.00 C ATOM 219 OH TYR A 14 2.692 -5.518 -5.663 1.00 0.00 O ATOM 0 H TYR A 14 -2.639 0.175 -6.289 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.682 0.382 -4.412 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.765 -1.610 -4.106 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.147 -1.764 -5.809 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.789 -2.050 -3.492 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -1.072 -3.460 -7.054 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.541 -3.747 -3.729 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.675 -5.170 -7.288 1.00 0.00 H new ATOM 0 HH TYR A 14 2.312 -6.404 -5.488 1.00 0.00 H new ATOM 229 N GLN A 15 0.559 -0.883 -7.236 1.00 0.00 N ATOM 230 CA GLN A 15 1.784 -1.132 -7.980 1.00 0.00 C ATOM 231 C GLN A 15 2.675 0.115 -8.095 1.00 0.00 C ATOM 232 O GLN A 15 3.894 -0.004 -8.030 1.00 0.00 O ATOM 233 CB GLN A 15 1.462 -1.664 -9.384 1.00 0.00 C ATOM 234 CG GLN A 15 0.339 -0.914 -10.091 1.00 0.00 C ATOM 235 CD GLN A 15 0.833 -0.013 -11.207 1.00 0.00 C ATOM 236 OE1 GLN A 15 1.880 0.619 -11.091 1.00 0.00 O ATOM 237 NE2 GLN A 15 0.083 0.057 -12.299 1.00 0.00 N ATOM 0 H GLN A 15 -0.287 -1.215 -7.699 1.00 0.00 H new ATOM 0 HA GLN A 15 2.340 -1.882 -7.417 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.362 -1.610 -9.996 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.190 -2.717 -9.308 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.369 -1.635 -10.501 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.204 -0.313 -9.361 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.781 -0.482 -12.360 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.370 0.650 -13.078 1.00 0.00 H new ATOM 246 N LEU A 16 2.073 1.297 -8.250 1.00 0.00 N ATOM 247 CA LEU A 16 2.839 2.549 -8.367 1.00 0.00 C ATOM 248 C LEU A 16 3.716 2.801 -7.132 1.00 0.00 C ATOM 249 O LEU A 16 4.904 3.099 -7.254 1.00 0.00 O ATOM 250 CB LEU A 16 1.890 3.737 -8.584 1.00 0.00 C ATOM 251 CG LEU A 16 2.138 4.544 -9.861 1.00 0.00 C ATOM 252 CD1 LEU A 16 0.825 5.047 -10.439 1.00 0.00 C ATOM 253 CD2 LEU A 16 3.077 5.708 -9.584 1.00 0.00 C ATOM 0 H LEU A 16 1.061 1.417 -8.298 1.00 0.00 H new ATOM 0 HA LEU A 16 3.498 2.448 -9.230 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.866 3.365 -8.602 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.971 4.407 -7.728 1.00 0.00 H new ATOM 0 HG LEU A 16 2.608 3.888 -10.594 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.022 5.618 -11.346 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.183 4.199 -10.677 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.327 5.685 -9.709 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.241 6.270 -10.504 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.634 6.362 -8.833 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.030 5.327 -9.216 1.00 0.00 H new ATOM 265 N LEU A 17 3.108 2.691 -5.952 1.00 0.00 N ATOM 266 CA LEU A 17 3.830 2.921 -4.693 1.00 0.00 C ATOM 267 C LEU A 17 5.114 2.104 -4.624 1.00 0.00 C ATOM 268 O LEU A 17 6.207 2.641 -4.455 1.00 0.00 O ATOM 269 CB LEU A 17 2.972 2.585 -3.490 1.00 0.00 C ATOM 270 CG LEU A 17 2.571 3.793 -2.652 1.00 0.00 C ATOM 271 CD1 LEU A 17 3.754 4.283 -1.845 1.00 0.00 C ATOM 272 CD2 LEU A 17 2.038 4.904 -3.539 1.00 0.00 C ATOM 0 H LEU A 17 2.125 2.446 -5.837 1.00 0.00 H new ATOM 0 HA LEU A 17 4.079 3.982 -4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.070 2.078 -3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.513 1.881 -2.857 1.00 0.00 H new ATOM 0 HG LEU A 17 1.779 3.493 -1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.456 5.146 -1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.098 3.488 -1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.561 4.568 -2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.757 5.758 -2.923 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.810 5.206 -4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.164 4.547 -4.084 1.00 0.00 H new ATOM 284 N LYS A 18 4.970 0.802 -4.773 1.00 0.00 N ATOM 285 CA LYS A 18 6.108 -0.099 -4.744 1.00 0.00 C ATOM 286 C LYS A 18 6.949 0.087 -5.994 1.00 0.00 C ATOM 287 O LYS A 18 8.162 -0.121 -5.982 1.00 0.00 O ATOM 288 CB LYS A 18 5.615 -1.532 -4.641 1.00 0.00 C ATOM 289 CG LYS A 18 4.609 -1.858 -5.720 1.00 0.00 C ATOM 290 CD LYS A 18 4.693 -3.319 -6.131 1.00 0.00 C ATOM 291 CE LYS A 18 4.202 -3.532 -7.553 1.00 0.00 C ATOM 292 NZ LYS A 18 4.823 -4.733 -8.182 1.00 0.00 N ATOM 0 H LYS A 18 4.071 0.341 -4.916 1.00 0.00 H new ATOM 0 HA LYS A 18 6.728 0.125 -3.876 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.462 -2.214 -4.716 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.163 -1.691 -3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.604 -1.636 -5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.785 -1.223 -6.588 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.724 -3.662 -6.047 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.099 -3.924 -5.446 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.118 -3.644 -7.550 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.430 -2.650 -8.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.462 -4.843 -9.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.856 -4.616 -8.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.585 -5.579 -7.626 1.00 0.00 H new ATOM 306 N ALA A 19 6.279 0.502 -7.060 1.00 0.00 N ATOM 307 CA ALA A 19 6.925 0.751 -8.339 1.00 0.00 C ATOM 308 C ALA A 19 7.909 1.906 -8.228 1.00 0.00 C ATOM 309 O ALA A 19 8.881 1.971 -8.983 1.00 0.00 O ATOM 310 CB ALA A 19 5.900 1.036 -9.427 1.00 0.00 C ATOM 0 H ALA A 19 5.274 0.675 -7.062 1.00 0.00 H new ATOM 0 HA ALA A 19 7.473 -0.150 -8.615 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.413 1.218 -10.371 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.236 0.179 -9.534 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.316 1.916 -9.156 1.00 0.00 H new ATOM 316 N TYR A 20 7.673 2.814 -7.272 1.00 0.00 N ATOM 317 CA TYR A 20 8.573 3.927 -7.087 1.00 0.00 C ATOM 318 C TYR A 20 9.697 3.535 -6.137 1.00 0.00 C ATOM 319 O TYR A 20 10.844 3.861 -6.424 1.00 0.00 O ATOM 320 CB TYR A 20 7.842 5.232 -6.666 1.00 0.00 C ATOM 321 CG TYR A 20 7.380 5.359 -5.217 1.00 0.00 C ATOM 322 CD1 TYR A 20 8.221 5.091 -4.141 1.00 0.00 C ATOM 323 CD2 TYR A 20 6.082 5.771 -4.932 1.00 0.00 C ATOM 324 CE1 TYR A 20 7.781 5.218 -2.840 1.00 0.00 C ATOM 325 CE2 TYR A 20 5.641 5.897 -3.634 1.00 0.00 C ATOM 326 CZ TYR A 20 6.491 5.617 -2.595 1.00 0.00 C ATOM 327 OH TYR A 20 6.045 5.738 -1.305 1.00 0.00 O ATOM 0 H TYR A 20 6.878 2.790 -6.633 1.00 0.00 H new ATOM 0 HA TYR A 20 9.021 4.165 -8.052 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.505 6.070 -6.880 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.968 5.346 -7.307 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.237 4.778 -4.328 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.407 5.996 -5.745 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.448 5.004 -2.018 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.628 6.215 -3.435 1.00 0.00 H new ATOM 0 HH TYR A 20 5.359 6.436 -1.260 1.00 0.00 H new ATOM 337 N ASP A 21 9.388 2.793 -5.042 1.00 0.00 N ATOM 338 CA ASP A 21 10.449 2.343 -4.109 1.00 0.00 C ATOM 339 C ASP A 21 9.930 2.025 -2.704 1.00 0.00 C ATOM 340 O ASP A 21 10.625 2.286 -1.716 1.00 0.00 O ATOM 341 CB ASP A 21 11.568 3.397 -3.986 1.00 0.00 C ATOM 342 CG ASP A 21 12.885 2.924 -4.568 1.00 0.00 C ATOM 343 OD1 ASP A 21 13.287 1.776 -4.280 1.00 0.00 O ATOM 344 OD2 ASP A 21 13.519 3.706 -5.304 1.00 0.00 O ATOM 0 H ASP A 21 8.443 2.502 -4.790 1.00 0.00 H new ATOM 0 HA ASP A 21 10.838 1.422 -4.544 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.258 4.310 -4.494 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.710 3.649 -2.935 1.00 0.00 H new ATOM 349 N VAL A 22 8.727 1.471 -2.584 1.00 0.00 N ATOM 350 CA VAL A 22 8.205 1.166 -1.258 1.00 0.00 C ATOM 351 C VAL A 22 6.965 0.270 -1.281 1.00 0.00 C ATOM 352 O VAL A 22 5.832 0.722 -1.463 1.00 0.00 O ATOM 353 CB VAL A 22 7.949 2.488 -0.485 1.00 0.00 C ATOM 354 CG1 VAL A 22 6.504 2.948 -0.558 1.00 0.00 C ATOM 355 CG2 VAL A 22 8.400 2.363 0.962 1.00 0.00 C ATOM 0 H VAL A 22 8.113 1.231 -3.362 1.00 0.00 H new ATOM 0 HA VAL A 22 8.962 0.583 -0.734 1.00 0.00 H new ATOM 0 HB VAL A 22 8.546 3.255 -0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.389 3.876 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.227 3.115 -1.599 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.857 2.183 -0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.211 3.301 1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.846 1.559 1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.466 2.139 0.993 1.00 0.00 H new ATOM 365 N ASN A 23 7.190 -1.032 -1.112 1.00 0.00 N ATOM 366 CA ASN A 23 6.093 -1.996 -1.109 1.00 0.00 C ATOM 367 C ASN A 23 5.208 -1.783 0.121 1.00 0.00 C ATOM 368 O ASN A 23 5.121 -2.642 0.992 1.00 0.00 O ATOM 369 CB ASN A 23 6.610 -3.433 -1.138 1.00 0.00 C ATOM 370 CG ASN A 23 7.553 -3.701 -2.296 1.00 0.00 C ATOM 371 OD1 ASN A 23 7.120 -4.001 -3.404 1.00 0.00 O ATOM 372 ND2 ASN A 23 8.851 -3.605 -2.046 1.00 0.00 N ATOM 0 H ASN A 23 8.115 -1.441 -0.976 1.00 0.00 H new ATOM 0 HA ASN A 23 5.504 -1.833 -2.011 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.124 -3.647 -0.201 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.763 -4.117 -1.201 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.528 -3.783 -2.788 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.173 -3.353 -1.112 1.00 0.00 H new ATOM 379 N ILE A 24 4.547 -0.625 0.135 1.00 0.00 N ATOM 380 CA ILE A 24 3.609 -0.151 1.153 1.00 0.00 C ATOM 381 C ILE A 24 3.877 -0.485 2.631 1.00 0.00 C ATOM 382 O ILE A 24 3.134 -0.003 3.485 1.00 0.00 O ATOM 383 CB ILE A 24 2.178 -0.533 0.793 1.00 0.00 C ATOM 384 CG1 ILE A 24 2.156 -1.562 -0.317 1.00 0.00 C ATOM 385 CG2 ILE A 24 1.384 0.699 0.421 1.00 0.00 C ATOM 386 CD1 ILE A 24 2.575 -2.886 0.209 1.00 0.00 C ATOM 0 H ILE A 24 4.661 0.054 -0.618 1.00 0.00 H new ATOM 0 HA ILE A 24 3.777 0.925 1.114 1.00 0.00 H new ATOM 0 HB ILE A 24 1.709 -0.986 1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.154 -1.630 -0.741 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.822 -1.254 -1.123 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.364 0.411 0.166 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.366 1.389 1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.848 1.186 -0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.556 -3.620 -0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.586 -2.814 0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.891 -3.197 0.999 1.00 0.00 H new ATOM 398 N SER A 25 4.870 -1.306 2.947 1.00 0.00 N ATOM 399 CA SER A 25 5.139 -1.691 4.336 1.00 0.00 C ATOM 400 C SER A 25 4.929 -0.509 5.302 1.00 0.00 C ATOM 401 O SER A 25 4.053 -0.561 6.184 1.00 0.00 O ATOM 402 CB SER A 25 6.566 -2.247 4.447 1.00 0.00 C ATOM 403 OG SER A 25 7.409 -1.411 5.223 1.00 0.00 O ATOM 0 H SER A 25 5.505 -1.721 2.265 1.00 0.00 H new ATOM 0 HA SER A 25 4.430 -2.467 4.624 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.533 -3.241 4.893 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.989 -2.360 3.449 1.00 0.00 H new ATOM 0 HG SER A 25 8.306 -1.803 5.269 1.00 0.00 H new ATOM 409 N GLY A 26 5.714 0.554 5.120 1.00 0.00 N ATOM 410 CA GLY A 26 5.592 1.731 5.964 1.00 0.00 C ATOM 411 C GLY A 26 4.438 2.640 5.566 1.00 0.00 C ATOM 412 O GLY A 26 3.828 3.270 6.430 1.00 0.00 O ATOM 0 H GLY A 26 6.434 0.619 4.400 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.457 1.415 6.998 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.522 2.297 5.923 1.00 0.00 H new ATOM 416 N LEU A 27 4.134 2.715 4.263 1.00 0.00 N ATOM 417 CA LEU A 27 3.055 3.552 3.776 1.00 0.00 C ATOM 418 C LEU A 27 1.707 3.114 4.333 1.00 0.00 C ATOM 419 O LEU A 27 1.043 3.883 5.035 1.00 0.00 O ATOM 420 CB LEU A 27 3.015 3.478 2.263 1.00 0.00 C ATOM 421 CG LEU A 27 1.744 4.024 1.646 1.00 0.00 C ATOM 422 CD1 LEU A 27 1.687 5.523 1.833 1.00 0.00 C ATOM 423 CD2 LEU A 27 1.694 3.648 0.190 1.00 0.00 C ATOM 0 H LEU A 27 4.628 2.200 3.534 1.00 0.00 H new ATOM 0 HA LEU A 27 3.242 4.573 4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.866 4.029 1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.135 2.438 1.958 1.00 0.00 H new ATOM 0 HG LEU A 27 0.874 3.592 2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.771 5.911 1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.700 5.758 2.897 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.549 5.983 1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.780 4.040 -0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.558 4.069 -0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.708 2.562 0.094 1.00 0.00 H new ATOM 435 N VAL A 28 1.304 1.878 4.009 1.00 0.00 N ATOM 436 CA VAL A 28 0.036 1.347 4.486 1.00 0.00 C ATOM 437 C VAL A 28 -0.127 1.631 5.972 1.00 0.00 C ATOM 438 O VAL A 28 -0.953 2.440 6.353 1.00 0.00 O ATOM 439 CB VAL A 28 -0.069 -0.165 4.211 1.00 0.00 C ATOM 440 CG1 VAL A 28 -1.149 -0.824 5.058 1.00 0.00 C ATOM 441 CG2 VAL A 28 -0.337 -0.380 2.741 1.00 0.00 C ATOM 0 H VAL A 28 1.839 1.237 3.423 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.768 1.844 3.943 1.00 0.00 H new ATOM 0 HB VAL A 28 0.876 -0.634 4.487 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.189 -1.890 4.832 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.918 -0.685 6.114 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.114 -0.370 4.835 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.413 -1.448 2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.272 0.109 2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.480 0.044 2.156 1.00 0.00 H new ATOM 451 N SER A 29 0.688 0.979 6.790 1.00 0.00 N ATOM 452 CA SER A 29 0.661 1.160 8.238 1.00 0.00 C ATOM 453 C SER A 29 0.701 2.639 8.643 1.00 0.00 C ATOM 454 O SER A 29 0.013 3.035 9.588 1.00 0.00 O ATOM 455 CB SER A 29 1.834 0.417 8.844 1.00 0.00 C ATOM 456 OG SER A 29 1.992 -0.848 8.217 1.00 0.00 O ATOM 0 H SER A 29 1.387 0.309 6.470 1.00 0.00 H new ATOM 0 HA SER A 29 -0.280 0.758 8.615 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.745 1.005 8.728 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.675 0.283 9.914 1.00 0.00 H new ATOM 0 HG SER A 29 2.692 -0.789 7.534 1.00 0.00 H new ATOM 462 N THR A 30 1.459 3.467 7.912 1.00 0.00 N ATOM 463 CA THR A 30 1.509 4.895 8.205 1.00 0.00 C ATOM 464 C THR A 30 0.131 5.448 7.966 1.00 0.00 C ATOM 465 O THR A 30 -0.458 6.111 8.820 1.00 0.00 O ATOM 466 CB THR A 30 2.509 5.616 7.298 1.00 0.00 C ATOM 467 OG1 THR A 30 3.835 5.359 7.707 1.00 0.00 O ATOM 468 CG2 THR A 30 2.316 7.118 7.264 1.00 0.00 C ATOM 0 H THR A 30 2.037 3.173 7.125 1.00 0.00 H new ATOM 0 HA THR A 30 1.831 5.047 9.235 1.00 0.00 H new ATOM 0 HB THR A 30 2.324 5.223 6.298 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.209 4.632 7.166 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.058 7.565 6.602 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.316 7.348 6.896 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.435 7.523 8.269 1.00 0.00 H new ATOM 476 N THR A 31 -0.381 5.137 6.783 1.00 0.00 N ATOM 477 CA THR A 31 -1.702 5.560 6.392 1.00 0.00 C ATOM 478 C THR A 31 -2.740 4.981 7.346 1.00 0.00 C ATOM 479 O THR A 31 -3.703 5.655 7.724 1.00 0.00 O ATOM 480 CB THR A 31 -2.016 5.130 4.962 1.00 0.00 C ATOM 481 OG1 THR A 31 -0.995 5.545 4.069 1.00 0.00 O ATOM 482 CG2 THR A 31 -3.326 5.693 4.464 1.00 0.00 C ATOM 0 H THR A 31 0.110 4.588 6.078 1.00 0.00 H new ATOM 0 HA THR A 31 -1.736 6.649 6.437 1.00 0.00 H new ATOM 0 HB THR A 31 -2.083 4.042 4.987 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.189 5.008 4.221 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.502 5.357 3.442 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.138 5.347 5.104 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.286 6.782 4.486 1.00 0.00 H new ATOM 490 N MET A 32 -2.526 3.723 7.734 1.00 0.00 N ATOM 491 CA MET A 32 -3.410 3.025 8.637 1.00 0.00 C ATOM 492 C MET A 32 -3.545 3.746 9.962 1.00 0.00 C ATOM 493 O MET A 32 -4.642 4.106 10.347 1.00 0.00 O ATOM 494 CB MET A 32 -2.897 1.610 8.864 1.00 0.00 C ATOM 495 CG MET A 32 -2.934 0.756 7.619 1.00 0.00 C ATOM 496 SD MET A 32 -4.606 0.347 7.138 1.00 0.00 S ATOM 497 CE MET A 32 -4.353 -1.306 6.558 1.00 0.00 C ATOM 0 H MET A 32 -1.729 3.167 7.424 1.00 0.00 H new ATOM 0 HA MET A 32 -4.399 2.991 8.179 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.873 1.657 9.234 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.495 1.134 9.641 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.441 1.283 6.803 1.00 0.00 H new ATOM 0 HG3 MET A 32 -2.372 -0.162 7.792 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.691 -1.385 5.525 1.00 0.00 H new ATOM 0 HE2 MET A 32 -3.293 -1.552 6.612 1.00 0.00 H new ATOM 0 HE3 MET A 32 -4.919 -2.000 7.179 1.00 0.00 H new ATOM 507 N GLN A 33 -2.434 3.969 10.653 1.00 0.00 N ATOM 508 CA GLN A 33 -2.476 4.663 11.939 1.00 0.00 C ATOM 509 C GLN A 33 -3.216 5.993 11.819 1.00 0.00 C ATOM 510 O GLN A 33 -3.926 6.400 12.742 1.00 0.00 O ATOM 511 CB GLN A 33 -1.065 4.893 12.469 1.00 0.00 C ATOM 512 CG GLN A 33 -1.024 5.341 13.924 1.00 0.00 C ATOM 513 CD GLN A 33 -0.116 6.534 14.153 1.00 0.00 C ATOM 514 OE1 GLN A 33 -0.552 7.574 14.644 1.00 0.00 O ATOM 515 NE2 GLN A 33 1.154 6.390 13.798 1.00 0.00 N ATOM 0 H GLN A 33 -1.502 3.684 10.351 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.018 4.032 12.643 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.493 3.971 12.365 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.573 5.645 11.852 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.034 5.592 14.249 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.687 4.511 14.544 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.474 5.510 13.394 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.811 7.160 13.929 1.00 0.00 H new ATOM 524 N ASN A 34 -3.061 6.660 10.675 1.00 0.00 N ATOM 525 CA ASN A 34 -3.729 7.933 10.442 1.00 0.00 C ATOM 526 C ASN A 34 -5.237 7.726 10.262 1.00 0.00 C ATOM 527 O ASN A 34 -6.029 8.294 11.020 1.00 0.00 O ATOM 528 CB ASN A 34 -3.084 8.659 9.244 1.00 0.00 C ATOM 529 CG ASN A 34 -4.051 8.996 8.125 1.00 0.00 C ATOM 530 OD1 ASN A 34 -5.052 9.677 8.332 1.00 0.00 O ATOM 531 ND2 ASN A 34 -3.742 8.527 6.927 1.00 0.00 N ATOM 0 H ASN A 34 -2.480 6.339 9.900 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.602 8.573 11.315 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.621 9.580 9.598 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.285 8.035 8.843 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.346 8.727 6.130 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.900 7.965 6.801 1.00 0.00 H new ATOM 538 N GLU A 35 -5.637 6.878 9.306 1.00 0.00 N ATOM 539 CA GLU A 35 -7.061 6.592 9.110 1.00 0.00 C ATOM 540 C GLU A 35 -7.586 5.775 10.290 1.00 0.00 C ATOM 541 O GLU A 35 -8.787 5.714 10.534 1.00 0.00 O ATOM 542 CB GLU A 35 -7.317 5.843 7.799 1.00 0.00 C ATOM 543 CG GLU A 35 -8.506 6.380 7.005 1.00 0.00 C ATOM 544 CD GLU A 35 -9.812 6.372 7.787 1.00 0.00 C ATOM 545 OE1 GLU A 35 -10.515 5.340 7.763 1.00 0.00 O ATOM 546 OE2 GLU A 35 -10.138 7.405 8.415 1.00 0.00 O ATOM 0 H GLU A 35 -5.009 6.388 8.669 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.590 7.543 9.053 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.423 5.899 7.179 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.486 4.789 8.020 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.289 7.399 6.686 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.629 5.783 6.102 1.00 0.00 H new ATOM 553 N ALA A 36 -6.668 5.175 11.047 1.00 0.00 N ATOM 554 CA ALA A 36 -7.016 4.398 12.222 1.00 0.00 C ATOM 555 C ALA A 36 -7.377 5.342 13.359 1.00 0.00 C ATOM 556 O ALA A 36 -8.430 5.214 13.984 1.00 0.00 O ATOM 557 CB ALA A 36 -5.849 3.507 12.627 1.00 0.00 C ATOM 0 H ALA A 36 -5.666 5.217 10.858 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.872 3.762 11.995 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.122 2.929 13.510 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.608 2.828 11.809 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.980 4.125 12.853 1.00 0.00 H new ATOM 563 N ARG A 37 -6.489 6.314 13.603 1.00 0.00 N ATOM 564 CA ARG A 37 -6.707 7.309 14.643 1.00 0.00 C ATOM 565 C ARG A 37 -7.874 8.193 14.279 1.00 0.00 C ATOM 566 O ARG A 37 -8.832 8.337 15.036 1.00 0.00 O ATOM 567 CB ARG A 37 -5.493 8.207 14.789 1.00 0.00 C ATOM 568 CG ARG A 37 -4.627 7.892 15.993 1.00 0.00 C ATOM 569 CD ARG A 37 -3.851 9.116 16.450 1.00 0.00 C ATOM 570 NE ARG A 37 -4.181 9.484 17.829 1.00 0.00 N ATOM 571 CZ ARG A 37 -3.558 10.427 18.527 1.00 0.00 C ATOM 572 NH1 ARG A 37 -2.558 11.109 18.000 1.00 0.00 N ATOM 573 NH2 ARG A 37 -3.939 10.684 19.762 1.00 0.00 N ATOM 0 H ARG A 37 -5.614 6.427 13.090 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.898 6.774 15.573 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.885 8.127 13.888 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.827 9.242 14.857 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.253 7.530 16.809 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.932 7.090 15.744 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.782 8.919 16.372 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.070 9.954 15.788 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.942 8.981 18.285 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.255 10.915 17.046 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.088 11.830 18.547 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.709 10.160 20.178 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.464 11.407 20.302 1.00 0.00 H new ATOM 587 N ARG A 38 -7.759 8.805 13.109 1.00 0.00 N ATOM 588 CA ARG A 38 -8.783 9.700 12.631 1.00 0.00 C ATOM 589 C ARG A 38 -10.100 8.948 12.431 1.00 0.00 C ATOM 590 O ARG A 38 -11.154 9.401 12.881 1.00 0.00 O ATOM 591 CB ARG A 38 -8.350 10.384 11.329 1.00 0.00 C ATOM 592 CG ARG A 38 -8.138 11.885 11.468 1.00 0.00 C ATOM 593 CD ARG A 38 -8.791 12.650 10.325 1.00 0.00 C ATOM 594 NE ARG A 38 -10.182 13.003 10.627 1.00 0.00 N ATOM 595 CZ ARG A 38 -10.551 13.998 11.426 1.00 0.00 C ATOM 596 NH1 ARG A 38 -9.648 14.742 12.035 1.00 0.00 N ATOM 597 NH2 ARG A 38 -11.831 14.237 11.620 1.00 0.00 N ATOM 0 H ARG A 38 -6.964 8.693 12.479 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.936 10.473 13.384 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.425 9.926 10.979 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.105 10.202 10.565 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.551 12.225 12.418 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.070 12.102 11.489 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.222 13.557 10.124 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.759 12.046 9.418 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.918 12.445 10.193 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.655 14.556 11.895 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.943 15.503 12.646 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.533 13.660 11.158 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.120 15.000 12.232 1.00 0.00 H new ATOM 1184 N LYS B 102 -4.800 -10.613 -11.042 1.00 0.00 N ATOM 1185 CA LYS B 102 -4.664 -9.634 -9.960 1.00 0.00 C ATOM 1186 C LYS B 102 -3.346 -9.840 -9.215 1.00 0.00 C ATOM 1187 O LYS B 102 -2.779 -10.934 -9.240 1.00 0.00 O ATOM 1188 CB LYS B 102 -5.836 -9.753 -8.978 1.00 0.00 C ATOM 1189 CG LYS B 102 -7.188 -9.416 -9.587 1.00 0.00 C ATOM 1190 CD LYS B 102 -8.030 -8.575 -8.638 1.00 0.00 C ATOM 1191 CE LYS B 102 -7.563 -7.127 -8.610 1.00 0.00 C ATOM 1192 NZ LYS B 102 -8.426 -6.247 -9.454 1.00 0.00 N ATOM 0 HA LYS B 102 -4.670 -8.637 -10.401 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -5.868 -10.770 -8.588 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -5.655 -9.092 -8.130 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -7.043 -8.876 -10.523 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -7.719 -10.336 -9.829 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -9.075 -8.615 -8.945 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -7.976 -8.995 -7.634 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -7.569 -6.763 -7.582 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -6.533 -7.071 -8.962 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -8.075 -5.269 -9.408 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -8.401 -6.578 -10.440 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -9.404 -6.280 -9.103 1.00 0.00 H new ATOM 1206 N GLN B 103 -2.863 -8.797 -8.542 1.00 0.00 N ATOM 1207 CA GLN B 103 -1.621 -8.896 -7.795 1.00 0.00 C ATOM 1208 C GLN B 103 -1.851 -8.766 -6.304 1.00 0.00 C ATOM 1209 O GLN B 103 -2.271 -7.717 -5.810 1.00 0.00 O ATOM 1210 CB GLN B 103 -0.602 -7.831 -8.245 1.00 0.00 C ATOM 1211 CG GLN B 103 0.661 -7.833 -7.393 1.00 0.00 C ATOM 1212 CD GLN B 103 1.948 -7.684 -8.190 1.00 0.00 C ATOM 1213 OE1 GLN B 103 1.931 -7.437 -9.393 1.00 0.00 O ATOM 1214 NE2 GLN B 103 3.080 -7.827 -7.516 1.00 0.00 N ATOM 0 H GLN B 103 -3.312 -7.882 -8.501 1.00 0.00 H new ATOM 0 HA GLN B 103 -1.216 -9.886 -8.004 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -0.334 -8.007 -9.287 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -1.066 -6.846 -8.198 1.00 0.00 H new ATOM 0 HG2 GLN B 103 0.599 -7.021 -6.668 1.00 0.00 H new ATOM 0 HG3 GLN B 103 0.703 -8.763 -6.826 1.00 0.00 H new ATOM 0 HE21 GLN B 103 3.056 -8.032 -6.517 1.00 0.00 H new ATOM 0 HE22 GLN B 103 3.975 -7.732 -7.996 1.00 0.00 H new ATOM 1223 N ARG B 104 -1.542 -9.834 -5.587 1.00 0.00 N ATOM 1224 CA ARG B 104 -1.682 -9.824 -4.153 1.00 0.00 C ATOM 1225 C ARG B 104 -0.499 -9.097 -3.528 1.00 0.00 C ATOM 1226 O ARG B 104 0.645 -9.550 -3.602 1.00 0.00 O ATOM 1227 CB ARG B 104 -1.796 -11.238 -3.588 1.00 0.00 C ATOM 1228 CG ARG B 104 -2.413 -11.226 -2.208 1.00 0.00 C ATOM 1229 CD ARG B 104 -3.115 -12.518 -1.854 1.00 0.00 C ATOM 1230 NE ARG B 104 -4.565 -12.313 -1.745 1.00 0.00 N ATOM 1231 CZ ARG B 104 -5.143 -11.325 -1.049 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -4.451 -10.558 -0.244 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -6.420 -11.088 -1.175 1.00 0.00 N ATOM 0 H ARG B 104 -1.195 -10.710 -5.978 1.00 0.00 H new ATOM 0 HA ARG B 104 -2.604 -9.298 -3.905 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -2.402 -11.851 -4.255 1.00 0.00 H new ATOM 0 HB3 ARG B 104 -0.808 -11.696 -3.544 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -1.634 -11.031 -1.471 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -3.126 -10.404 -2.144 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -2.906 -13.270 -2.615 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -2.726 -12.902 -0.911 1.00 0.00 H new ATOM 0 HE ARG B 104 -5.175 -12.969 -2.233 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -3.448 -10.706 -0.136 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -4.915 -9.812 0.275 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -6.984 -11.657 -1.806 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -6.854 -10.334 -0.642 1.00 0.00 H new ATOM 1247 N ILE B 105 -0.796 -7.962 -2.915 1.00 0.00 N ATOM 1248 CA ILE B 105 0.210 -7.138 -2.263 1.00 0.00 C ATOM 1249 C ILE B 105 0.067 -7.290 -0.766 1.00 0.00 C ATOM 1250 O ILE B 105 -1.014 -7.073 -0.234 1.00 0.00 O ATOM 1251 CB ILE B 105 0.058 -5.652 -2.677 1.00 0.00 C ATOM 1252 CG1 ILE B 105 -0.690 -4.838 -1.618 1.00 0.00 C ATOM 1253 CG2 ILE B 105 -0.681 -5.565 -4.003 1.00 0.00 C ATOM 1254 CD1 ILE B 105 -0.594 -3.342 -1.828 1.00 0.00 C ATOM 0 H ILE B 105 -1.742 -7.586 -2.855 1.00 0.00 H new ATOM 0 HA ILE B 105 1.203 -7.465 -2.572 1.00 0.00 H new ATOM 0 HB ILE B 105 1.058 -5.230 -2.776 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -1.740 -5.131 -1.621 1.00 0.00 H new ATOM 0 HG13 ILE B 105 -0.293 -5.085 -0.634 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -0.787 -4.520 -4.293 1.00 0.00 H new ATOM 0 HG22 ILE B 105 -0.118 -6.098 -4.769 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -1.669 -6.015 -3.899 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -1.147 -2.828 -1.042 1.00 0.00 H new ATOM 0 HD12 ILE B 105 0.452 -3.036 -1.796 1.00 0.00 H new ATOM 0 HD13 ILE B 105 -1.018 -3.083 -2.798 1.00 0.00 H new ATOM 1266 N THR B 106 1.125 -7.710 -0.093 1.00 0.00 N ATOM 1267 CA THR B 106 1.043 -7.932 1.345 1.00 0.00 C ATOM 1268 C THR B 106 2.105 -7.166 2.139 1.00 0.00 C ATOM 1269 O THR B 106 3.303 -7.393 1.967 1.00 0.00 O ATOM 1270 CB THR B 106 1.099 -9.455 1.644 1.00 0.00 C ATOM 1271 OG1 THR B 106 2.123 -9.793 2.560 1.00 0.00 O ATOM 1272 CG2 THR B 106 1.277 -10.327 0.411 1.00 0.00 C ATOM 0 H THR B 106 2.037 -7.902 -0.508 1.00 0.00 H new ATOM 0 HA THR B 106 0.086 -7.532 1.681 1.00 0.00 H new ATOM 0 HB THR B 106 0.120 -9.660 2.077 1.00 0.00 H new ATOM 0 HG1 THR B 106 2.654 -10.533 2.198 1.00 0.00 H new ATOM 0 HG21 THR B 106 1.306 -11.375 0.708 1.00 0.00 H new ATOM 0 HG22 THR B 106 0.443 -10.166 -0.272 1.00 0.00 H new ATOM 0 HG23 THR B 106 2.210 -10.065 -0.088 1.00 0.00 H new ATOM 1280 N VAL B 107 1.638 -6.354 3.094 1.00 0.00 N ATOM 1281 CA VAL B 107 2.511 -5.641 4.037 1.00 0.00 C ATOM 1282 C VAL B 107 2.452 -6.417 5.346 1.00 0.00 C ATOM 1283 O VAL B 107 1.446 -6.365 6.054 1.00 0.00 O ATOM 1284 CB VAL B 107 2.139 -4.120 4.274 1.00 0.00 C ATOM 1285 CG1 VAL B 107 0.707 -3.794 3.866 1.00 0.00 C ATOM 1286 CG2 VAL B 107 2.378 -3.680 5.734 1.00 0.00 C ATOM 0 H VAL B 107 0.645 -6.172 3.236 1.00 0.00 H new ATOM 0 HA VAL B 107 3.514 -5.601 3.612 1.00 0.00 H new ATOM 0 HB VAL B 107 2.811 -3.556 3.628 1.00 0.00 H new ATOM 0 HG11 VAL B 107 0.507 -2.738 4.050 1.00 0.00 H new ATOM 0 HG12 VAL B 107 0.573 -4.009 2.806 1.00 0.00 H new ATOM 0 HG13 VAL B 107 0.015 -4.401 4.450 1.00 0.00 H new ATOM 0 HG21 VAL B 107 2.108 -2.630 5.846 1.00 0.00 H new ATOM 0 HG22 VAL B 107 1.765 -4.285 6.401 1.00 0.00 H new ATOM 0 HG23 VAL B 107 3.430 -3.814 5.987 1.00 0.00 H new ATOM 1296 N THR B 108 3.490 -7.176 5.654 1.00 0.00 N ATOM 1297 CA THR B 108 3.496 -7.976 6.864 1.00 0.00 C ATOM 1298 C THR B 108 3.607 -7.084 8.107 1.00 0.00 C ATOM 1299 O THR B 108 4.702 -6.762 8.568 1.00 0.00 O ATOM 1300 CB THR B 108 4.615 -9.015 6.788 1.00 0.00 C ATOM 1301 OG1 THR B 108 5.877 -8.409 6.564 1.00 0.00 O ATOM 1302 CG2 THR B 108 4.394 -10.040 5.701 1.00 0.00 C ATOM 0 H THR B 108 4.334 -7.254 5.086 1.00 0.00 H new ATOM 0 HA THR B 108 2.551 -8.512 6.951 1.00 0.00 H new ATOM 0 HB THR B 108 4.601 -9.516 7.756 1.00 0.00 H new ATOM 0 HG1 THR B 108 6.011 -7.684 7.210 1.00 0.00 H new ATOM 0 HG21 THR B 108 5.221 -10.750 5.697 1.00 0.00 H new ATOM 0 HG22 THR B 108 3.461 -10.571 5.886 1.00 0.00 H new ATOM 0 HG23 THR B 108 4.341 -9.539 4.734 1.00 0.00 H new ATOM 1310 N VAL B 109 2.444 -6.671 8.627 1.00 0.00 N ATOM 1311 CA VAL B 109 2.373 -5.796 9.799 1.00 0.00 C ATOM 1312 C VAL B 109 2.500 -6.583 11.114 1.00 0.00 C ATOM 1313 O VAL B 109 3.451 -7.348 11.262 1.00 0.00 O ATOM 1314 CB VAL B 109 1.090 -4.926 9.795 1.00 0.00 C ATOM 1315 CG1 VAL B 109 1.232 -3.762 10.767 1.00 0.00 C ATOM 1316 CG2 VAL B 109 0.808 -4.393 8.402 1.00 0.00 C ATOM 0 H VAL B 109 1.534 -6.933 8.249 1.00 0.00 H new ATOM 0 HA VAL B 109 3.228 -5.123 9.735 1.00 0.00 H new ATOM 0 HB VAL B 109 0.257 -5.554 10.109 1.00 0.00 H new ATOM 0 HG11 VAL B 109 0.322 -3.162 10.751 1.00 0.00 H new ATOM 0 HG12 VAL B 109 1.396 -4.147 11.774 1.00 0.00 H new ATOM 0 HG13 VAL B 109 2.080 -3.143 10.473 1.00 0.00 H new ATOM 0 HG21 VAL B 109 -0.097 -3.785 8.421 1.00 0.00 H new ATOM 0 HG22 VAL B 109 1.648 -3.783 8.069 1.00 0.00 H new ATOM 0 HG23 VAL B 109 0.670 -5.227 7.714 1.00 0.00 H new ATOM 1326 N ASP B 110 1.602 -6.339 12.099 1.00 0.00 N ATOM 1327 CA ASP B 110 1.691 -6.968 13.432 1.00 0.00 C ATOM 1328 C ASP B 110 2.614 -6.106 14.307 1.00 0.00 C ATOM 1329 O ASP B 110 2.805 -6.356 15.498 1.00 0.00 O ATOM 1330 CB ASP B 110 2.209 -8.404 13.343 1.00 0.00 C ATOM 1331 CG ASP B 110 2.287 -9.126 14.682 1.00 0.00 C ATOM 1332 OD1 ASP B 110 1.392 -8.925 15.531 1.00 0.00 O ATOM 1333 OD2 ASP B 110 3.247 -9.910 14.869 1.00 0.00 O ATOM 0 H ASP B 110 0.807 -5.709 11.991 1.00 0.00 H new ATOM 0 HA ASP B 110 0.696 -7.022 13.875 1.00 0.00 H new ATOM 0 HB2 ASP B 110 1.561 -8.971 12.675 1.00 0.00 H new ATOM 0 HB3 ASP B 110 3.201 -8.393 12.891 1.00 0.00 H new ATOM 1338 N SER B 111 3.167 -5.067 13.680 1.00 0.00 N ATOM 1339 CA SER B 111 4.051 -4.122 14.337 1.00 0.00 C ATOM 1340 C SER B 111 3.710 -2.686 13.918 1.00 0.00 C ATOM 1341 O SER B 111 3.421 -1.852 14.772 1.00 0.00 O ATOM 1342 CB SER B 111 5.516 -4.443 14.014 1.00 0.00 C ATOM 1343 OG SER B 111 5.871 -5.750 14.467 1.00 0.00 O ATOM 0 H SER B 111 3.008 -4.862 12.694 1.00 0.00 H new ATOM 0 HA SER B 111 3.909 -4.209 15.414 1.00 0.00 H new ATOM 0 HB2 SER B 111 5.678 -4.372 12.938 1.00 0.00 H new ATOM 0 HB3 SER B 111 6.165 -3.704 14.484 1.00 0.00 H new ATOM 0 HG SER B 111 5.127 -6.133 14.978 1.00 0.00 H new ATOM 1349 N ASP B 112 3.786 -2.395 12.605 1.00 0.00 N ATOM 1350 CA ASP B 112 3.528 -1.049 12.081 1.00 0.00 C ATOM 1351 C ASP B 112 2.252 -0.390 12.663 1.00 0.00 C ATOM 1352 O ASP B 112 2.327 0.293 13.690 1.00 0.00 O ATOM 1353 CB ASP B 112 3.488 -1.097 10.549 1.00 0.00 C ATOM 1354 CG ASP B 112 4.539 -2.020 9.959 1.00 0.00 C ATOM 1355 OD1 ASP B 112 4.413 -3.251 10.139 1.00 0.00 O ATOM 1356 OD2 ASP B 112 5.484 -1.514 9.321 1.00 0.00 O ATOM 0 H ASP B 112 4.025 -3.081 11.889 1.00 0.00 H new ATOM 0 HA ASP B 112 4.350 -0.411 12.406 1.00 0.00 H new ATOM 0 HB2 ASP B 112 2.500 -1.426 10.227 1.00 0.00 H new ATOM 0 HB3 ASP B 112 3.633 -0.091 10.155 1.00 0.00 H new ATOM 1361 N SER B 113 1.087 -0.553 12.010 1.00 0.00 N ATOM 1362 CA SER B 113 -0.173 0.061 12.485 1.00 0.00 C ATOM 1363 C SER B 113 -1.336 -0.277 11.530 1.00 0.00 C ATOM 1364 O SER B 113 -2.212 0.548 11.277 1.00 0.00 O ATOM 1365 CB SER B 113 -0.025 1.584 12.583 1.00 0.00 C ATOM 1366 OG SER B 113 0.295 1.986 13.903 1.00 0.00 O ATOM 0 H SER B 113 0.989 -1.101 11.156 1.00 0.00 H new ATOM 0 HA SER B 113 -0.392 -0.344 13.473 1.00 0.00 H new ATOM 0 HB2 SER B 113 0.754 1.921 11.899 1.00 0.00 H new ATOM 0 HB3 SER B 113 -0.953 2.063 12.270 1.00 0.00 H new ATOM 0 HG SER B 113 1.095 1.508 14.206 1.00 0.00 H new ATOM 1372 N TYR B 114 -1.313 -1.496 10.997 1.00 0.00 N ATOM 1373 CA TYR B 114 -2.325 -1.982 10.045 1.00 0.00 C ATOM 1374 C TYR B 114 -3.592 -2.490 10.726 1.00 0.00 C ATOM 1375 O TYR B 114 -4.705 -2.201 10.281 1.00 0.00 O ATOM 1376 CB TYR B 114 -1.707 -3.103 9.232 1.00 0.00 C ATOM 1377 CG TYR B 114 -2.604 -4.296 9.014 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -3.524 -4.299 7.987 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -2.502 -5.427 9.811 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -4.323 -5.390 7.742 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -3.292 -6.532 9.575 1.00 0.00 C ATOM 1382 CZ TYR B 114 -4.201 -6.515 8.537 1.00 0.00 C ATOM 1383 OH TYR B 114 -4.980 -7.621 8.292 1.00 0.00 O ATOM 0 H TYR B 114 -0.590 -2.183 11.211 1.00 0.00 H new ATOM 0 HA TYR B 114 -2.624 -1.144 9.416 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -1.410 -2.707 8.261 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -0.798 -3.437 9.732 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -3.619 -3.424 7.361 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -1.795 -5.442 10.627 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -5.040 -5.369 6.935 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -3.200 -7.408 10.200 1.00 0.00 H new ATOM 0 HH TYR B 114 -4.767 -8.322 8.943 1.00 0.00 H new ATOM 1393 N GLN B 115 -3.412 -3.296 11.769 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.535 -3.908 12.472 1.00 0.00 C ATOM 1395 C GLN B 115 -5.633 -2.902 12.834 1.00 0.00 C ATOM 1396 O GLN B 115 -6.801 -3.260 12.825 1.00 0.00 O ATOM 1397 CB GLN B 115 -4.040 -4.619 13.737 1.00 0.00 C ATOM 1398 CG GLN B 115 -2.875 -3.918 14.420 1.00 0.00 C ATOM 1399 CD GLN B 115 -3.005 -3.913 15.929 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -3.910 -3.293 16.483 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -2.105 -4.610 16.604 1.00 0.00 N ATOM 0 H GLN B 115 -2.497 -3.541 12.146 1.00 0.00 H new ATOM 0 HA GLN B 115 -4.979 -4.631 11.788 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -4.866 -4.702 14.443 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -3.739 -5.634 13.478 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -1.944 -4.411 14.140 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -2.812 -2.891 14.061 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -1.369 -5.111 16.106 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -2.147 -4.646 17.622 1.00 0.00 H new ATOM 1410 N LEU B 116 -5.274 -1.662 13.160 1.00 0.00 N ATOM 1411 CA LEU B 116 -6.283 -0.657 13.524 1.00 0.00 C ATOM 1412 C LEU B 116 -7.292 -0.405 12.389 1.00 0.00 C ATOM 1413 O LEU B 116 -8.499 -0.525 12.595 1.00 0.00 O ATOM 1414 CB LEU B 116 -5.605 0.661 13.903 1.00 0.00 C ATOM 1415 CG LEU B 116 -5.845 1.128 15.340 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -4.744 2.078 15.783 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -7.204 1.797 15.462 1.00 0.00 C ATOM 0 H LEU B 116 -4.310 -1.328 13.181 1.00 0.00 H new ATOM 0 HA LEU B 116 -6.832 -1.053 14.378 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.531 0.557 13.746 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -5.952 1.438 13.223 1.00 0.00 H new ATOM 0 HG LEU B 116 -5.830 0.255 15.992 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -4.931 2.400 16.807 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -3.782 1.568 15.733 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -4.728 2.948 15.127 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -7.358 2.123 16.491 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -7.246 2.660 14.798 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -7.985 1.088 15.185 1.00 0.00 H new ATOM 1429 N LEU B 117 -6.792 -0.021 11.209 1.00 0.00 N ATOM 1430 CA LEU B 117 -7.704 0.275 10.085 1.00 0.00 C ATOM 1431 C LEU B 117 -8.660 -0.888 9.818 1.00 0.00 C ATOM 1432 O LEU B 117 -9.855 -0.687 9.582 1.00 0.00 O ATOM 1433 CB LEU B 117 -6.983 0.666 8.806 1.00 0.00 C ATOM 1434 CG LEU B 117 -7.506 1.973 8.191 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -6.377 2.887 7.795 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -8.392 1.696 6.997 1.00 0.00 C ATOM 0 H LEU B 117 -5.799 0.091 11.005 1.00 0.00 H new ATOM 0 HA LEU B 117 -8.281 1.144 10.401 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -5.918 0.771 9.014 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -7.088 -0.138 8.077 1.00 0.00 H new ATOM 0 HG LEU B 117 -8.098 2.474 8.957 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -6.784 3.802 7.364 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -5.783 3.134 8.675 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -5.746 2.388 7.059 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -8.748 2.639 6.582 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -7.823 1.157 6.239 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -9.244 1.092 7.309 1.00 0.00 H new ATOM 1448 N LYS B 118 -8.140 -2.099 9.897 1.00 0.00 N ATOM 1449 CA LYS B 118 -8.956 -3.295 9.700 1.00 0.00 C ATOM 1450 C LYS B 118 -9.752 -3.604 10.965 1.00 0.00 C ATOM 1451 O LYS B 118 -10.834 -4.192 10.913 1.00 0.00 O ATOM 1452 CB LYS B 118 -8.070 -4.476 9.323 1.00 0.00 C ATOM 1453 CG LYS B 118 -7.064 -4.810 10.397 1.00 0.00 C ATOM 1454 CD LYS B 118 -6.812 -6.307 10.470 1.00 0.00 C ATOM 1455 CE LYS B 118 -6.180 -6.712 11.791 1.00 0.00 C ATOM 1456 NZ LYS B 118 -6.914 -7.840 12.431 1.00 0.00 N ATOM 0 H LYS B 118 -7.157 -2.286 10.096 1.00 0.00 H new ATOM 0 HA LYS B 118 -9.658 -3.114 8.886 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -8.695 -5.348 9.131 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -7.545 -4.250 8.395 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -6.127 -4.291 10.195 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -7.426 -4.452 11.361 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -7.754 -6.840 10.340 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -6.160 -6.606 9.649 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -5.142 -7.001 11.624 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -6.168 -5.856 12.466 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -6.454 -8.088 13.330 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -7.898 -7.555 12.613 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -6.904 -8.665 11.797 1.00 0.00 H new ATOM 1470 N ALA B 119 -9.205 -3.172 12.094 1.00 0.00 N ATOM 1471 CA ALA B 119 -9.837 -3.349 13.395 1.00 0.00 C ATOM 1472 C ALA B 119 -11.168 -2.616 13.423 1.00 0.00 C ATOM 1473 O ALA B 119 -12.101 -3.040 14.105 1.00 0.00 O ATOM 1474 CB ALA B 119 -8.931 -2.852 14.515 1.00 0.00 C ATOM 0 H ALA B 119 -8.308 -2.688 12.133 1.00 0.00 H new ATOM 0 HA ALA B 119 -10.011 -4.413 13.555 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -9.427 -2.996 15.475 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -7.996 -3.412 14.502 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -8.721 -1.792 14.370 1.00 0.00 H new ATOM 1480 N TYR B 120 -11.260 -1.526 12.654 1.00 0.00 N ATOM 1481 CA TYR B 120 -12.494 -0.779 12.585 1.00 0.00 C ATOM 1482 C TYR B 120 -13.385 -1.358 11.492 1.00 0.00 C ATOM 1483 O TYR B 120 -14.568 -1.566 11.748 1.00 0.00 O ATOM 1484 CB TYR B 120 -12.251 0.744 12.454 1.00 0.00 C ATOM 1485 CG TYR B 120 -11.884 1.296 11.085 1.00 0.00 C ATOM 1486 CD1 TYR B 120 -12.644 1.035 9.946 1.00 0.00 C ATOM 1487 CD2 TYR B 120 -10.775 2.128 10.948 1.00 0.00 C ATOM 1488 CE1 TYR B 120 -12.302 1.577 8.724 1.00 0.00 C ATOM 1489 CE2 TYR B 120 -10.430 2.668 9.729 1.00 0.00 C ATOM 1490 CZ TYR B 120 -11.194 2.388 8.620 1.00 0.00 C ATOM 1491 OH TYR B 120 -10.863 2.937 7.406 1.00 0.00 O ATOM 0 H TYR B 120 -10.500 -1.155 12.083 1.00 0.00 H new ATOM 0 HA TYR B 120 -13.029 -0.888 13.529 1.00 0.00 H new ATOM 0 HB2 TYR B 120 -13.153 1.256 12.789 1.00 0.00 H new ATOM 0 HB3 TYR B 120 -11.455 1.015 13.147 1.00 0.00 H new ATOM 0 HD1 TYR B 120 -13.514 0.399 10.021 1.00 0.00 H new ATOM 0 HD2 TYR B 120 -10.173 2.354 11.816 1.00 0.00 H new ATOM 0 HE1 TYR B 120 -12.902 1.366 7.851 1.00 0.00 H new ATOM 0 HE2 TYR B 120 -9.564 3.308 9.644 1.00 0.00 H new ATOM 0 HH TYR B 120 -10.292 3.721 7.546 1.00 0.00 H new ATOM 1501 N ASP B 121 -12.811 -1.673 10.301 1.00 0.00 N ATOM 1502 CA ASP B 121 -13.597 -2.292 9.204 1.00 0.00 C ATOM 1503 C ASP B 121 -12.954 -2.141 7.822 1.00 0.00 C ATOM 1504 O ASP B 121 -13.641 -2.310 6.813 1.00 0.00 O ATOM 1505 CB ASP B 121 -15.013 -1.691 9.117 1.00 0.00 C ATOM 1506 CG ASP B 121 -16.062 -2.728 8.772 1.00 0.00 C ATOM 1507 OD1 ASP B 121 -16.027 -3.831 9.355 1.00 0.00 O ATOM 1508 OD2 ASP B 121 -16.922 -2.435 7.915 1.00 0.00 O ATOM 0 H ASP B 121 -11.828 -1.512 10.080 1.00 0.00 H new ATOM 0 HA ASP B 121 -13.632 -3.351 9.461 1.00 0.00 H new ATOM 0 HB2 ASP B 121 -15.266 -1.226 10.070 1.00 0.00 H new ATOM 0 HB3 ASP B 121 -15.024 -0.903 8.364 1.00 0.00 H new ATOM 1513 N VAL B 122 -11.674 -1.792 7.745 1.00 0.00 N ATOM 1514 CA VAL B 122 -11.053 -1.586 6.446 1.00 0.00 C ATOM 1515 C VAL B 122 -9.556 -1.808 6.466 1.00 0.00 C ATOM 1516 O VAL B 122 -8.805 -0.888 6.760 1.00 0.00 O ATOM 1517 CB VAL B 122 -11.322 -0.137 5.992 1.00 0.00 C ATOM 1518 CG1 VAL B 122 -10.523 0.222 4.746 1.00 0.00 C ATOM 1519 CG2 VAL B 122 -12.801 0.091 5.757 1.00 0.00 C ATOM 0 H VAL B 122 -11.060 -1.649 8.547 1.00 0.00 H new ATOM 0 HA VAL B 122 -11.487 -2.315 5.761 1.00 0.00 H new ATOM 0 HB VAL B 122 -10.993 0.520 6.797 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -10.740 1.251 4.458 1.00 0.00 H new ATOM 0 HG12 VAL B 122 -9.458 0.121 4.955 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -10.798 -0.448 3.932 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -12.964 1.120 5.438 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -13.156 -0.590 4.983 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -13.349 -0.093 6.681 1.00 0.00 H new ATOM 1529 N ASN B 123 -9.111 -3.019 6.148 1.00 0.00 N ATOM 1530 CA ASN B 123 -7.685 -3.290 6.105 1.00 0.00 C ATOM 1531 C ASN B 123 -7.061 -2.288 5.118 1.00 0.00 C ATOM 1532 O ASN B 123 -6.781 -1.146 5.476 1.00 0.00 O ATOM 1533 CB ASN B 123 -7.419 -4.754 5.688 1.00 0.00 C ATOM 1534 CG ASN B 123 -8.192 -5.765 6.523 1.00 0.00 C ATOM 1535 OD1 ASN B 123 -9.370 -5.574 6.812 1.00 0.00 O ATOM 1536 ND2 ASN B 123 -7.535 -6.849 6.914 1.00 0.00 N ATOM 0 H ASN B 123 -9.708 -3.814 5.920 1.00 0.00 H new ATOM 0 HA ASN B 123 -7.234 -3.168 7.090 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -7.685 -4.880 4.638 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -6.352 -4.961 5.774 1.00 0.00 H new ATOM 0 HD21 ASN B 123 -8.008 -7.558 7.474 1.00 0.00 H new ATOM 0 HD22 ASN B 123 -6.556 -6.974 6.655 1.00 0.00 H new ATOM 1543 N ILE B 124 -6.840 -2.699 3.882 1.00 0.00 N ATOM 1544 CA ILE B 124 -6.257 -1.776 2.913 1.00 0.00 C ATOM 1545 C ILE B 124 -6.806 -1.906 1.500 1.00 0.00 C ATOM 1546 O ILE B 124 -6.359 -1.174 0.624 1.00 0.00 O ATOM 1547 CB ILE B 124 -4.719 -1.857 2.853 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -4.214 -3.001 3.702 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -4.102 -0.549 3.312 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.812 -4.313 3.287 1.00 0.00 C ATOM 0 H ILE B 124 -7.046 -3.634 3.529 1.00 0.00 H new ATOM 0 HA ILE B 124 -6.558 -0.801 3.297 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.425 -2.038 1.819 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -3.128 -3.057 3.627 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -4.451 -2.809 4.748 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -3.016 -0.623 3.264 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -4.440 0.260 2.664 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -4.407 -0.343 4.338 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -4.422 -5.108 3.923 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -5.896 -4.267 3.388 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -4.553 -4.519 2.249 1.00 0.00 H new ATOM 1562 N SER B 125 -7.729 -2.841 1.256 1.00 0.00 N ATOM 1563 CA SER B 125 -8.245 -3.026 -0.104 1.00 0.00 C ATOM 1564 C SER B 125 -8.429 -1.658 -0.795 1.00 0.00 C ATOM 1565 O SER B 125 -7.716 -1.331 -1.762 1.00 0.00 O ATOM 1566 CB SER B 125 -9.569 -3.808 -0.069 1.00 0.00 C ATOM 1567 OG SER B 125 -10.447 -3.400 -1.106 1.00 0.00 O ATOM 0 H SER B 125 -8.125 -3.465 1.959 1.00 0.00 H new ATOM 0 HA SER B 125 -7.524 -3.605 -0.681 1.00 0.00 H new ATOM 0 HB2 SER B 125 -9.364 -4.874 -0.164 1.00 0.00 H new ATOM 0 HB3 SER B 125 -10.053 -3.661 0.897 1.00 0.00 H new ATOM 0 HG SER B 125 -11.277 -3.918 -1.055 1.00 0.00 H new ATOM 1573 N GLY B 126 -9.340 -0.838 -0.261 1.00 0.00 N ATOM 1574 CA GLY B 126 -9.564 0.497 -0.806 1.00 0.00 C ATOM 1575 C GLY B 126 -8.598 1.526 -0.238 1.00 0.00 C ATOM 1576 O GLY B 126 -8.293 2.526 -0.891 1.00 0.00 O ATOM 0 H GLY B 126 -9.926 -1.075 0.539 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -9.460 0.466 -1.891 1.00 0.00 H new ATOM 0 HA3 GLY B 126 -10.587 0.807 -0.592 1.00 0.00 H new ATOM 1580 N LEU B 127 -8.109 1.270 0.978 1.00 0.00 N ATOM 1581 CA LEU B 127 -7.168 2.146 1.647 1.00 0.00 C ATOM 1582 C LEU B 127 -5.875 2.256 0.848 1.00 0.00 C ATOM 1583 O LEU B 127 -5.488 3.342 0.410 1.00 0.00 O ATOM 1584 CB LEU B 127 -6.858 1.575 3.033 1.00 0.00 C ATOM 1585 CG LEU B 127 -6.542 2.582 4.131 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -5.213 2.231 4.766 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -6.523 3.996 3.584 1.00 0.00 C ATOM 0 H LEU B 127 -8.361 0.444 1.521 1.00 0.00 H new ATOM 0 HA LEU B 127 -7.609 3.139 1.735 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -7.711 0.978 3.354 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -6.011 0.896 2.940 1.00 0.00 H new ATOM 0 HG LEU B 127 -7.324 2.537 4.889 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -4.984 2.950 5.552 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -5.267 1.230 5.194 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -4.429 2.260 4.009 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -6.295 4.695 4.389 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -5.762 4.076 2.808 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -7.499 4.236 3.161 1.00 0.00 H new ATOM 1599 N VAL B 128 -5.214 1.110 0.672 1.00 0.00 N ATOM 1600 CA VAL B 128 -3.961 1.038 -0.064 1.00 0.00 C ATOM 1601 C VAL B 128 -4.074 1.761 -1.412 1.00 0.00 C ATOM 1602 O VAL B 128 -3.435 2.789 -1.621 1.00 0.00 O ATOM 1603 CB VAL B 128 -3.535 -0.446 -0.225 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -2.975 -0.766 -1.605 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -2.538 -0.796 0.866 1.00 0.00 C ATOM 0 H VAL B 128 -5.535 0.213 1.036 1.00 0.00 H new ATOM 0 HA VAL B 128 -3.181 1.552 0.499 1.00 0.00 H new ATOM 0 HB VAL B 128 -4.429 -1.061 -0.125 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -2.697 -1.819 -1.650 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -3.731 -0.558 -2.362 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -2.095 -0.150 -1.792 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -2.233 -1.837 0.760 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -1.663 -0.152 0.780 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -3.001 -0.651 1.842 1.00 0.00 H new ATOM 1615 N SER B 129 -4.897 1.230 -2.307 1.00 0.00 N ATOM 1616 CA SER B 129 -5.101 1.832 -3.625 1.00 0.00 C ATOM 1617 C SER B 129 -5.395 3.338 -3.538 1.00 0.00 C ATOM 1618 O SER B 129 -4.949 4.106 -4.397 1.00 0.00 O ATOM 1619 CB SER B 129 -6.257 1.136 -4.337 1.00 0.00 C ATOM 1620 OG SER B 129 -7.486 1.388 -3.678 1.00 0.00 O ATOM 0 H SER B 129 -5.438 0.380 -2.146 1.00 0.00 H new ATOM 0 HA SER B 129 -4.175 1.704 -4.186 1.00 0.00 H new ATOM 0 HB2 SER B 129 -6.316 1.484 -5.368 1.00 0.00 H new ATOM 0 HB3 SER B 129 -6.073 0.062 -4.373 1.00 0.00 H new ATOM 0 HG SER B 129 -8.228 1.093 -4.246 1.00 0.00 H new ATOM 1626 N THR B 130 -6.112 3.765 -2.495 1.00 0.00 N ATOM 1627 CA THR B 130 -6.427 5.176 -2.310 1.00 0.00 C ATOM 1628 C THR B 130 -5.175 5.925 -1.929 1.00 0.00 C ATOM 1629 O THR B 130 -4.810 6.923 -2.560 1.00 0.00 O ATOM 1630 CB THR B 130 -7.480 5.360 -1.217 1.00 0.00 C ATOM 1631 OG1 THR B 130 -8.725 4.841 -1.633 1.00 0.00 O ATOM 1632 CG2 THR B 130 -7.692 6.807 -0.821 1.00 0.00 C ATOM 0 H THR B 130 -6.483 3.152 -1.769 1.00 0.00 H new ATOM 0 HA THR B 130 -6.825 5.567 -3.246 1.00 0.00 H new ATOM 0 HB THR B 130 -7.095 4.820 -0.352 1.00 0.00 H new ATOM 0 HG1 THR B 130 -8.655 3.870 -1.741 1.00 0.00 H new ATOM 0 HG21 THR B 130 -8.452 6.863 -0.042 1.00 0.00 H new ATOM 0 HG22 THR B 130 -6.757 7.222 -0.446 1.00 0.00 H new ATOM 0 HG23 THR B 130 -8.020 7.378 -1.690 1.00 0.00 H new ATOM 1640 N THR B 131 -4.515 5.441 -0.882 1.00 0.00 N ATOM 1641 CA THR B 131 -3.306 6.079 -0.418 1.00 0.00 C ATOM 1642 C THR B 131 -2.219 6.037 -1.485 1.00 0.00 C ATOM 1643 O THR B 131 -1.504 7.020 -1.689 1.00 0.00 O ATOM 1644 CB THR B 131 -2.802 5.473 0.894 1.00 0.00 C ATOM 1645 OG1 THR B 131 -2.224 6.484 1.695 1.00 0.00 O ATOM 1646 CG2 THR B 131 -1.761 4.388 0.719 1.00 0.00 C ATOM 0 H THR B 131 -4.799 4.619 -0.350 1.00 0.00 H new ATOM 0 HA THR B 131 -3.553 7.122 -0.220 1.00 0.00 H new ATOM 0 HB THR B 131 -3.679 5.022 1.358 1.00 0.00 H new ATOM 0 HG1 THR B 131 -1.702 6.072 2.415 1.00 0.00 H new ATOM 0 HG21 THR B 131 -1.458 4.013 1.697 1.00 0.00 H new ATOM 0 HG22 THR B 131 -2.181 3.572 0.132 1.00 0.00 H new ATOM 0 HG23 THR B 131 -0.893 4.797 0.202 1.00 0.00 H new ATOM 1654 N MET B 132 -2.102 4.902 -2.171 1.00 0.00 N ATOM 1655 CA MET B 132 -1.105 4.755 -3.215 1.00 0.00 C ATOM 1656 C MET B 132 -1.259 5.832 -4.285 1.00 0.00 C ATOM 1657 O MET B 132 -0.290 6.498 -4.623 1.00 0.00 O ATOM 1658 CB MET B 132 -1.177 3.365 -3.834 1.00 0.00 C ATOM 1659 CG MET B 132 -0.253 2.373 -3.155 1.00 0.00 C ATOM 1660 SD MET B 132 -1.110 1.299 -2.008 1.00 0.00 S ATOM 1661 CE MET B 132 0.031 -0.069 -1.938 1.00 0.00 C ATOM 0 H MET B 132 -2.684 4.078 -2.020 1.00 0.00 H new ATOM 0 HA MET B 132 -0.123 4.879 -2.759 1.00 0.00 H new ATOM 0 HB2 MET B 132 -2.202 2.999 -3.776 1.00 0.00 H new ATOM 0 HB3 MET B 132 -0.921 3.429 -4.891 1.00 0.00 H new ATOM 0 HG2 MET B 132 0.241 1.766 -3.914 1.00 0.00 H new ATOM 0 HG3 MET B 132 0.528 2.916 -2.623 1.00 0.00 H new ATOM 0 HE1 MET B 132 -0.028 -0.543 -0.958 1.00 0.00 H new ATOM 0 HE2 MET B 132 -0.225 -0.796 -2.709 1.00 0.00 H new ATOM 0 HE3 MET B 132 1.045 0.294 -2.105 1.00 0.00 H new ATOM 1671 N GLN B 133 -2.470 6.009 -4.817 1.00 0.00 N ATOM 1672 CA GLN B 133 -2.701 7.025 -5.850 1.00 0.00 C ATOM 1673 C GLN B 133 -2.266 8.410 -5.367 1.00 0.00 C ATOM 1674 O GLN B 133 -1.674 9.179 -6.125 1.00 0.00 O ATOM 1675 CB GLN B 133 -4.173 7.051 -6.278 1.00 0.00 C ATOM 1676 CG GLN B 133 -4.589 8.340 -6.990 1.00 0.00 C ATOM 1677 CD GLN B 133 -5.514 9.242 -6.179 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -5.567 9.055 -4.862 1.00 0.00 O flip ATOM 1679 NE2 GLN B 133 -6.169 10.122 -6.739 1.00 0.00 N flip ATOM 0 H GLN B 133 -3.296 5.471 -4.556 1.00 0.00 H new ATOM 0 HA GLN B 133 -2.095 6.757 -6.715 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -4.364 6.205 -6.938 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -4.800 6.916 -5.397 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -3.692 8.902 -7.251 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -5.085 8.080 -7.925 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -6.106 10.239 -7.750 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -6.774 10.734 -6.191 1.00 0.00 H new ATOM 1688 N ASN B 134 -2.532 8.708 -4.098 1.00 0.00 N ATOM 1689 CA ASN B 134 -2.136 9.988 -3.521 1.00 0.00 C ATOM 1690 C ASN B 134 -0.613 10.041 -3.405 1.00 0.00 C ATOM 1691 O ASN B 134 0.016 11.004 -3.850 1.00 0.00 O ATOM 1692 CB ASN B 134 -2.854 10.200 -2.171 1.00 0.00 C ATOM 1693 CG ASN B 134 -1.928 10.428 -0.993 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -1.092 11.330 -1.007 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -2.095 9.623 0.046 1.00 0.00 N ATOM 0 H ASN B 134 -3.017 8.084 -3.453 1.00 0.00 H new ATOM 0 HA ASN B 134 -2.439 10.811 -4.168 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -3.524 11.055 -2.261 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -3.476 9.329 -1.964 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -1.517 9.738 0.879 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -2.801 8.888 0.013 1.00 0.00 H new ATOM 1702 N GLU B 135 -0.024 8.973 -2.871 1.00 0.00 N ATOM 1703 CA GLU B 135 1.429 8.880 -2.767 1.00 0.00 C ATOM 1704 C GLU B 135 2.045 8.808 -4.171 1.00 0.00 C ATOM 1705 O GLU B 135 3.176 9.244 -4.385 1.00 0.00 O ATOM 1706 CB GLU B 135 1.824 7.647 -1.941 1.00 0.00 C ATOM 1707 CG GLU B 135 2.254 7.953 -0.507 1.00 0.00 C ATOM 1708 CD GLU B 135 1.793 9.307 -0.005 1.00 0.00 C ATOM 1709 OE1 GLU B 135 0.680 9.390 0.555 1.00 0.00 O ATOM 1710 OE2 GLU B 135 2.551 10.284 -0.164 1.00 0.00 O ATOM 0 H GLU B 135 -0.528 8.165 -2.506 1.00 0.00 H new ATOM 0 HA GLU B 135 1.809 9.767 -2.261 1.00 0.00 H new ATOM 0 HB2 GLU B 135 0.980 6.958 -1.914 1.00 0.00 H new ATOM 0 HB3 GLU B 135 2.639 7.132 -2.449 1.00 0.00 H new ATOM 0 HG2 GLU B 135 1.862 7.179 0.153 1.00 0.00 H new ATOM 0 HG3 GLU B 135 3.341 7.904 -0.445 1.00 0.00 H new ATOM 1717 N ALA B 136 1.274 8.274 -5.131 1.00 0.00 N ATOM 1718 CA ALA B 136 1.705 8.157 -6.522 1.00 0.00 C ATOM 1719 C ALA B 136 1.679 9.520 -7.209 1.00 0.00 C ATOM 1720 O ALA B 136 2.671 9.951 -7.795 1.00 0.00 O ATOM 1721 CB ALA B 136 0.798 7.175 -7.260 1.00 0.00 C ATOM 0 H ALA B 136 0.336 7.913 -4.959 1.00 0.00 H new ATOM 0 HA ALA B 136 2.729 7.784 -6.543 1.00 0.00 H new ATOM 0 HB1 ALA B 136 1.122 7.090 -8.297 1.00 0.00 H new ATOM 0 HB2 ALA B 136 0.854 6.198 -6.781 1.00 0.00 H new ATOM 0 HB3 ALA B 136 -0.230 7.536 -7.229 1.00 0.00 H new ATOM 1727 N ARG B 137 0.541 10.206 -7.122 1.00 0.00 N ATOM 1728 CA ARG B 137 0.406 11.524 -7.716 1.00 0.00 C ATOM 1729 C ARG B 137 1.495 12.441 -7.230 1.00 0.00 C ATOM 1730 O ARG B 137 2.151 13.129 -8.012 1.00 0.00 O ATOM 1731 CB ARG B 137 -0.906 12.151 -7.305 1.00 0.00 C ATOM 1732 CG ARG B 137 -2.060 11.900 -8.260 1.00 0.00 C ATOM 1733 CD ARG B 137 -1.945 10.565 -8.991 1.00 0.00 C ATOM 1734 NE ARG B 137 -2.551 10.616 -10.328 1.00 0.00 N ATOM 1735 CZ ARG B 137 -1.875 10.561 -11.477 1.00 0.00 C ATOM 1736 NH1 ARG B 137 -0.557 10.467 -11.487 1.00 0.00 N ATOM 1737 NH2 ARG B 137 -2.526 10.608 -12.625 1.00 0.00 N ATOM 0 H ARG B 137 -0.296 9.868 -6.646 1.00 0.00 H new ATOM 0 HA ARG B 137 0.461 11.398 -8.797 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -1.180 11.774 -6.320 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -0.763 13.227 -7.206 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -2.997 11.925 -7.704 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -2.102 12.707 -8.992 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -0.894 10.289 -9.080 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -2.430 9.786 -8.402 1.00 0.00 H new ATOM 0 HE ARG B 137 -3.566 10.700 -10.382 1.00 0.00 H new ATOM 0 HH11 ARG B 137 -0.041 10.435 -10.608 1.00 0.00 H new ATOM 0 HH12 ARG B 137 -0.055 10.426 -12.374 1.00 0.00 H new ATOM 0 HH21 ARG B 137 -3.543 10.686 -12.632 1.00 0.00 H new ATOM 0 HH22 ARG B 137 -2.012 10.566 -13.505 1.00 0.00 H new ATOM 1751 N ARG B 138 1.647 12.480 -5.918 1.00 0.00 N ATOM 1752 CA ARG B 138 2.626 13.357 -5.321 1.00 0.00 C ATOM 1753 C ARG B 138 4.064 12.855 -5.517 1.00 0.00 C ATOM 1754 O ARG B 138 4.983 13.664 -5.633 1.00 0.00 O ATOM 1755 CB ARG B 138 2.334 13.585 -3.840 1.00 0.00 C ATOM 1756 CG ARG B 138 2.176 15.056 -3.492 1.00 0.00 C ATOM 1757 CD ARG B 138 0.821 15.590 -3.923 1.00 0.00 C ATOM 1758 NE ARG B 138 0.595 15.439 -5.364 1.00 0.00 N ATOM 1759 CZ ARG B 138 1.134 16.214 -6.296 1.00 0.00 C ATOM 1760 NH1 ARG B 138 1.955 17.192 -5.972 1.00 0.00 N ATOM 1761 NH2 ARG B 138 0.867 16.003 -7.567 1.00 0.00 N ATOM 0 H ARG B 138 1.110 11.920 -5.256 1.00 0.00 H new ATOM 0 HA ARG B 138 2.545 14.311 -5.842 1.00 0.00 H new ATOM 0 HB2 ARG B 138 1.423 13.052 -3.567 1.00 0.00 H new ATOM 0 HB3 ARG B 138 3.142 13.160 -3.245 1.00 0.00 H new ATOM 0 HG2 ARG B 138 2.296 15.191 -2.417 1.00 0.00 H new ATOM 0 HG3 ARG B 138 2.965 15.632 -3.976 1.00 0.00 H new ATOM 0 HD2 ARG B 138 0.036 15.066 -3.378 1.00 0.00 H new ATOM 0 HD3 ARG B 138 0.746 16.644 -3.654 1.00 0.00 H new ATOM 0 HE ARG B 138 -0.020 14.685 -5.671 1.00 0.00 H new ATOM 0 HH11 ARG B 138 2.184 17.362 -4.993 1.00 0.00 H new ATOM 0 HH12 ARG B 138 2.361 17.779 -6.700 1.00 0.00 H new ATOM 0 HH21 ARG B 138 0.244 15.242 -7.838 1.00 0.00 H new ATOM 0 HH22 ARG B 138 1.283 16.600 -8.281 1.00 0.00 H new